[ {"osti_id":"2287735","title":"The hydration, microstructure, and mechanical properties of vaterite calcined clay cement (VC3<\/sup>)","report_number":"LLNL-JRNL-849052","doi":"10.1016/j.cemconres.2023.107374","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Cement and Concrete Research; Journal Volume: 175","description":"Limestone (calcite) calcined clay cement (LC3<\/sup>) is a promising low-CO2<\/sub> binder, but the low activity of calcite cannot compensate the reduction in clinker factor, resulting in low one-day strength and limiting its broad applications. As recent carbon capture and utilization technologies allow scalable production of vaterite, a more reactive CaCO3<\/sub> polymorph, we overcome the challenge by introducing vaterite calcined clay cement (VC3<\/sup>), inspired by the vaterite-calcite phase change. In the present study, VC3<\/sup> exhibits higher compressive strengths and faster hydration than LC3<\/sup>. Compared to hydrated LC3<\/sup>, hydrated VC3<\/sup> exhibits increased amount of hemi- and mono-carboaluminate formation and decreased amount of strätlingite formation. With gypsum adjustment, the 1-day strength of VC3<\/sup> is higher than that of pure cement reference. Finally, VC3<\/sup>, a low-CO2<\/sub> binder, presents great potential as a host of the metastable CaCO3<\/sub> for carbon storage and utilization and as an enabler of carbon capture at gigaton scales.","availability":"External Audience (Unlimited)","publication_date":"2024-11-08T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Elsevier","journal_name":"Cement and Concrete Research","journal_volume":"175","format":"Medium: ED; Size: Article No. 107374","authors":["Li, Yaqiang [Beijing Forestry Univ. (China)]","Li, Yue [Beijing University of Technology (China)]","Ma, Hongyan [Missouri Univ. of Science and Technology, Rolla, MO (United States)]","Li, Jiaqi [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]"],"subjects":["36 MATERIALS SCIENCE","Carbon utilization","Carbon storage","CCUS","Bio-inspired","Low-CO2 cement"],"article_type":"Accepted Manuscript","doe_contract_number":"AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 0008-8846","other_identifiers":["Journal ID: ISSN 0008-8846; 1070121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287735"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287735"}]}, {"osti_id":"2246846","title":"Air quality impacts from the development of unconventional oil and gas well pads: Air toxics and other volatile organic compounds","report_number":"LA-UR-23-26481","doi":"10.1016/j.atmosenv.2023.120187","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Atmospheric Environment (1994); Journal Volume: 317","description":"Unconventional oil and natural gas development (UOGD) has expanded rapidly across the United States in recent decades and raised concerns about associated air quality impacts. While significant effort has been made to quantify methane emissions, relatively few observations have been made of Volatile Organic Compounds (VOCs), especially during drilling and completion of new wells. Extensive air monitoring during development of several large, multi-well pads in Broomfield, Colorado, in the Denver-Julesburg Basin, provides a novel opportunity to examine changes in local air toxics and other VOC concentrations during well drilling and completions and production. These operations offer an especially useful case to study as several management practices were implemented to reduce emissions (e.g., electrified, grid-powered drill rigs and closed loop fluid handling systems to reduce truck traffic and limit fluid handling on the pad). With simultaneous measurements of methane and 50 VOCs from October 2018 to December 2022 at as many as 19 sites near well pads, in adjacent neighborhoods, and at a more distant reference location, we identify impacts from each phase of well development and production. Use of weekly, time-integrated canisters, a Proton Transfer Reaction Mass Spectrometer (PTR-MS), continuous photoionization detectors (PID) to trigger canister collection upon detection of VOC-rich plumes, and an instrumented vehicle, provided a powerful suite of measurements to characterize both transient plumes and longer-term changes in air quality. Prior to the start of well development, VOC gradients were small across Broomfield. Once drilling commenced, concentrations of oil and gas (O&G) related VOCs, including alkanes and aromatics, increased around active well pads. Concentration increases were clearly apparent during certain operations, including drilling, coil tubing/millout operations, and production tubing installation. Emissions of C8<\/sub>–C10<\/sub> n-alkanes during drilling operations highlighted the importance of VOC emissions from synthetic drilling mud chosen to reduce odor impacts. More than 90 samples were collected of transient plumes. Using composition measurements, meteorological data, and information about well pad activities, these plumes were connected with specific UOGD operations including drilling, flowback, and production equipment maintenance. The chemical signatures of these plumes differed by operation type (e.g., C8<\/sub>–C10<\/sub> n-alkanes constituted a larger fraction of measured VOCs in drilling-related plumes). Concentrations of individual, oil and gas-related VOCs in these plumes were often several orders of magnitude higher than in background air, with maximum ethane and benzene concentrations of 79,600 and 819 ppbv, respectively. Because these plumes typically impact a monitoring site for just several minutes, they are easily missed by slower-responding instruments. Study measurements highlight future emission mitigation opportunities during UOGD operations, including better control of emissions from shakers that separate drill cuttings from drilling mud, production separator maintenance operations, and periodic emptying of sand cans during flowback operations.","publication_date":"2024-11-01T00:00:00Z","entry_date":"2024-01-18T00:00:00Z","publisher":"Elsevier","journal_name":"Atmospheric Environment (1994)","journal_volume":"317","format":"Medium: ED; Size: Article No. 120187","authors":["Ku, I-Ting [Colorado State University, Fort Collins, CO (United States)] (ORCID:000900030721647X)","Zhou, Yong [Colorado State University, Fort Collins, CO (United States)]","Hecobian, Arsineh [Colorado State University, Fort Collins, CO (United States)] (ORCID:0000000195114868)","Benedict, Katherine [Colorado State University, Fort Collins, CO (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000205308835)","Buck, Brent [Ajax Analytics, Inc., Fort Collins, CO (United States)]","Lachenmayer, Emily [Colorado State University, Fort Collins, CO (United States)] (ORCID:0009000516129014)","Terry, Bryan [Ajax Analytics, Inc., Fort Collins, CO (United States); Pennsylvania Department of Environmental Protection, Harrisburg, PA (United States)] (ORCID:0009000361691327)","Frazier, Morgan [Ajax Analytics, Inc., Fort Collins, CO (United States)]","Zhang, Jie [Colorado State University, Fort Collins, CO (United States); State University of New York (SUNY), Albany, NY (United States)]","Pan, Da [Colorado State University, Fort Collins, CO (United States)]","Low, Lena [Colorado State University, Fort Collins, CO (United States)] (ORCID:000900018333107X)","Sullivan, Amy [Colorado State University, Fort Collins, CO (United States)] (ORCID:0000000301438197)","Collett Jr., Jeffrey L. [Colorado State University, Fort Collins, CO (United States)]"],"subjects":["54 ENVIRONMENTAL SCIENCES","Earth Sciences","Unconventional oil and gas development","Denver-Julesburg Basin","Emissions","Drilling","Benzene","Photoionization detector (PID)"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 1352-2310","other_identifiers":["Journal ID: ISSN 1352-2310"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2246846"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2246846"}]}, {"osti_id":"2282516","title":"Operational and Mission Highlights A Monthly Summary of Top Achievements December 2023","report_number":"LA-UR-24-20493","doi":"10.2172/2282516","product_type":"Technical Report","language":"English","country_publication":"United States","description":"This report contains a summary of highlights and top achievements from Los Alamos National Laboratory from December 2023, including Nuclear Security, Science Technology & Engineering, Mission Operations, and Community Relations.","publication_date":"2024-12-01T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","format":"Medium: ED; Size: 16 p.","authors":["Anaya, Lillian Marie [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)]","Adkins, Kenneth Brian [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)]"],"subjects":["99 GENERAL AND MISCELLANEOUS"],"doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282516"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2282516"}]}, {"osti_id":"2007357","title":"Stochastic finite volume method for uncertainty quantification of transient flow in gas pipeline networks","report_number":"LA-UR-22-23349","doi":"10.1016/j.apm.2023.09.017","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Mathematical Modelling; Journal Volume: 125","description":"We develop a weakly intrusive framework to simulate the propagation of uncertainty in solutions of generic hyperbolic partial differential equation systems on graph-connected domains with nodal coupling and boundary conditions. The method is based on the Stochastic Finite Volume (SFV) approach and can be applied for uncertainty quantification (UQ) of the dynamical state of fluid flow over actuated transport networks. The numerical scheme has specific advantages for modeling intertemporal uncertainty in time-varying boundary parameters, which cannot be characterized by strict upper and lower (interval) bounds. We describe the scheme for a single pipe, and then formulate the controlled junction Riemann problem (JRP) that enables the extension to general network structures. In conclusion, we demonstrate the method\'s capabilities and performance characteristics using a standard benchmark test network.","publication_date":"2024-09-26T00:00:00Z","entry_date":"2023-11-20T00:00:00Z","publisher":"Elsevier","journal_name":"Applied Mathematical Modelling","journal_volume":"125","format":"Medium: ED; Size: p. 66-84","authors":["Tokareva, S. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000256666173)","Zlotnik, A. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000226468264)","Gyrya, V. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)]"],"subjects":["97 MATHEMATICS AND COMPUTING","Mathematics","Uncertainty quantification","Semi-intrusive method","Graphs","Hyperbolic conservation law","Gas pipeline"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0307-904X","other_identifiers":["Journal ID: ISSN 0307-904X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2007357"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2007357"}]}, {"osti_id":"2283500","title":"Object Detection and Recognition with PointPillars in LiDAR Point Clouds – Comparisions","report_number":"NSC-614-5849","product_type":"Conference","language":"English","country_publication":"United States","relation":"Conference: IEEE Sensors 2024, Institute of Electrical and Electronics Engineers, October 20 - 23, 2024, Kobe, Japan","description":"In the field of autonomous systems, neural\r\nnetworks have been leveraged for object detection and\r\nrecognition in 2-dimensional images captured by cameras.\r\nOther types of sensors are available for sensing surroundings,\r\nincluding LiDAR sensors, and corresponding networks have\r\nbeen developed to perform detection and recognition in the\r\npoint clouds generated by these sensors. The approaches are\r\nsimilar, both perform convolutions, but have distinct\r\ncharacteristics and challenges. In designing and configuring\r\nautonomous systems, a variety of LiDAR sensors are available,\r\nalong with configurable deep neural networks to leverage their\r\ndata. This work presents a review of the PointPillars network,\r\nan evolution of the seminal PointNet, comparing accuracy and\r\ntraining time relative to different LiDAR sensors, network and\r\ntraining parameters, CPU and GPU hardware, and the\r\ncriticality of the use of reflective intensity as a feature. The\r\nvalue of using reflectivity as a predictive feature is explored and\r\nquantified to determine if it makes a significant difference in\r\naccuracy of the PointPillars network. Two separate LiDAR\r\nsensors are utilized, a 16-plane and a 32-plane, and\r\ncorresponding accuracies and training times with the\r\nPointPillars network are evaluated.","publication_date":"2024-10-01T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","format":"Medium: ED","authors":["Petkov, Plamen [Kansas City National Security Campus (KCNSC), Kansas City, MO (United States)]"],"subjects":["LiDAR, machine learning, neural network, object recognition"],"doe_contract_number":"DE-NA0002839","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Kansas City Nuclear Security Campus (KCNSC), Kansas City, MO (United States)"}],"research_orgs":["Kansas City Nuclear Security Campus (KCNSC), Kansas City, MO (United States)"],"conference_info":"Conference: IEEE Sensors 2024, Institute of Electrical and Electronics Engineers, October 20 - 23, 2024, Kobe, Japan","links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283500"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2283500"}]}, {"osti_id":"2311922","title":"AI for Technoscientific Discovery: A Human-Inspired Architecture","report_number":"SAND-2024-01626J","doi":"10.1016/j.yjoc.2024.100077","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Journal of Creativity Journal Volume: 34 Journal Issue: 2","description":"We present a high-level architecture for how artificial intelligences might advance and accumulate scientific and technological knowledge, inspired by emerging perspectives on how human intelligences advance and accumulate such knowledge. Agents advance knowledge by exercising a technoscientific method—an interacting combination of scientific and engineering methods. The technoscientific method maximizes a quantity we call “useful learning” via more-creative implausible utility (including the “aha!” moments of discovery), as well as via less-creative plausible utility. Society accumulates the knowledge advanced by agents so that other agents can incorporate and build on to make further advances. The proposed architecture is challenging but potentially complete: its execution might in principle enable artificial intelligences to advance and accumulate an equivalent of the full range of human scientific and technological knowledge.","publication_date":"2024-08-01T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Elsevier","journal_name":"Journal of Creativity","journal_issue":"2","journal_volume":"34","format":"Medium: X; Size: Article No. 100077","authors":["Tsao, J. Y. (ORCID:0000000192137028)","Abbott, R. G.","Crowder, D. C.","Desai, S.","Dingreville, R. P. M. (ORCID:000000031613695X)","Fowler, J. E. (ORCID:0000000225181018)","Garland, A.","Iyer, P. P.","Murdock, J.","Steinmetz, S. T. (ORCID:0000000262034340)","Yarritu, K. A. (ORCID:0009000852710211)","Johnson, C. M.","Stracuzzi, D. J."],"subjects":["artificial intelligence","creativity","extended neurosymbolic knowledge","technoscientific method"],"article_type":"Published Article","doe_contract_number":"230710; NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"USDOE Office of Science (SC)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program","USDOE Office of Science (SC)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 2713-3745","other_identifiers":["Journal ID: ISSN 2713-3745; S2713374524000037; 100077; PII: S2713374524000037"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311922"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311922"}]}, {"osti_id":"2283480","title":"Physics-informed machine learning with optimization-based guarantees: Applications to AC power flow","report_number":"SAND-2024-00708J","doi":"10.1016/j.ijepes.2023.109741","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: International Journal of Electrical Power and Energy Systems Journal Volume: 157 Journal Issue: C","description":"This manuscript presents a complete framework for the development and verification of physics-informed neural networks with application to the alternating-current power flow (ACPF) equations. Physics-informed neural networks (PINN)s have received considerable interest within power systems communities for their ability to harness underlying physical equations to produce simple neural network architectures that achieve high accuracy using limited training data. The methodology developed in this work builds on existing methods and explores new important aspects around the implementation of PINNs including: (i) obtaining operationally relevant training data, (ii) efficiently training PINNs and using pruning techniques to reduce their complexity, and (iii) globally verifying the worst-case predictions given known physical constraints. Here, the methodology is applied to the IEEE-14 and 118 bus systems where PINNs show substantially improved accuracy in a data-limited setting and attain better guarantees with respect to worst-case predictions.","publication_date":"2024-06-01T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"Elsevier","journal_name":"International Journal of Electrical Power and Energy Systems","journal_issue":"C","journal_volume":"157","format":"Medium: X; Size: Article No. 109741","authors":["Jalving, Jordan (ORCID:0000000222990119)","Eydenberg, Michael","Blakely, Logan","Castillo, Anya (ORCID:0000000326141007)","Kilwein, Zachary (ORCID:0000000188876629)","Skolfield, J. Kyle","Boukouvala, Fani","Laird, Carl"],"subjects":["97 MATHEMATICS AND COMPUTING","Neural networks","Mixed-integer linear programming","Verification","Physics-informed machine learning","AC power flow"],"article_type":"Published Article","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0142-0615","other_identifiers":["Journal ID: ISSN 0142-0615; S0142061523007986; 109741; PII: S0142061523007986"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283480"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283480"}]}, {"osti_id":"2301718","title":"Physics-constrained graph modeling for building thermal dynamics","report_number":"PNNL-SA-195071","doi":"10.1016/j.egyai.2024.100346","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Energy and AI Journal Volume: 16 Journal Issue: C","description":"In this paper, we propose a graph model embedded with compact physical equations for modeling the thermal dynamics of buildings. The principles of heat flow across various components in the building, such as walls and doors, fit the message-passing strategy used by Graph Neural networks (GNNs). The proposed method is to represent the multi-zone building as a graph, in which only zones are considered as nodes, and any heat flow between zones is modeled as an edge based on prior knowledge of the building structure. Furthermore, the thermal dynamics of these components are described by compact models in the graph. GNNs are further employed to train model parameters from collected data. During model training, our proposed method enforces physical constraints (e.g., zone sizes and connections) on model parameters and propagates the penalty in the loss function of GNN. Such constraints are essential to ensure model robustness and interpretability. We evaluate the effectiveness of the proposed modeling approach on a realistic dataset with multiple zones. The results demonstrate a satisfactory accuracy in the prediction of multi-zone temperature. Moreover, we illustrate that the new model can reliably learn hidden physical parameters with incomplete data.","publication_date":"2024-05-01T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Elsevier","journal_name":"Energy and AI","journal_issue":"C","journal_volume":"16","format":"Medium: X; Size: Article No. 100346","authors":["Yang, Ziyao (ORCID:0009000271581765)","Gaidhane, Amol D.","Drgoňa, Ján","Chandan, Vikas","Halappanavar, Mahantesh M.","Liu, Frank","Cao, Yu"],"subjects":["42 ENGINEERING","artificial intelligence"],"article_type":"Published Article","doe_contract_number":"AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2666-5468","other_identifiers":["Journal ID: ISSN 2666-5468; S2666546824000120; 100346; PII: S2666546824000120"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301718"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301718"}]}, {"osti_id":"2305561","title":"Earth: Extinguishing anthropogenic risks through harmonization","doi":"10.1016/j.nbt.2024.02.002","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: New Biotechnology Journal Volume: 80 Journal Issue: C","description":"Human diseases can kill one person at a time, but the COVID-19 pandemic showed massacres could be possible. The climate crisis could be even worse, potentially leading to a bigger number of deaths of the human species and all living systems on Earth. I urge us to change our human-focused mindset to solve many problems, including the climate crisis, which humans caused to the entire ecosystems due to our arrogance: humans own this world. In this perspective article, I propose four recommendations to address climate issues through paradigm change and safe and sustainable technologies.","publication_date":"2024-05-01T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Elsevier","journal_name":"New Biotechnology","journal_issue":"C","journal_volume":"80","format":"Medium: X; Size: p. 69-71","authors":["Moon, Tae Seok"],"subjects":["54 ENVIRONMENTAL SCIENCES","Climate crisis","Greenhouse gas","Sustainable growth","Environmental protection","Engineering biology","Earth"],"article_type":"Published Article","doe_contract_number":"SC0022003","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Washington University in St. Louis, MO (United States)"}],"research_orgs":["Washington University in St. Louis, MO (United States)"],"journal_issn":"ISSN 1871-6784","other_identifiers":["Journal ID: ISSN 1871-6784; S1871678424000049; PII: S1871678424000049"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305561"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305561"}]}, {"osti_id":"2323364","title":"A Compton transmission polarimeter for DC and SRF electron photo-injectors","report_number":"JLAB-ACC-23-3955; DOE/OR/23177-7259","doi":"10.1016/j.nima.2024.169224","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment Journal Volume: 1062 Journal Issue: C","description":"A polarimeter was constructed to measure the longitudinal polarization of a spin-polarized electron beam at 5 and 7 MeV. The polarimeter takes advantage of Compton scattering between circularly polarized bremsstrahlung photons produced by a longitudinally polarized electron beam striking a copper radiator and the spin-polarized electrons orbiting the iron atoms of an analyzing magnet. This so-called Compton transmission polarimeter is compact and relatively inexpensive compared to Mott-scattering polarimeters because no spin manipulator is required. This work presents the design of the radiator, analyzing magnet, photon detector assembly, and data acquisition system of the Compton transmission polarimeter as well as beam commissioning results performed at the Upgraded Injector Test Facility at Jefferson Lab.","publication_date":"2024-05-01T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Elsevier","journal_name":"Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment","journal_issue":"C","journal_volume":"1062","format":"Medium: X; Size: Article No. 169224","authors":["Blume, G. (ORCID:0000000342232259)","Bruker, M. (ORCID:0000000170059153)","Cuevas, C.","Dong, H.","Fernandes Neres, Benjamin","Ghoshal, P.","Gopinath, S.","Grames, J.","Gregory, S.","Hays, G.","Galliard, C. Le","Marsillac, S. (ORCID:0000000308268119)","Moffit, B.","Nguyen Trung, Thi","Poelker, M.","Suleiman, R.","Voutier, E. (ORCID:0000000349903369)","Zhang, S."],"subjects":["Compton transmission polarimetry","Mott-scattering polarimetry"],"article_type":"Published Article","doe_contract_number":"AC05-06OR23177; SC0021039; LAB 20-2310","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"}],"research_orgs":["Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"],"journal_issn":"ISSN 0168-9002","other_identifiers":["Journal ID: ISSN 0168-9002; S0168900224001505; 169224; PII: S0168900224001505"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323364"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323364"}]}, {"osti_id":"2319238","title":"Safety Considerations for Advanced Material Irradiation at the Advanced Test Reactor","report_number":"INL/CON-24-76144-Rev000","product_type":"Conference","language":"English","country_publication":"United States","relation":"Conference: 2024 ANS Annual Conference, Las Vegas, NV, 06/16/2024 - 06/19/2024","description":"The Advanced Test Reactor (ATR) is a light water reactor with aluminum-clad driver fuel. A primary mission of the ATR is to support the next generation of nuclear reactors. This support necessarily requires irradiation of advanced materials such as sodium, fuel salts, and metal eutectics. Irradiation of advanced materials in the ATR environment presents a challenge when completing accident analyses and demonstrating compliance to the Safety Analysis Report (SAR). Many advanced materials have the possibility to react with the ATR protective barriers such as the cladding or primary coolant system (PCS) boundary during postulated accident scenarios. Further, molten fuel experiments fall outside of the standard regulatory framework for dose consequence analyses. ATR is currently developing new safety analysis methods to support irradiation of advanced materials. The primary considerations for this development are 1) experiment containment design requirements, 2) primary coolant system response to an experiment containment failure, and 3) dose analyses for molten fuels.","publication_date":"2024-06-19T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","format":"Medium: ED","authors":["Sluder, Daniel Kelly [Idaho National Laboratory] (ORCID:0000000220970114)","Westacott, Jacob Lewis [Idaho National Laboratory]","Oldham, Nate [Idaho National Laboratory] (ORCID:0000000347160151)","Ball, Duane [Idaho National Laboratory] (ORCID:0000000247986044)"],"subjects":["21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS","38 - RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY","11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS","Advanced Reactor Safety","Radiological Consequences","Irradiation Experiments","Material Interaction","Structural Analysis"],"doe_contract_number":"DE-AC07-05ID14517","orgs_sponsor":[{"name":"58"}],"sponsor_orgs":["58"],"orgs_research":[{"name":"Idaho National Laboratory (INL), Idaho Falls, ID (United States)"}],"research_orgs":["Idaho National Laboratory (INL), Idaho Falls, ID (United States)"],"conference_info":"Conference: 2024 ANS Annual Conference, Las Vegas, NV, 06/16/2024 - 06/19/2024","links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319238"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2319238"}]}, {"osti_id":"2318603","title":"PyPWA: A software toolkit for parameter optimization and amplitude analysis","report_number":"JLAB-PHY-23-3817; arXiv:2306.01192; DOE/OR/23177-6147","doi":"10.1016/j.nima.2024.169150","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment Journal Volume: 1062 Journal Issue: C","description":"PyPWA is a toolkit designed to optimize parametric models describing data and generate simulated distributions according to a model. Its software has been written within the python ecosystem with the goal of performing Amplitude or Partial Wave Analysis (PWA) in nuclear and particle physics experiments. We briefly describe the general features of amplitude analysis and the PyPWA software design and usage. We provide benchmarks of the scaling and an example of its application.","publication_date":"2024-05-01T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Elsevier","journal_name":"Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment","journal_issue":"C","journal_volume":"1062","format":"Medium: X; Size: Article No. 169150","authors":["Jones, Mark","Hurck, Peter (ORCID:0000000284731470)","Phelps, William (ORCID:0000000167501414)","Salgado, Carlos W."],"subjects":["97 MATHEMATICS AND COMPUTING","Amplitude analysis","Optimization","Python","Hadron spectroscopy","Data analysis","Partial wave analysis"],"article_type":"Published Article","doe_contract_number":"AC05-06OR23177; 0855338; 1205763; 2110797","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"}],"research_orgs":["Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"],"journal_issn":"ISSN 0168-9002","other_identifiers":["Journal ID: ISSN 0168-9002; S0168900224000767; 169150; PII: S0168900224000767"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318603"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318603"}]}, {"osti_id":"2318502","title":"Out-of-Pile Testing and Instrumentation Transient Water Irradiation System","report_number":"INL/CON-24-76357-Rev000","product_type":"Conference","language":"English","country_publication":"United States","relation":"Conference: ANS 2024 Annual Meeting, Las Vegas, NV, 02/05/2024 - 02/05/2024","description":"Current initiatives to increase the burnup of conventional nuclear fuels past the approximate 62 GWd/t limit have been spurred on by direct savings to refueling and waste storage. The technical justification for a new license limit requires extensive qualification through experimental testing. Unlike beginning-of-life fuels, high-burnup fuels are more susceptible to fuel fragmentation, relocation, and dispersal (FFRD), therefore more data is needed to characterize fuels under key accident scenarios. The Transient Reactor Test Facility (TREAT) located at the Idaho National Laboratory has developed a testing apparatus architecture to test fuels and claddings at prototypic conditions. The Transient Water Irradiation System (TWIST) is the latest iteration of a testing device capable of conducting loss of coolant accidents (LOCAs) in TREAT. The Out-of-Pile Testing and Instrumentation TWIST (OPTI-TWIST) is an electrically heated device that is analogous to TWIST. OPTI-TWIST allows for detailed instrumentation and thermal-hydraulic characterization. TWIST ultimately aims to conduct the most advanced in-situ diagnostics to evaluate FFRD in a prototypic LOCA. Moreover, it will explore the phenomenological bifurcation of a decay-energy heat up driven LOCA and a stored-energy heat up driven LOCA. The instrumentation suite includes conventional thermocouples and pressure transducers in addition to an electro impedance sensor, an acoustic emission sensor, an optical pressure sensor, and an optical pyrometer. Characterizing these instruments in OPTI-TWIST eliminates complications of irradiation effects while preserving extreme thermal-hydraulic conditions. Finally, benchmarking both devices to a thermal-hydraulic code like the Reactor Excursion and Leak Analysis Program (RELAP)5-3D provides a unique opportunity for iteration. Pre-test predictions and post-test interpretations inform the physical designs, operational procedures, test conditions, and instrumentation types and positions.","publication_date":"2024-06-16T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","format":"Medium: ED","authors":["Ahmed Moussaoui, Musa Abdennour [Idaho National Laboratory] (ORCID:0000000164016712)","Folsom, Charles P [Idaho National Laboratory] (ORCID:0000000282428777)","Jensen, Colby B [Idaho National Laboratory] (ORCID:0000000189257758)"],"subjects":["22 - GENERAL STUDIES OF NUCLEAR REACTORS","LOCA","TREAT","high-burnup"],"doe_contract_number":"DE-AC07-05ID14517","orgs_sponsor":[{"name":"58"}],"sponsor_orgs":["58"],"orgs_research":[{"name":"Idaho National Laboratory (INL), Idaho Falls, ID (United States)"}],"research_orgs":["Idaho National Laboratory (INL), Idaho Falls, ID (United States)"],"conference_info":"Conference: ANS 2024 Annual Meeting, Las Vegas, NV, 02/05/2024 - 02/05/2024","links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318502"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2318502"}]}, {"osti_id":"2282999","title":"Inorganic Membrane-based Reactive Separation and Reactant Recycle for Direct Synthesis of Dimethyl Carbonate","report_number":"MPT2023-001","product_type":"Technical Report","language":"English","country_publication":"United States","description":"Dimethyl carbonate (DMC) is a promising green chemical due to its simplicity, versatility, low toxicity, high polarity, low corrosivity, and biodegradability. Further, “direct synthesis” of DMC using CO2 as a reactant offers a pathway forward to\r\neffective greenhouse gas reutilization. DMC is one of the most promising organic carbonates in terms of the range of applications. The US EPA has exempted DMC under its VOC classification rules making it a viable substitute for hydrocarbon solvents such as MEK, t-butyl acetate, etc. It has been proposed for use as a fuel additive (MTBE substitute), lithium ion battery electrolyte, and a platforming chemical for\r\nhigher carbonates, polyurethanes, isocyanates, and polycarbonates. However, the commercial impact of DMC has been muted with worldwide production limited to <800MM lb/year or <5% of the potential 20,000MM lb/year demand from the fuel additives and polymer synthetics markets alone. Penetration of DMC into these markets is limited due to its currently high production cost, a result of the low reactor\r\nyields, and resultant high energy cost associated with product recovery and reactant recycle.\r\n\r\nTo develop DMC as a commodity chemical, it is necessary to focus on solving the reactor yield and the downstream separation problems, simultaneously. In this project, MPT proposed to integrate its high-performance carbon molecular\r\nsieving inorganic membranes into the DMC synthesis process. These membranes are ideally suited to this process, given their demonstrated high selectivity and excellent stability in high temperature aggressive chemical environments. In the first step, a membrane reactor (MR) was developed and demonstrated to simultaneously remove product water and substantially enhance the reactor conversion in several 1,000 hours of continuous challenge testing. In the second step, a membrane separator (nanofilter,\r\nNF) was developed and challenge tested over several thousand hours to efficiently break the methanol/DMC azeotrope. Significant processing cost savings were demonstrated in the updated TEA due to overlapping synergies that develop between these technologies.\r\n\r\nDuring the Phase I program laboratory scale testing of MPT membranes in the MR and NF configurations was completed. In the MR testing, >600% enhancement in\r\nDMC yield over the equilibrium limit was demonstrated. In the NF testing, 96 to >98% DMC rejection from methanol was obtained. Membrane performance stability was demonstrated in both subsystems at the target operating temperature. With this data, an integrated MR/NR process model was developed and technoeconomic analysis was completed. The TEA demonstrated substantial savings, yielding DMC production costs below competing petroleum derived chemicals. During the Phase II program, the primary focus was to demonstrate the integrated CME-DMC process at a pilot scale of 1 to 5 lb/hr at the target operating conditions developed in Phase I. Several 1,000s of hours of challenge testing at the target operating conditions was conducted\r\nusing full length multiple tube membrane bundles in the membrane reactor and nanofiltration subsystem. No decay in membrane performance was observed throughout the testing program, confirming the membrane stability in the proposed process. These results were used to update the process flow diagram and TEA. Based upon this analysis, MPT’s CME-DMC process was shown to deliver DMC via the direct\r\nsynthesis pathway at a cost of ca. $0.26/lb, well below the current commercial sale prices of ca. $0.42/lb. In addition, life cycle analysis shows the proposed process delivers a CO2 emissions reduction of over 90% relative to the commercial methanol carbonylation route primarily due to the tremendous reduction in energy consumption introduced via the membrane reactor and particularly the nanofiltration subsystems.\r\nCommercial Applications and Benefits? Utilization of CO2 captured from power plant emissions remains a significant challenge. DMC represents a significant opportunity to tap this “no cost” reactant,","publication_date":"2024-06-11T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","format":"Medium: ED","coverage":"Final","authors":["Ciora, Richard J [Media & Process Technology Inc., Pittsburgh, PA (United States)]","Chen, Amy"],"subjects":["32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION","CO2 utilization, dimethyl carbonate, membranes,"],"doe_contract_number":"SC0019556","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"}],"sponsor_orgs":["USDOE Office of Science (SC)"],"orgs_research":[{"name":"Media and Process Technology Inc"}],"research_orgs":["Media and Process Technology Inc"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282999"}]}, {"osti_id":"2278798","title":"Consolidated Interim Storage Advantages and Disadvantages from Prior Reports and Studies","report_number":"INL/CON-22-70599-Rev000","product_type":"Conference","language":"English","country_publication":"United States","relation":"Conference: 2023 American Nuclear Society Annual Meeting, Indianapolis, Indiana, 06/11/2023 - 06/14/2023","description":"The question of whether centralized storage of civilian spent nuclear fuel (SNF) should be part of the federal waste management system as an intermediate step before permanent disposal has been debated for more than four decades. Since the Nuclear Waste Policy Act (NWPA) (U.S. House of Representatives 1982) was enacted, the need for interim storage facilities (ISFs) as part of the federal waste management system has been analyzed and documented in numerous reports and studies. This paper summarizes the advantages and disadvantages as described in those reports of incorporating an ISF into the waste management system.","publication_date":"2024-06-11T00:00:00Z","entry_date":"2024-01-08T00:00:00Z","format":"Medium: ED","authors":["Joseph, Robby Anthony [Idaho National Laboratory] (ORCID:0000000203439129)","Jarrell, Josh J [Idaho National Laboratory] (ORCID:0000000310418729)","Petersen, Gordon M [Idaho National Laboratory] (ORCID:0000000157736113)","Cumberland, Riley [Oak Ridge National Laboratory]","Howard, Rob [Pacific Northwest National Laboratory]","Nutt, Mark [Pacific Northwest National Laboratory]","Cotton, Tom [Consultant]"],"subjects":["11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS","12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES","interim storage","consolidated interim storage"],"doe_contract_number":"DE-AC07-05ID14517","orgs_sponsor":[{"name":"58"}],"sponsor_orgs":["58"],"orgs_research":[{"name":"Idaho National Laboratory (INL), Idaho Falls, ID (United States)"}],"research_orgs":["Idaho National Laboratory (INL), Idaho Falls, ID (United States)"],"conference_info":"Conference: 2023 American Nuclear Society Annual Meeting, Indianapolis, Indiana, 06/11/2023 - 06/14/2023","links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2278798"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2278798"}]}, {"osti_id":"2205134","title":"Uncovering atomic-scale polymer-to-ceramic transformations in SiC polymer derived ceramics from polycarbosilanes","doi":"10.1016/j.jeurceramsoc.2023.11.014","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of the European Ceramic Society Journal Volume: 44 Journal Issue: 4","description":"Polycarbosilanes (PCS) are organosilicon polymers that can be converted into silicon carbide (SiC) ceramics upon pyrolysis. The phase compositions and microstructure of the final ceramic are notably impacted by the interplay of both polymer morphology and chemical functionality. Such characteristics hold tremendous potential for developing polymer derived ceramics (PDCs) with optimized properties if the complexities inherent to such materials are better understood at the atomic-scale. This study investigates the structural changes associated with the polymer-to-ceramic conversion in SiC systems derived from the pyrolysis of commercial PCS: SMP-10, SMP-877 and SMP-730, across a temperature range of 250–1600 °C. Using a combination of synchrotron X-ray spectroscopy and scattering methods, we reveal heterogeneous structures with varied compositions, influenced by both pyrolysis conditions and initial PCS functionalities. This study offers a promising approach for understanding the devitrification and compositional heterogeneity (C vs. SiC phases) in polymer-to-ceramic conversion.","publication_date":"2024-04-01T00:00:00Z","entry_date":"2023-12-19T00:00:00Z","publisher":"Elsevier","journal_name":"Journal of the European Ceramic Society","journal_issue":"4","journal_volume":"44","format":"Medium: X; Size: p. 1932-1945","authors":["Hackbarth, Haira G.","Key, Thomas S.","Ackley, Brandon J.","Opletal, George (ORCID:0000000236590554)","Rawal, Aditya","Gallington, Leighanne (ORCID:0000000203837522)","Yang, Yuwei","Thomsen, Lars (ORCID:0000000227353362)","Dickerson, Matthew B.","Pruyn, Timothy L.","Bedford, Nicholas M."],"subjects":["36 MATERIALS SCIENCE","Atomic-scale structure","Polymer-derived ceramics","Polymer-to-ceramic conversion","Spectroscopy","Structure modeling"],"article_type":"Published Article","doe_contract_number":"AC02-06CH11357","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"US Air Force Office of Scientific Research (AFOSR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","US Air Force Office of Scientific Research (AFOSR)"],"orgs_research":[{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 0955-2219","other_identifiers":["Journal ID: ISSN 0955-2219; S0955221923009020; PII: S0955221923009020"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2205134"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2205134"}]}, {"osti_id":"2284000","title":"An implicit, conservative electrostatic particle-in-cell algorithm for paraxial magnetic nozzles","report_number":"LA-UR-23-25056","doi":"10.1016/j.jcp.2024.112826","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Computational Physics Journal Volume: 502 Journal Issue: C","description":"An electrostatic, implicit particle-in-cell (PIC) model for collisionless, fully magnetized, paraxial plasma expansions in a magnetic nozzle is introduced with exact charge, energy, and magnetic moment conservation properties. The approach is adaptive in configuration space by the use of mapped meshes, and exploits the strict conservation of the magnetic moment to reduce the dimensionality of velocity space. A new particle integrator is implemented, which allows particle substepping without the need to stop particle motion at every cell face for charge conservation. Particle substeps are determined from accuracy considerations, and are allowed to span multiple cells. Novel particle injection and expansion-to-infinity boundary conditions are developed, including a control loop to prevent the formation of spurious sheaths at the edges of the domain. The algorithm is verified in a periodic magnetic mirror configuration, a uniform plasma test case (to test particle injection), and a propulsive magnetic nozzle. The algorithm\'s computational complexity is shown to scale favorably with timestep, and linearly with the number of particles and grid cells for resolutions well beyond typical simulation needs. Numerical experiments demonstrate that the proposed algorithm is more than an order of magnitude faster than a semi-Lagrangian Vlasov code running on a similar machine, and we estimate speedups of that order compared to explicit PIC algorithms.","publication_date":"2024-04-01T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Elsevier","journal_name":"Journal of Computational Physics","journal_issue":"C","journal_volume":"502","format":"Medium: X; Size: Article No. 112826","authors":["Jiménez, Pedro (ORCID:0000000332445410)","Chacón, Luis","Merino, Mario"],"subjects":["97 MATHEMATICS AND COMPUTING","Mathematics","Implicit PIC","Electric propulsion","Magnetic nozzles","Plasma simulation","Particle-in-cell"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0021-9991","other_identifiers":["Journal ID: ISSN 0021-9991; S0021999124000755; 112826; PII: S0021999124000755"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284000"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284000"}]}, {"osti_id":"2251533","title":"Particle-based simulations of electrophoretic deposition with adaptive physics models","report_number":"LLNL-JRNL-849162","doi":"10.1016/j.cpc.2023.109062","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Computer Physics Communications Journal Volume: 297 Journal Issue: C","description":"This work represents an extension of mesoscale particle-based modeling of electrophoretic deposition (EPD), which has relied exclusively on pairwise interparticle interactions described by Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. With this standard treatment, particles continuously move and interact via excluded volume and electrostatic pair potentials under the influence of external fields throughout the EPD process. The physics imposed by DLVO theory may not be appropriate to describe all systems, considering the vast material, operational, and application space available to EPD. As such, we present three modifications to standard particle-based models, each rooted in the ability to dynamically change interparticle interactions as simulated deposition progresses. This approach allows simulations to capture charge transfer and/or irreversible adsorption based on tunable parameters. We evaluate and compare simulated deposits formed under new physical assumptions, demonstrating the range of systems that these adaptive physics models may capture.","publication_date":"2024-04-01T00:00:00Z","entry_date":"2023-12-25T00:00:00Z","publisher":"Elsevier","journal_name":"Computer Physics Communications","journal_issue":"C","journal_volume":"297","format":"Medium: X; Size: Article No. 109062","authors":["Karnes, John J. (ORCID:0000000229178406)","Pascall, Andrew J.","Rehbock, Christoph","Ramesh, Vaijayanthi","Worsley, Marcus A.","Barcikowski, Stephan","Lee, Elaine","Giera, Brian"],"subjects":["36 MATERIALS SCIENCE","75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY","97 MATHEMATICS AND COMPUTING","37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Electrophoretic deposition","Molecular dynamics","Computer simulation","Mesoscale"],"article_type":"Published Article","doe_contract_number":"AC52-07-NA27344; LLNL-JRNL-849162; AC52-07NA27344; BA 3580/24-1","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"German Research Foundation (DFG)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","German Research Foundation (DFG)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 0010-4655","other_identifiers":["Journal ID: ISSN 0010-4655; S0010465523004071; 109062; PII: S0010465523004071"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2251533"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2251533"}]}, {"osti_id":"2282171","title":"Photovoltaic hotspots: A mitigation technique and its thermal cycle","report_number":"SAND-2024-01611J","doi":"10.1016/j.ijleo.2024.171627","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Optik Journal Volume: 300 Journal Issue: C","description":"In the rapidly evolving field of solar energy, Photovoltaic (PV) manufacturers are constantly challenged by the degradation of PV modules due to localized overheating, commonly known as hotspots. This issue not only reduce the efficiency of solar panels but, in severe cases, can lead to irreversible damage, malfunctioning, and even fire hazards. Addressing this critical challenge, our research introduces an innovative electronic device designed to effectively mitigate PV hotspots. This pioneering solution consists of a novel combination of a current comparator and a current mirror circuit. These components are uniquely integrated with an automatic switching mechanism, notably eliminating the need for traditional bypass diodes. We rigorously tested and validated this device on PV modules exhibiting both adjacent and non-adjacent hotspots. Our findings are groundbreaking: the hotspot temperatures were significantly reduced from a dangerous 55 °C to a safer 35 °C. Moreover, this intervention remarkably enhanced the output power of the modules by up to 5.3%. This research not only contributes a practical solution to a longstanding problem in solar panel efficiency but also opens new pathways for enhancing the safety and longevity of solar PV systems.","publication_date":"2024-04-01T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Elsevier","journal_name":"Optik","journal_issue":"C","journal_volume":"300","format":"Medium: X; Size: Article No. 171627","authors":["Dhimish, Mahmoud","Theristis, Marios","d’Alessandro, Vincenzo"],"subjects":["14 SOLAR ENERGY","photovoltaics","solar cells","hotspots","cracks","performance analysis","power electronics"],"article_type":"Published Article","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0030-4026","other_identifiers":["Journal ID: ISSN 0030-4026; S0030402624000251; 171627; PII: S0030402624000251"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282171"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282171"}]}, {"osti_id":"2282903","title":"Denoising Particle-In-Cell data via Smoothness-Increasing Accuracy-Conserving filters with application to Bohm speed computation","report_number":"LA-UR-23-29581","doi":"10.1016/j.jcp.2024.112790","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Computational Physics Journal Volume: 502 Journal Issue: C","description":"The simulation of plasma physics is computationally expensive because the underlying physical system is of high dimensions, requiring three spatial dimensions and three velocity dimensions. One popular numerical approach is Particle-In-Cell (PIC) methods owing to its ease of implementation and favorable scalability in high-dimensional problems. An unfortunate drawback of the method is the introduction of statistical noise resulting from the use of finitely many particles. In this paper we examine the application of the Smoothness-Increasing Accuracy-Conserving (SIAC) family of convolution kernel filters as denoisers for moment data arising from PIC simulations. We show that SIAC filtering is a promising tool to denoise PIC data in the physical space as well as capture the appropriate scales in the Fourier space. Furthermore, we demonstrate how the application of the SIAC technique reduces the amount of information necessary in the computation of quantities of interest in plasma physics such as the Bohm speed.","publication_date":"2024-04-01T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Elsevier","journal_name":"Journal of Computational Physics","journal_issue":"C","journal_volume":"502","format":"Medium: X; Size: Article No. 112790","authors":["Picklo, Matthew J.","Tang, Qi","Zhang, Yanzeng","Ryan, Jennifer K. (ORCID:0000000262528199)","Tang, Xian-Zhu"],"subjects":["97 MATHEMATICS AND COMPUTING","Particle-In-Cell","SIAC filters","Denoising"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001; FA9550-20-1-0166","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"US Air Force Office of Scientific Research (AFOSR)"},{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Fusion Energy Sciences (FES)","USDOE Laboratory Directed Research and Development (LDRD) Program","US Air Force Office of Scientific Research (AFOSR)","USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0021-9991","other_identifiers":["Journal ID: ISSN 0021-9991; S0021999124000391; 112790; PII: S0021999124000391"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282903"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282903"}]}, {"osti_id":"2301738","title":"Dispersoid coarsening and slag formation during melt-based additive manufacturing of MA754","doi":"10.1016/j.addlet.2024.100195","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Additive Manufacturing Letters Journal Volume: 9 Journal Issue: C","description":"We have assessed the structural evolution and dispersoid coarsening behaviors of the oxide dispersion-strengthened superalloy MA754 during two different melt-based additive manufacturing techniques – metal laser powder bed fusion (PBF-LB/M) and directed energy deposition (DED). The mechanically alloyed MA754 powder posed challenges for both processes due to its irregular flaky morphology and large particle size. Successful consolidation with PBF-LB/M required increasing the layer height, decreasing the scanning speed, and increasing the laser power relative to typical Ni superalloy printing parameters. The resulting materials contained residual porosity and large Y-Al-oxide slag inclusions which formed in situ. The more prolonged thermal excursion during DED resulted in even larger, mm-scale slag inclusions, which spanned several build layers. In both PBF-LB/M and DED, these inclusions grew at the expense of nanoscale dispersoids, depleting the material of this strengthening phase. These observations motivate alternative approaches for preparing dispersion-strengthened powder feedstocks besides mechanical alloying and highlight the deleterious effects of Al microalloying on dispersoid stability and structure.","publication_date":"2024-04-01T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Elsevier","journal_name":"Additive Manufacturing Letters","journal_issue":"C","journal_volume":"9","format":"Medium: X; Size: Article No. 100195","authors":["Stubbs, Timothy","Hou, Roger","Leonard, Donovan N.","DeBeer-Schmitt, Lisa","Zhu, Yuman","Cordero, Zachary C. (ORCID:0000000216647939)","Huang, Aijun"],"subjects":["36 MATERIALS SCIENCE"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725; N00014-22-1-2036; LE0882821; LE110100223","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"US Department of the Navy, Office of Naval Research (ONR)"},{"name":"Australian Research Council (ARC)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","US Department of the Navy, Office of Naval Research (ONR)","Australian Research Council (ARC)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2772-3690","other_identifiers":["Journal ID: ISSN 2772-3690; S2772369024000045; 100195; PII: S2772369024000045"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301738"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301738"}]}, {"osti_id":"2311021","title":"Characterization of the MHD flow and pressure drop in the access ducts of a liquid metal fusion blanket","doi":"10.1016/j.fusengdes.2024.114262","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Fusion Engineering and Design Journal Volume: 201 Journal Issue: C","description":"In liquid metal (LM) magnetohydrodynamic (MHD) flows in the access ducts of a breeding blanket of a fusion power reactor, the spatially varying fringing magnetic field can be responsible for high MHD pressure drop, which is one of the blanket feasibility issues. In this study, the velocity field and the pressure drop of the LM MHD flow in a square non-conducting duct have been characterized via numerical computations with COMSOL Multiphysics for the case of a non-uniform magnetic field that decreases in the flow direction. In the computations, four configurations of the fringing magnetic field varying in magnetic field gradient and a wide range of Hartmann (1000In the limit of sufficiently fast rotation, rotating mirror traps are known to be stable against the loss-cone modes associated with conventional (non-rotating) mirrors. This paper calculates how quickly a mirror configuration must rotate in order for several of these modes to be stabilized (in particular, the high-frequency convective loss cone, drift cyclotron loss cone and Dory–Guest–Harris modes). Commonalities in the stabilization conditions for these modes then motivate a modified formulation of the Gardner free energy and diffusively accessible free energy to be used for systems in which the important modes have wavevectors that are orthogonal or nearly orthogonal to the magnetic field, as well as a modification to include the effects of a loss region in phase space.<\/p>","publication_date":"2024-03-15T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Cambridge University Press (CUP)","journal_name":"Journal of Plasma Physics","journal_issue":"2","journal_volume":"90","format":"Medium: X","authors":["Kolmes, E. J. (ORCID:0000000153035299)","Ochs, I. E. (ORCID:0000000260029169)","Fisch, N. J. (ORCID:0000000203017380)"],"article_type":"Published Article","doe_contract_number":"AR0001554; SC0014664","subjects":[],"orgs_sponsor":[{"name":"USDOE Advanced Research Projects Agency - Energy (ARPA-E)"}],"sponsor_orgs":["USDOE Advanced Research Projects Agency - Energy (ARPA-E)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-3778","other_identifiers":["Journal ID: ISSN 0022-3778; 905900203; PII: S0022377824000205"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323973"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323973"}]}, {"osti_id":"2323950","title":"Photosynthetically-powered phototactic active nematic liquid crystal fluids and gels","doi":"10.1038/s43246-024-00474-8","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Communications Materials Journal Volume: 5 Journal Issue: 1","description":"Abstract<\/title>\n <p>One of the most ancient forms of life dating to ~3.5 billion years ago, cyanobacteria are highly abundant organisms that convert light into energy and motion, often within conjoined filaments and larger colonies that attract a great deal of interest but their active nematic behavior remained unexplored. Here we demonstrate how light causes a spontaneous self-assembly of two- and three-dimensional active nematic states of cyanobacterial filaments, with a plethora of topological defects. We quantify light-controlled evolutions of orientational and velocity order parameters during the transition between disordered and orientationally ordered states of photosynthetic active matter, as well as the subsequent active nematic’s fluid-gel transformation. Patterned illumination and foreign inclusions with different shapes interact with cyanobacterial active nematics in nontrivial ways while inducing interfacial boundary conditions and fractional boojum defects. Our phototactic model system promises opportunities to systematically explore fundamental properties and technological utility of the liquid crystalline active matter.<\/p>","publication_date":"2024-03-15T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Communications Materials","journal_issue":"1","journal_volume":"5","format":"Medium: X","authors":["Repula, Andrii","Gates, Colin","Cameron, Jeffrey C. (ORCID:0000000266308345)","Smalyukh, Ivan I. (ORCID:0000000334441966)"],"article_type":"Published Article","doe_contract_number":"SC0020361","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2662-4443","other_identifiers":["Journal ID: ISSN 2662-4443; 37; PII: 474"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323950"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323950"}]}, {"osti_id":"2323969","title":"Deciphering between enhanced light emission and absorption in multi-mode porphyrin cavity polariton samples","doi":"10.1515/nanoph-2023-0748","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Nanophotonics Journal Volume: 0 Journal Issue: 0","description":"<title>Abstract<\/title>\n <p>It remains unclear how the collective strong coupling of cavity-confined photons to the electronic transitions of molecular chromophore leverages the distinct properties of the polaritonic constituents for future technologies. In this study, we design, fabricate, and characterize multiple types of Fabry-Pérot (FP) mirco-resonators containing copper(II) tetraphenyl porphyrin (CuTPP) to show how cavity polariton formation affects radiative relaxation processes in the presence of substantial non-Condon vibronic coupling between two of this molecule’s excited electronic states. Unlike the prototypical enhancement of Q state radiative relaxation of CuTPP in a FP resonator incapable of forming polaritons, we find the light emission processes in multimode cavity polariton samples become enhanced for cavity-exciton energy differences near those of vibrations known to mediate non-Condon vibronic coupling. We propose the value of this detuning is consistent with radiative relaxation of Herzberg-Teller polaritons into collective molecular states coupled to the cavity photon coherently. We contrast the feature stemming from light emission from the HT polariton state with those that occur due to polariton-enhanced light absorption. Our results demonstrate the landscape of molecular and photonic interactions enabled by cavity polariton formation using complex chromophores and how researchers can design resonators to leverage these interactions to characterize and control polaritonic properties.<\/p>","publication_date":"2024-03-15T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Walter de Gruyter GmbH","journal_name":"Nanophotonics","journal_issue":"0","journal_volume":"0","format":"Medium: X","authors":["Odewale, Elizabeth O. [Materials Structural Dynamics Laboratory, Department of Chemistry , 2954 Wayne State University , 48202 , Detroit , MI , USA]","Avramenko, Aleksandr G. [Materials Structural Dynamics Laboratory, Department of Chemistry , 2954 Wayne State University , 48202 , Detroit , MI , USA]","Rury, Aaron S. [Materials Structural Dynamics Laboratory, Department of Chemistry , 2954 Wayne State University , 48202 , Detroit , MI , USA] (ORCID:0000000218361424)"],"article_type":"Published Article","doe_contract_number":"SC-0022134","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2192-8606","other_identifiers":["Journal ID: ISSN 2192-8606"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323969"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323969"}]}, {"osti_id":"2323964","title":"Quantum simulation of excited states from parallel contracted quantum eigensolvers","doi":"10.1088/1367-2630/ad2d1d","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: New Journal of Physics Journal Volume: 26 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n Computing excited-state properties of molecules and solids is considered one of the most important near-term applications of quantum computers. While many of the current excited-state quantum algorithms differ in circuit architecture, specific exploitation of quantum advantage, or result quality, one common feature is their rooting in the Schrödinger equation. However, through contracting (or projecting) the eigenvalue equation, more efficient strategies can be designed for near-term quantum devices. Here we demonstrate that when combined with the Rayleigh–Ritz variational principle for mixed quantum states, the ground-state contracted quantum eigensolver (CQE) can be generalized to compute any number of quantum eigenstates simultaneously. We introduce two\n <italic>excited-state<\/italic>\n (anti-Hermitian) CQEs that perform the excited-state calculation while inheriting many of the remarkable features of the original ground-state version of the algorithm, such as its scalability. To showcase our approach, we study several model and chemical Hamiltonians and investigate the performance of different implementations.\n <\/p>","publication_date":"2024-03-15T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"IOP Publishing","journal_name":"New Journal of Physics","journal_issue":"3","journal_volume":"26","format":"Medium: X; Size: Article No. 033020","authors":["Benavides-Riveros, Carlos L. (ORCID:000000016924727X)","Wang, Yuchen (ORCID:0000000304793776)","Warren, Samuel (ORCID:0000000157134454)","Mazziotti, David A. (ORCID:0000000299383886)"],"article_type":"Published Article","doe_contract_number":"SC0019215","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1367-2630","other_identifiers":["Journal ID: ISSN 1367-2630"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323964"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323964"}]}, {"osti_id":"2323983","title":"A Resilient Integrated Resource Planning Framework for Transmission Systems: Analysis and Optimization","doi":"10.3390/su16062449","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Sustainability (Basel) Journal Volume: 16 Journal Issue: 6","description":"<p>This article presents a resilient Integrated Resource Planning (IRP) framework designed for transmission systems, with a specific focus on analyzing and optimizing responses to High-Impact Low-Probability (HILP) events. The framework aims to improve the resilience of transmission networks in the face of extreme events by prioritizing the assessment of events with significant consequences. Unlike traditional reliability-based planning methods that average the impact of various outage durations, this work adopts a metric based on the proximity of outage lines to generators to select HILP events. The system’s baseline resilience is evaluated by calculating load curtailment in different parts of the network resulting from HILP outage events. The transmission network is represented as an undirected graph. Graph-theoretic techniques are used to identify islands with or without generators, potentially forming segmented grids or microgrids. This article introduces Expected Load Curtailment (ELC) as a metric to quantify the system’s resilience. The framework allows for the re-evaluation of system resilience by integrating additional generating resources to achieve desired resilience levels. Optimization is performed in the re-evaluation stage to determine the optimal placement of distributed energy resources (DERs) for enhancing resilience, i.e., minimizing ELC. Case studies on the IEEE 24-bus system illustrate the effectiveness of the proposed framework. In the broader context, this resilient IRP framework aligns with energy sustainability goals by promoting robust and resilient transmission networks, as the optimal placement of DERs for resilience enhancement not only strengthens the system’s ability to withstand and recover from disruptions but also contributes to efficient resource utilization, advancing the overarching goal of energy sustainability.<\/p>","publication_date":"2024-03-15T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"MDPI AG","journal_name":"Sustainability (Basel)","journal_issue":"6","journal_volume":"16","format":"Medium: X; Size: Article No. 2449","authors":["Gautam, Mukesh (ORCID:0000000305715825)","McJunkin, Timothy (ORCID:0000000249879170)","Hruska, Ryan (ORCID:0000000341410308)"],"article_type":"Published Article","doe_contract_number":"AC07-05ID14517","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2071-1050","other_identifiers":["Journal ID: ISSN 2071-1050; SUSTDE; PII: su16062449"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323983"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323983"}]}, {"osti_id":"2323965","title":"Test for BCS-BEC crossover in the cuprate superconductors","doi":"10.1038/s41535-024-00640-8","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: npj Quantum Materials Journal Volume: 9 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n In this paper we address the question of whether high-temperature superconductors have anything in common with BCS-BEC crossover theory. Towards this goal, we present a proposal and related predictions which provide a concrete test for the applicability of this theoretical framework. These predictions characterize the behavior of the Ginzburg-Landau coherence length,\n <inline-formula>\n <alternatives>\n <tex-math>$${\\xi }_{0}^{{{{\\rm{coh}}}}}$$<\/tex-math>\n <math>\n <msubsup>\n <mrow>\n <mi>ξ<\/mi>\n <\/mrow>\n <mrow>\n <mn>0<\/mn>\n <\/mrow>\n <mrow>\n <mi>coh<\/mi>\n <\/mrow>\n <\/msubsup>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n , near the transition temperature\n <italic>T<\/italic>\n <sub>c<\/sub>\n , and across the entire superconducting\n <italic>T<\/italic>\n <sub>c<\/sub>\n dome in the phase diagram. That we are lacking a systematic characterization of\n <inline-formula>\n <alternatives>\n <tex-math>$${\\xi }_{0}^{{{{\\rm{coh}}}}}$$<\/tex-math>\n <math>\n <msubsup>\n <mrow>\n <mi>ξ<\/mi>\n <\/mrow>\n <mrow>\n <mn>0<\/mn>\n <\/mrow>\n <mrow>\n <mi>coh<\/mi>\n <\/mrow>\n <\/msubsup>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n in the entire class of cuprate superconductors is perhaps surprising, as it is one of the most fundamental properties of any superconductor. This paper is written to motivate further experiments and, thus, address this shortcoming. Here we show how measurements of\n <inline-formula>\n <alternatives>\n <tex-math>$${\\xi }_{0}^{{{{\\rm{coh}}}}}$$<\/tex-math>\n <math>\n <msubsup>\n <mrow>\n <mi>ξ<\/mi>\n <\/mrow>\n <mrow>\n <mn>0<\/mn>\n <\/mrow>\n <mrow>\n <mi>coh<\/mi>\n <\/mrow>\n <\/msubsup>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n contain direct indications for whether or not the cuprates are associated with BCS-BEC crossover and, if so, where within the crossover spectrum a particular superconductor lies.\n <\/p>","publication_date":"2024-03-15T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"npj Quantum Materials","journal_issue":"1","journal_volume":"9","format":"Medium: X","authors":["Chen, Qijin (ORCID:000000027168162X)","Wang, Zhiqiang (ORCID:0000000276080997)","Boyack, Rufus","Levin, K. (ORCID:0000000265732590)"],"article_type":"Published Article","doe_contract_number":"SC0019216","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2397-4648","other_identifiers":["Journal ID: ISSN 2397-4648; 27; PII: 640"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323965"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323965"}]}, {"osti_id":"2323951","title":"Reassessing the Climate Change Narrative","doi":"10.1007/s13143-024-00353-9","product_type":"Journal Article","language":"English","country_publication":"Korea, Republic of","relation":"Journal Name: Asia-Pacific Journal of Atmospheric Sciences","description":"<title>Abstract<\/title>\n <p>We note that the atmosphere has distinct tropical and extratropical regimes. The tropical regime is significantly dependent on the greenhouse effect and is characterized by temperatures that are largely horizontally homogenized. The extratropical regime is dominated by large scale unstable convective eddies that transport heat between the tropics and the poles (leaving the poles warmer than they otherwise would be) and serve to determine the temperature difference between the tropics and the poles. Changes in tropical temperature and in the tropics-to-pole temperature difference both contribute to changes in global mean temperature. It turns out that changes in global mean temperature associated with major climate change (i.e., the last glacial maximum and the warm period of the Eocene about 50 million years ago) were associated primarily with changes in the tropics-to-pole temperature differences. By contrast, changes in global mean temperature over the past 150 years or so are almost entirely associated with changes in tropical temperature. Thus, there is no intrinsic amplification associated with a change in the tropics-to-pole temperature difference. However, model simulations of climate behave differently from both observations and from each other. In particular, they all show more significant contributions for the tropics-to-pole temperature difference – sometimes much more significant. They also show excessive tropical warming.<\/p>","publication_date":"2024-03-15T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Asia-Pacific Journal of Atmospheric Sciences","format":"Medium: X","authors":["Lindzen, Richard S. (ORCID:0000000275207028)","Christy, John R."],"article_type":"Published Article","doe_contract_number":"SC0019296","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1976-7633","other_identifiers":["Journal ID: ISSN 1976-7633; PII: 353"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323951"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323951"}]}, {"osti_id":"2323975","title":"Understanding atom probe’s analytical performance for iron oxides using correlation histograms and ab initio calculations","doi":"10.1088/1367-2630/ad309e","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: New Journal of Physics Journal Volume: 26 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n Field evaporation from ionic or covalently bonded materials often leads to the emission of molecular ions. The metastability of these molecular ions, particularly under the influence of the intense electrostatic field (10\n <sup>10<\/sup>\n Vm\n <sup>−1<\/sup>\n ), makes them prone to dissociation with or without an exchange of energy amongst them. These processes can affect the analytical performance of atom probe tomography (APT). For instance, neutral molecules formed through dissociation may not be detected at all or with a time of flight no longer related to their mass, causing their loss from the analysis. Here, we evaluated the changes in the measured composition of FeO, Fe\n <sub>2<\/sub>\n O\n <sub>3<\/sub>\n and Fe\n <sub>3<\/sub>\n O\n <sub>4<\/sub>\n across a wide range of analysis conditions. Possible dissociation reactions are predicted by density-functional theory calculations considering the spin states of the molecules. The energetically favoured reactions are traced on to the multi-hit ion correlation histograms, to confirm their existence within experiments, using an automated Python-based routine. The detected reactions are carefully analyzed to reflect upon the influence of these neutrals from dissociation reactions on the performance of APT for analysing iron oxides.\n <\/p>","publication_date":"2024-03-15T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"IOP Publishing","journal_name":"New Journal of Physics","journal_issue":"3","journal_volume":"26","format":"Medium: X; Size: Article No. 033021","authors":["Kim, Se-Ho (ORCID:0000000312278897)","Bhatt, Shalini (ORCID:0000000271567376)","Schreiber, Daniel K.","Neugebauer, Jörg (ORCID:0000000279032472)","Freysoldt, Christoph (ORCID:0000000278963478)","Gault, Baptiste (ORCID:0000000249340458)","Katnagallu, Shyam (ORCID:0000000268122309)"],"article_type":"Published Article","doe_contract_number":"FWP 56909; AC05-79RL01830","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1367-2630","other_identifiers":["Journal ID: ISSN 1367-2630"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323975"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323975"}]}, {"osti_id":"2323956","title":"Global disease burden linked to diet high in red meat and colorectal cancer from 1990 to 2019 and its prediction up to 2030","doi":"10.3389/fnut.2024.1366553","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Frontiers in Nutrition Journal Volume: 11","description":"<sec>\n <title>Background<\/title>\n <p>Numerous studies have already identified an association between excessive consumption of red meat and colorectal cancer (CRC). However, there has been a lack of detailed understanding regarding the disease burden linked to diet high in red meat and CRC.<\/p>\n <\/sec>\n <sec>\n <title>Objective<\/title>\n <p>We aim to offer evidence-based guidance for developing effective strategies that can mitigate the elevated CRC burden in certain countries.<\/p>\n <\/sec>\n <sec>\n <title>Methods<\/title>\n <p>We used the data from the Global Burden of Disease (GBD) Study 2019 to evaluate global, regional, and national mortality rates and disability-adjusted Life years (DALYs) related to diet high in red meat. We also considered factors such as sex, age, the socio-demographic index (SDI), and evaluated the cross-national inequalities. Furthermore, we utilized DALYs data from 204 countries and regions to measure cross-country inequalities of CRC by calculating the slope index of inequality and concentration index as standard indicators of absolute and relative inequalities.<\/p>\n <\/sec>\n <sec>\n <title>Discussion<\/title>\n <p>The results show that globally, the age-standardized mortality rate (ASMR) and age-standardized disability adjusted life year rate (ASDR) related to CRC due to diet high in red meat have decreased, with estimated annual percent change (EAPCs) of −0.32% (95% CI −0.37 to −0.28) and-0.18% (95% CI −0.25 to −0.11). Notably, the burden was higher among males and the elderly. The slope index of inequality rose from 22.0 (95% CI 18.1 to 25.9) in 1990 to 32.9 (95% CI 28.3 to 37.5) in 2019 and the concentration index fell from 59.5 (95% CI 46.4 to 72.6) in 1990 to 48.9 (95% CI 34.6 to 63.1) in 2019. Also, according to our projections, global ASDR and ASMR might tend to increase up to 2030.<\/p>\n <\/sec>\n <sec>\n <title>Conclusion<\/title>\n <p>ASMR and ASDR for CRC associated with high red meat diets declined globally from 1990 to 2019, but the absolute number of cases is still rising, with men and the elderly being more affected. CRC associated with diets high in red meat exhibits significant income inequality, placing a disproportionate burden on wealthier countries. Moreover, according to our projections, ASMR and ASDR are likely to increase globally by 2030. In order to address this intractable disease problem, understanding changes in global and regional epidemiologic trends is critical for policy makers and others.<\/p>\n <\/sec>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Nutrition","journal_volume":"11","format":"Medium: X","authors":["Yang, Xuesong","Wu, Duozhi","Liu, Yanbo","He, Zhigang","Manyande, Anne","Fu, Hongjun","Xiang, Hongbing"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"}],"sponsor_orgs":["USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2296-861X","other_identifiers":["Journal ID: ISSN 2296-861X; 1366553"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323956"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323956"}]}, {"osti_id":"2323961","title":"Single-Shot Decoding of Good Quantum LDPC Codes","doi":"10.1007/s00220-024-04951-6","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Communications in Mathematical Physics Journal Volume: 405 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Quantum Tanner codes constitute a family of quantum low-density parity-check codes with good parameters, i.e., constant encoding rate and relative distance. In this article, we prove that quantum Tanner codes also facilitate single-shot quantum error correction (QEC) of adversarial noise, where one measurement round (consisting of constant-weight parity checks) suffices to perform reliable QEC even in the presence of measurement errors. We establish this result for both the sequential and parallel decoding algorithms introduced by Leverrier and Zémor. Furthermore, we show that in order to suppress errors over multiple repeated rounds of QEC, it suffices to run the parallel decoding algorithm for constant time in each round. Combined with good code parameters, the resulting constant-time overhead of QEC and robustness to (possibly time-correlated) adversarial noise make quantum Tanner codes alluring from the perspective of quantum fault-tolerant protocols.<\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Communications in Mathematical Physics","journal_issue":"3","journal_volume":"405","format":"Medium: X","authors":["Gu, Shouzhen (ORCID:0000000325604209)","Tang, Eugene","Caha, Libor","Choe, Shin Ho","He, Zhiyang","Kubica, Aleksander"],"article_type":"Published Article","doe_contract_number":"AC02-07CH11359","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0010-3616","other_identifiers":["Journal ID: ISSN 0010-3616; 85; PII: 4951"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323961"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323961"}]}, {"osti_id":"2323946","title":"Advances in in situ/operando techniques for catalysis research: enhancing insights and discoveries","doi":"10.1007/s44251-024-00038-5","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Surface Science and Technology Journal Volume: 2 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Catalysis research has witnessed remarkable progress with the advent of in situ and operando techniques. These methods enable the study of catalysts under actual operating conditions, providing unprecedented insights into catalytic mechanisms and dynamic catalyst behavior. This review discusses key in situ techniques and their applications in catalysis research. Advances in in situ electron microscopy allow direct visualization of catalysts at the atomic scale under reaction conditions. In situ spectroscopy techniques like X-ray absorption spectroscopy and nuclear magnetic resonance spectroscopy can track chemical states and reveal transient intermediates. Synchrotron-based techniques offer enhanced capabilities for in situ studies. The integration of in situ methods with machine learning and computational modeling provides a powerful approach to accelerate catalyst optimization. However, challenges remain regarding radiation damage, instrumentation limitations, and data interpretation. Overall, continued development of multi-modal in situ techniques is pivotal for addressing emerging challenges and opportunities in catalysis research and technology.<\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Surface Science and Technology","journal_issue":"1","journal_volume":"2","format":"Medium: X","authors":["Chen, Linfeng","Ding, Xinzhi","Wang, Zheren","Xu, Shutao","Jiang, Qike","Dun, Chaochao (ORCID:0000000232156478)","Urban, Jeffrey J."],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2731-7838","other_identifiers":["Journal ID: ISSN 2731-7838; 9; PII: 38"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323946"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323946"}]}, {"osti_id":"2323949","title":"Training models using forces computed by stochastic electronic structure methods","doi":"10.1088/2516-1075/ad2eb0","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Electronic Structure Journal Volume: 6 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Quantum Monte Carlo (QMC) can play a very important role in generating accurate data needed for constructing potential energy surfaces. We argue that QMC has advantages in terms of a smaller systematic bias and an ability to cover phase space more completely. The stochastic noise can ease the training of the machine learning model. We discuss how stochastic errors affect the generation of effective models by analyzing the errors within a linear least squares procedure, finding that there is an advantage to having many relatively imprecise data points for constructing models. We then analyze the effect of noise on a model of many-body silicon finding that noise in some situations improves the resulting model. We then study the effect of QMC noise on two machine learning models of dense hydrogen used in a recent study of its phase diagram. The noise enables us to estimate the errors in the model. We conclude with a discussion of future research problems.<\/p>","publication_date":"2024-03-15T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"IOP Publishing","journal_name":"Electronic Structure","journal_issue":"1","journal_volume":"6","format":"Medium: X; Size: Article No. 015011","authors":["Ceperley, David M. (ORCID:0000000150826271)","Jensen, Scott (ORCID:0000000265762204)","Yang, Yubo (ORCID:0000000288009426)","Niu, Hongwei","Pierleoni, Carlo (ORCID:0000000191883846)","Holzmann, Markus"],"article_type":"Published Article","doe_contract_number":"DOE DE-SC0020177","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2516-1075","other_identifiers":["Journal ID: ISSN 2516-1075"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323949"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323949"}]}, {"osti_id":"2323943","title":"RuBisCO activity assays: a simplified biochemical redox approach for in vitro quantification and an RNA sensor approach for in vivo monitoring","doi":"10.1186/s12934-024-02357-6","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Microbial Cell Factories Journal Volume: 23 Journal Issue: 1","description":"<title>Abstract<\/title>\n <sec>\n <title>Background<\/title>\n <p>Ribulose-1,5-bisphosphate carboxylase/oxygenase (RuBisCO) is the most abundant soluble protein in nature. Extensive studies have been conducted for improving its activity in photosynthesis through approaches like protein engineering. Concurrently, multiple biochemical and radiolabeling assays have been developed for determining its activity. Although these existing assays yield reliable results, they require addition of multiple external components, rendering them less convenient and expensive. Therefore, in this study, we have developed two relatively cheaper, convenient, and easily reproducible assays for quantitative and qualitative estimation of RuBisCO activity.<\/p>\n <\/sec>\n <sec>\n <title>Results<\/title>\n <p>\n We simplified a contemporary NADH based spectrophotometric RuBisCO assay by using cyanobacterial cell lysate as the source for Calvin cycle enzymes. We analyzed the influence of inorganic carbon substrates, CO\n <sub>2<\/sub>\n and NaHCO\n <sub>3<\/sub>\n , and varying protein concentrations on RuBisCO activity. Ribulose-1,5-bisphosphate (RuBP) consumption rates for the cultures grown under 5% CO\n <sub>2<\/sub>\n were 5–7 times higher than the ones grown with 20 mM NaHCO\n <sub>3<\/sub>\n , at different protein concentrations. The difference could be due to the impaired activity of carbonic anhydrase in the cell lysate, which is required for the conversion of HCO\n <sub>3<\/sub>\n <sup>−<\/sup>\n to CO\n <sub>2<\/sub>\n . The highest RuBisCO activity of 2.13 nmol of NAD\n <sup>+<\/sup>\n / µg of Chl-a/ min was observed with 50 µg of protein and 5% CO\n <sub>2<\/sub>\n . Additionally, we developed a novel RNA-sensor based fluorescence assay that is based on the principle of tracking the kinetics of ATP hydrolysis to ADP during the conversion of 3-phosphoglycerate (3-PG) to 1,3-bisphosphoglycerate (1,3-BPG) in the Calvin cycle. Under in vitro conditions, the fluorometric assay exhibited  ~ 3.4-fold slower reaction rate (0.37 min\n <sup>−1<\/sup>\n ) than the biochemical assay when using 5% CO\n <sub>2<\/sub>\n . We also confirmed the in vivo application of this assay, where increase in the fluorescence was observed with the recombinant strain of\n <italic>Synechocystis<\/italic>\n sp. PCC 6803 (SSL142) expressing the ADP-specific RNA sensor, compared to the WT. In addition, SSL142 exhibited three-fold higher fluorescence when supplemented with 20 mM NaHCO\n <sub>3<\/sub>\n as compared to the cells that were grown without NaHCO\n <sub>3<\/sub>\n supplementation.\n <\/p>\n <\/sec>\n <sec>\n <title>Conclusions<\/title>\n <p>\n Overall, we have developed a simplified biochemical assay for monitoring RuBisCO activity and demonstrated that it can provide reliable results as compared to the prior literature. Furthermore, the biochemical assay using 5% CO\n <sub>2<\/sub>\n (100% relative activity) provided faster RuBP consumption rate compared to the biochemical assay utilizing 20 mM NaHCO\n <sub>3<\/sub>\n (30.70% relative activity) and the in vitro fluorometric assay using 5% CO\n <sub>2<\/sub>\n (29.64% relative activity). Therefore, the absorbance-based biochemical assay using 5% CO\n <sub>2<\/sub>\n or higher would be suitable for in vitro quantification of the RuBisCO activity. On the other hand, the RNA-sensor based in vivo fluorometric assay can be applied for qualitative analysis and be used for high-throughput screening of RuBisCO variants. As RuBisCO is an enzyme shared amongst all the photoautotrophs, the assays developed in this study can easily be extended for analyzing the RuBisCO activities even in microalgae and higher plants.\n <\/p>\n <\/sec>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Microbial Cell Factories","journal_issue":"1","journal_volume":"23","format":"Medium: X","authors":["Faisal, Muhammad","Sarnaik, Aditya P.","Kannoju, Nandini","Hajinajaf, Nima","Asad, Muhammad Javaid","Davis, Ryan W.","Varman, Arul M."],"article_type":"Published Article","doe_contract_number":"2122769; 32208; 20-0242","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1475-2859","other_identifiers":["Journal ID: ISSN 1475-2859; 83; PII: 2357"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323943"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323943"}]}, {"osti_id":"2323958","title":"Multiscale in-situ characterization of static recrystallization using dark-field X-ray microscopy and high-resolution X-ray diffraction","doi":"10.1038/s41598-024-56546-9","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Scientific Reports Journal Volume: 14 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Dark-field X-ray microscopy (DFXM) is a high-resolution, X-ray-based diffraction microstructure imaging technique that uses an objective lens aligned with the diffracted beam to magnify a single Bragg reflection. DFXM can be used to spatially resolve local variations in elastic strain and orientation inside embedded crystals with high spatial (~ 60 nm) and angular (~ 0.001°) resolution. However, as with many high-resolution imaging techniques, there is a trade-off between resolution and field of view, and it is often desirable to enrich DFXM observations by combining it with a larger field-of-view technique. Here, we combine DFXM with high-resolution X-ray diffraction (HR-XRD) applied to an in-situ investigation of static recrystallization in an 80% hot-compressed Mg–3.2Zn–0.1Ca wt.% (ZX30) alloy. Using HR-XRD, we track the relative grain volume of > 8000 sub-surface grains during annealing in situ. Then, at several points during the annealing process, we “zoom in” to individual grains using DFXM. This combination of HR-XRD and DFXM enables multiscale characterization, used here to study why particular grains grow to consume a large volume fraction of the annealed microstructure. This technique pairing is particularly useful for small and/or highly deformed grains that are often difficult to resolve using more standard diffraction microstructure imaging techniques.<\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: X","authors":["Lee, Sangwon","Berman, Tracy D.","Yildirim, Can","Detlefs, Carsten","Allison, John E.","Bucsek, Ashley"],"article_type":"Published Article","doe_contract_number":"#DE-SC0008637","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; 6241; PII: 56546"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323958"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323958"}]}, {"osti_id":"2323941","title":"Linear Correlations of Gibbs Free Energy of REE Phosphates (Monazite, Xenotime, and Rhabdophane) and Internally Consistent Binary Mixing Properties","doi":"10.3390/min14030305","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Minerals Journal Volume: 14 Journal Issue: 3","description":"<p>Rare Earth Elements (REE) phosphates (monazite, xenotime, and rhabdophane) are critical REE-bearing minerals typically formed in hydrothermal and magmatic ore deposits. The thermodynamic properties of those REE minerals are crucial to understanding the solubility, speciation, and transport of REE complexes. However, the standard-state Gibbs free energy of formation (∆G°f) values reported for these minerals in the literature vary by up to 25 kJ mol−1. Here, we present linear free energy relationships that allow the evaluation and estimation of the ∆G°f values at 25 °C and 1 bar for the three minerals from the ionic radius (rREE3+) and the non-solvation Gibbs free energy contribution to the REE3+ aqua ion (∆G°n, REE3+): ∆G°f,monazite − 399.71 rREE3+ = 1.0059 ∆G°n,REE3+ − 2522.51; ∆G°f,xenotime − 344.08 rREE3+ = 0.9909 ∆G°n,REE3+ − 2451.53; and ∆G°f,rhabdophane − 416.17 rREE3+ = 1.0067 ∆G°n, REE3+ − 2688.86. Moreover, based on the new dataset derived for REE end-members, we re-fitted the binary Margules parameter (W) from previous theoretical calculations into linear correlations: W + 0.00204 ∆G°’n,monazite = 39.3549 ∆V + 0.0641; W + 0.00255 ∆G°’n,xenotime = 25.4885 ∆V − 0.0062. The internally consistent thermodynamic properties of these REE phosphates are incorporated into the computer program Supcrtbl, which is available online at Zhu’s research website.<\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"MDPI AG","journal_name":"Minerals","journal_issue":"3","journal_volume":"14","format":"Medium: X; Size: Article No. 305","authors":["Pan, Ruiguang (ORCID:0000000324896545)","Gysi, Alexander P.","Migdisov, Artas","Gong, Lei","Lu, Peng","Zhu, Chen (ORCID:0000000153746787)"],"article_type":"Published Article","doe_contract_number":"SC0022269","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2075-163X","other_identifiers":["Journal ID: ISSN 2075-163X; MBSIBI; PII: min14030305"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323941"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323941"}]}, {"osti_id":"2315743","title":"The role of surface functionalization in quantum dot-based photocatalytic CO\n <sub>2<\/sub>\n reduction: balancing efficiency and stability","doi":"10.1039/D3NR06177A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nanoscale Journal Volume: 16 Journal Issue: 11","description":"<p>\n Importance of surface functionalization: a strongly interacting quantum dot–catalyst system achieves higher conversion of CO\n <sub>2<\/sub>\n to CO.\n <\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Nanoscale","journal_issue":"11","journal_volume":"16","format":"Medium: X; Size: p. 5624-5633","authors":["Hernandez, Frida [Department of Chemistry, Amherst College, Amherst, MA 01002, USA]","Yang, Maggie [Department of Chemistry, Amherst College, Amherst, MA 01002, USA]","Nagelj, Nejc [Department of Chemistry, Amherst College, Amherst, MA 01002, USA] (ORCID:0009000471489752)","Lee, Autumn Y. [Department of Chemistry, Amherst College, Amherst, MA 01002, USA] (ORCID:0009000418605187)","Noh, Hasun [Department of Chemistry, Amherst College, Amherst, MA 01002, USA]","Hur, Kyle P. [Department of Chemistry, Amherst College, Amherst, MA 01002, USA]","Fu, Xinyu [Department of Chemistry, Amherst College, Amherst, MA 01002, USA]","Savoie, Caleb J. [Department of Chemistry, Amherst College, Amherst, MA 01002, USA] (ORCID:0009000801243246)","Schwartzberg, Adam M. [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA] (ORCID:0000000163350719)","Olshansky, Jacob H. [Department of Chemistry, Amherst College, Amherst, MA 01002, USA] (ORCID:0000000336581487)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2040-3364","other_identifiers":["Journal ID: ISSN 2040-3364; NANOHL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315743"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315743"}]}, {"osti_id":"2315070","title":"Enhanced magnetic susceptibility in Ti\n <sub>3<\/sub>\n C\n <sub>2<\/sub>\n T\n <sub>\n <i>x<\/i>\n <\/sub>\n MXene with Co and Ni incorporation","doi":"10.1039/D3NR05685F","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nanoscale Journal Volume: 16 Journal Issue: 11","description":"<p>\n We incorporate dilute concentrations of Ni and Co into Ti\n <sub>3<\/sub>\n C\n <sub>2<\/sub>\n T\n <sub>\n <italic>x<\/italic>\n <\/sub>\n MXene, resulting in a >50 fold increase in magnetic susceptibility.\n <\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Nanoscale","journal_issue":"11","journal_volume":"16","format":"Medium: X; Size: p. 5760-5767","authors":["Yang, Yizhou [Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19014, USA] (ORCID:000000027419291X)","Anayee, Mark [Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19014, USA, A.J. Drexel Nanomaterials Institute, Drexel University, Philadelphia, Pennsylvania 19104, USA] (ORCID:000000026691920X)","Pattammattel, Ajith [Brookhaven National Laboratory, National Synchrotron Light Source II, Upton, New York, 11973, USA] (ORCID:0000000259567808)","Shekhirev, Mikhail [Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19014, USA, A.J. Drexel Nanomaterials Institute, Drexel University, Philadelphia, Pennsylvania 19104, USA] (ORCID:0000000283811276)","Wang, Ruocun (John) [Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19014, USA, A.J. Drexel Nanomaterials Institute, Drexel University, Philadelphia, Pennsylvania 19104, USA] (ORCID:0000000180955285)","Huang, Xiaojing [Brookhaven National Laboratory, National Synchrotron Light Source II, Upton, New York, 11973, USA] (ORCID:0000000160345893)","Chu, Yong S. [Brookhaven National Laboratory, National Synchrotron Light Source II, Upton, New York, 11973, USA] (ORCID:0000000286245329)","Gogotsi, Yury [Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19014, USA, A.J. Drexel Nanomaterials Institute, Drexel University, Philadelphia, Pennsylvania 19104, USA] (ORCID:0000000194234032)","May, Steven J. [Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19014, USA] (ORCID:0000000280971549)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2040-3364","other_identifiers":["Journal ID: ISSN 2040-3364; NANOHL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315070"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315070"}]}, {"osti_id":"2315742","title":"From a mercury(\n <scp>ii<\/scp>\n ) bis(yldiide) complex to actinide yldiides","doi":"10.1039/D3CC05553A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: ChemComm Journal Volume: 60 Journal Issue: 23","description":"<p>\n A bis(yldiide) mercury complex [Hg{C(PPh\n <sub>3<\/sub>\n )(SPPh\n <sub>2<\/sub>\n )}\n <sub>2<\/sub>\n ] has been isolated and used as a mild transmetalation reagent to form the first substituted actinide yldiide complexes, which exhibit highly polar metal carbon interactions.\n <\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"ChemComm","journal_issue":"23","journal_volume":"60","format":"Medium: X; Size: p. 3190-3193","authors":["Jörges, Mike [Department of Chemistry, University of Missouri, Columbia, MO 65211, USA, Faculty of Chemistry and Biochemistry, Ruhr-University Bochum, Bochum 44801, Germany]","Gremillion, Alexander J. [Department of Chemistry, University of Missouri, Columbia, MO 65211, USA, Faculty of Chemistry and Biochemistry, Ruhr-University Bochum, Bochum 44801, Germany]","Knyszek, Daniel [Faculty of Chemistry and Biochemistry, Ruhr-University Bochum, Bochum 44801, Germany] (ORCID:0009000634893769)","Kelley, Steven P. [Department of Chemistry, University of Missouri, Columbia, MO 65211, USA] (ORCID:0000000167554495)","Walensky, Justin R. [Department of Chemistry, University of Missouri, Columbia, MO 65211, USA] (ORCID:0000000302212675)","Gessner, Viktoria H. [Faculty of Chemistry and Biochemistry, Ruhr-University Bochum, Bochum 44801, Germany] (ORCID:0000000165572366)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1359-7345","other_identifiers":["Journal ID: ISSN 1359-7345; CHCOFS"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315742"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315742"}]}, {"osti_id":"2323979","title":"Network of epistatic interactions in an enzyme active site revealed by large-scale deep mutational scanning","doi":"10.1073/pnas.2313513121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 12","description":"<p>Cooperative interactions between amino acids are critical for protein function. A genetic reflection of cooperativity is epistasis, which is when a change in the amino acid at one position changes the sequence requirements at another position. To assess epistasis within an enzyme active site, we utilized CTX-M β-lactamase as a model system. CTX-M hydrolyzes β-lactam antibiotics to provide antibiotic resistance, allowing a simple functional selection for rapid sorting of modified enzymes. We created all pairwise mutations across 17 active site positions in the β-lactamase enzyme and quantitated the function of variants against two β-lactam antibiotics using next-generation sequencing. Context-dependent sequence requirements were determined by comparing the antibiotic resistance function of double mutations across the CTX-M active site to their predicted function based on the constituent single mutations, revealing both positive epistasis (synergistic interactions) and negative epistasis (antagonistic interactions) between amino acid substitutions. The resulting trends demonstrate that positive epistasis is present throughout the active site, that epistasis between residues is mediated through substrate interactions, and that residues more tolerant to substitutions serve as generic compensators which are responsible for many cases of positive epistasis. Additionally, we show that a key catalytic residue (Glu166) is amenable to compensatory mutations, and we characterize one such double mutant (E166Y/N170G) that acts by an altered catalytic mechanism. These findings shed light on the unique biochemical factors that drive epistasis within an enzyme active site and will inform enzyme engineering efforts by bridging the gap between amino acid sequence and catalytic function.<\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"12","journal_volume":"121","format":"Medium: X","authors":["Judge, Allison [Verna and Marrs McLean Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, TX 77030] (ORCID:0000000342891748)","Sankaran, Banumathi [Department of Molecular Biophysics and Integrated Bioimaging, Berkeley Center for Structural Biology Lawrence Berkeley National Laboratory, Berkeley, CA 94720]","Hu, Liya [Verna and Marrs McLean Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, TX 77030]","Palaniappan, Murugesan [Department of Pathology and Immunology, Center for Drug Discovery, Baylor College of Medicine, Houston, TX 77030] (ORCID:0000000349166565)","Birgy, André [Verna and Marrs McLean Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, TX 77030, Infections, Antimicrobials, Modelling, Evolution, UMR 1137, French Insitute for Medical Research (INSERM), Faculty of Health, Université Paris Cité, Paris 75006, France]","Prasad, B. V. Venkataram [Verna and Marrs McLean Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, TX 77030] (ORCID:0000000211722071)","Palzkill, Timothy [Verna and Marrs McLean Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, TX 77030] (ORCID:0000000252670001)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2313513121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323979"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323979"}]}, {"osti_id":"2323572","title":"Ergodicity, lack thereof, and the performance of reservoir computing with memristive networks","doi":"10.1088/2632-959X/ad2999","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nano Express Journal Volume: 5 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Networks composed of nanoscale memristive components, such as nanowire and nanoparticle net-works, have recently received considerable attention because of their potential use as neuromorphic devices. In this study, we explore ergodicity in memristive networks, showing that the performance on machine leaning tasks improves when these networks are tuned to operate at the edge between two global stability points. We find this lack of ergodicity is associated with the emergence of memory in the system. We measure the level of ergodicity using the Thirumalai-Mountain metric, and we show that in the absence of ergodicity, two different memristive network systems show improved performance when utilized as reservoir computers (RC). We highlight that it is also important to let the system synchronize to the input signal in order for the performance of the RC to exhibit improvements over the baseline.<\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nano Express","journal_issue":"1","journal_volume":"5","format":"Medium: X; Size: Article No. 015021","authors":["Baccetti, Valentina (ORCID:0000000256801574)","Zhu, Ruomin (ORCID:0000000223107762)","Kuncic, Zdenka (ORCID:0000000167653215)","Caravelli, Francesco (ORCID:0000000179643030)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2632-959X","other_identifiers":["Journal ID: ISSN 2632-959X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323572"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323572"}]}, {"osti_id":"2323971","title":"Seasonal variability of wake impacts on US mid-Atlantic offshore wind plant power production","doi":"10.5194/wes-9-555-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Wind Energy Science (Online) Journal Volume: 9 Journal Issue: 3","description":"<p>Abstract. The mid-Atlantic will experience rapid wind plant development due to its promising wind resource located near large population centers. Wind turbines and wind plants create wakes, or regions of reduced wind speed, that may negatively affect downwind turbines and plants. We evaluate wake variability and annual energy production with the first yearlong modeling assessment using the Weather Research and Forecasting model, deploying 12 MW turbines across the domain at a density of 3.14 MW km−2, matching the planned density of 3 MW km−2. Using a series of simulations with no wind plants, one wind plant, and complete build-out of lease areas, we calculate wake effects and distinguish the effect of wakes generated internally within one plant from those generated externally between plants. We also provide a first step towards uncertainty quantification by testing the amount of added turbulence kinetic energy (TKE) by 0 % and 100 %. We provide a sensitivity analysis by additionally comparing 25 % and 50 % for a short case study period. The strongest wakes, propagating 55 km, occur in summertime stable stratification, just when New England\'s grid demand peaks in summer. The seasonal variability of wakes in this offshore region is much stronger than the diurnal variability of wakes. Overall, yearlong simulated wake impacts reduce power output by a range between 38.2 % and 34.1 % (for 0 %–100 % added TKE). Internal wakes cause greater yearlong power losses, from 29.2 % to 25.7 %, compared to external wakes, from 14.7 % to 13.4 %. The overall impact is different from the linear sum of internal wakes and external wakes due to non-linear processes. Additional simulations quantify wake uncertainty by modifying the added amount of turbulent kinetic energy from wind turbines, introducing power output variability of 3.8 %. Finally, we compare annual energy production to New England grid demand and find that the lease areas can supply 58.8 % to 61.2 % of annual load. We note that the results of this assessment are not intended to make nor are they suitable to make commercial judgments about specific wind projects.<\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Wind Energy Science (Online)","journal_issue":"3","journal_volume":"9","format":"Medium: X; Size: p. 555-583","authors":["Rosencrans, David (ORCID:0000000183410280)","Lundquist, Julie K. (ORCID:0000000154902702)","Optis, Mike","Rybchuk, Alex (ORCID:0000000344333993)","Bodini, Nicola (ORCID:0000000225509853)","Rossol, Michael"],"article_type":"Published Article","doe_contract_number":"CRD-19-16351","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2366-7451","other_identifiers":["Journal ID: ISSN 2366-7451"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323971"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323971"}]}, {"osti_id":"2323952","title":"Systematically tracking the hourly progression of large wildfires using GOES satellite observations","doi":"10.5194/essd-16-1395-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Earth System Science Data (Online) Journal Volume: 16 Journal Issue: 3","description":"<p>Abstract. In the western United States, prolonged drought, a warming climate, and historical fuel buildup have contributed to larger and more intense wildfires as well as to longer fire seasons. As these costly wildfires become more common, new tools and methods are essential for improving our understanding of the evolution of fires and how extreme weather conditions, including heat waves, windstorms, droughts, and varying levels of active-fire suppression, influence fire spread. Here, we develop the Geostationary Operational Environmental Satellites (GOES)-Observed Fire Event Representation (GOFER) algorithm to derive the hourly fire progression of large wildfires and create a product of hourly fire perimeters, active-fire lines, and fire spread rates. Using GOES-East and GOES-West geostationary satellite detections of active fires, we test the GOFER algorithm on 28 large wildfires in California from 2019 to 2021. The GOFER algorithm includes parameter optimizations for defining the burned-to-unburned boundary and correcting for the parallax effect from elevated terrain. We evaluate GOFER perimeters using 12 h data from the Visible Infrared Imaging Radiometer Suite (VIIRS)-derived Fire Event Data Suite (FEDS) and final fire perimeters from the California\'s Fire and Resource Assessment Program (FRAP). Although the GOES imagery used to derive GOFER has a coarser resolution (2 km at the Equator), the final fire perimeters from GOFER correspond reasonably well to those obtained from FRAP, with a mean Intersection-over-Union (IoU) of 0.77, in comparison to 0.83 between FEDS and FRAP; the IoU indicates the area of overlap over the area of the union relative to the reference perimeters, in which 0 is no agreement and 1 is perfect agreement. GOFER fills a key temporal gap present in other fire tracking products that rely on low-Earth-orbit imagery, where perimeters are available at intervals of 12 h or longer or at ad hoc intervals from aircraft overflights. This is particularly relevant when a fire spreads rapidly, such as at maximum hourly spread rates of over 5 km h−1. Our GOFER algorithm for deriving the hourly fire progression using GOES can be applied to large wildfires across North and South America and reveals considerable variability in the rates of fire spread on diurnal timescales. The resulting GOFER product has a broad set of potential applications, including the development of predictive models for fire spread and the improvement of atmospheric transport models for surface smoke estimates. The resulting GOFER product has a broad set of potential applications, including the development of predictive models for fire spread and the improvement of atmospheric transport models for surface smoke estimates (https://doi.org/10.5281/zenodo.8327264, Liu et al., 2023).<\/p>","publication_date":"2024-03-15T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Earth System Science Data (Online)","journal_issue":"3","journal_volume":"16","format":"Medium: X; Size: p. 1395-1424","authors":["Liu, Tianjia (ORCID:0000000331290154)","Randerson, James T.","Chen, Yang (ORCID:0000000209937081)","Morton, Douglas C.","Wiggins, Elizabeth B.","Smyth, Padhraic","Foufoula-Georgiou, Efi (ORCID:000000031078231X)","Nadler, Roy","Nevo, Omer"],"article_type":"Published Article","doe_contract_number":"AC52-07NA27344; No. 22-ERD-008; RUBISCO Science Focus Area","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1866-3516","other_identifiers":["Journal ID: ISSN 1866-3516"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323952"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323952"}]}, {"osti_id":"2323935","title":"A global gridded dataset for cloud vertical structure from combined CloudSat and CALIPSO observations","doi":"10.5194/essd-16-1301-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Earth System Science Data (Online) Journal Volume: 16 Journal Issue: 3","description":"<p>Abstract. The vertical structure of clouds has a profound effect on the global energy budget, the global circulation, and the atmospheric hydrological cycle. The CloudSat and Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) missions have taken complementary, colocated observations of cloud vertical structure for over a decade. However, no globally gridded dataset is available to the public for the full length of this unique combined data record. Here we present the 3S-GEOPROF-COMB product (Bertrand et al. 2023, https://doi.org/10.5281/zenodo.8057791), a globally gridded (level 3S) community data product summarizing geometrical profiles (GEOPROF) of hydrometeor occurrence from combined (COMB) CloudSat and CALIPSO data. Our product is calculated from the latest release (R05) of per-orbit (level-2) combined cloud mask profiles. We process a set of cloud cover, vertical cloud fraction, and sampling variables at 2.5, 5, and 10° spatial resolutions and monthly and seasonal temporal resolutions. We address the 2011 reduction in CloudSat data collection with Daylight-Only Operations (DO-Op) mode by subsampling pre-2011 data to mimic DO-Op collection patterns, thereby allowing users to evaluate the impact of the reduced sampling on their analyses. We evaluate our data product against CloudSat-only and CALIPSO-only global-gridded data products as well as four comparable surface-based sites, underscoring the added value of the combined product. Interest in the product is anticipated for the study of cloud processes, cloud–climate interactions, and as a candidate baseline climate data record for comparison to follow-up satellite missions, among other uses.<\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Earth System Science Data (Online)","journal_issue":"3","journal_volume":"16","format":"Medium: X; Size: p. 1301-1316","authors":["Bertrand, Leah (ORCID:0009000001607558)","Kay, Jennifer E.","Haynes, John","de Boer, Gijs (ORCID:0000000346527150)"],"article_type":"Published Article","doe_contract_number":"SC0013306","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1866-3516","other_identifiers":["Journal ID: ISSN 1866-3516"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323935"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323935"}]}, {"osti_id":"2323592","title":"Graphitic Carbon Nitride Quantum Dots (g‐C\n <sub>3<\/sub>\n N\n <sub>4<\/sub>\n QDs): From Chemistry to Applications","doi":"10.1002/cssc.202301462","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: ChemSusChem","description":"<title>Abstract<\/title>\n <p>\n Since their emergence in 2014, graphitic carbon nitride quantum dots (g‐C\n <sub>3<\/sub>\n N\n <sub>4<\/sub>\n QDs) have attracted much interest from the scientific community due to their distinctive physicochemical features, including structural, morphological, electrochemical, and optoelectronic properties. Owing to their desirable characteristics, such as non‐zero band gap, ability to be chemically functionalized or doped, possessing tunable properties, outstanding dispersibility in different media, and biocompatibility, g‐C\n <sub>3<\/sub>\n N\n <sub>4<\/sub>\n QDs have shown promise for photocatalysis, energy devices, sensing, bioimaging, solar cells, optoelectronics, among other applications. As these fields are rapidly evolving, it is very strenuous to pinpoint the emerging challenges of the g‐C\n <sub>3<\/sub>\n N\n <sub>4<\/sub>\n QDs development and application during the last decade, mainly due to the lack of critical reviews of the innovations in the g‐C\n <sub>3<\/sub>\n N\n <sub>4<\/sub>\n QDs synthesis pathways and domains of application. Herein, an extensive survey is conducted on the g‐C\n <sub>3<\/sub>\n N\n <sub>4<\/sub>\n QDs synthesis, characterization, and applications. Scenarios for the future development of g‐C\n <sub>3<\/sub>\n N\n <sub>4<\/sub>\n QDs and their potential applications are highlighted and discussed in detail. The provided critical section suggests a myriad of opportunities for g‐C\n <sub>3<\/sub>\n N\n <sub>4<\/sub>\n QDs, especially for their synthesis and functionalization, where a combination of eco‐friendly/single step synthesis and chemical modification may be used to prepare g‐C\n <sub>3<\/sub>\n N\n <sub>4<\/sub>\n QDs with, for example, enhanced photoluminescence and production yields.\n <\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"ChemSusChem","format":"Medium: X","authors":["Majdoub, Mohammed [Center for Graphene Research and Innovation University of Mississippi University MS 38677 United States] (ORCID:0000000256740089)","Sengottuvelu, Dineshkumar [Center for Graphene Research and Innovation University of Mississippi University MS 38677 United States] (ORCID:000000025110450X)","Nouranian, Sasan [Center for Graphene Research and Innovation University of Mississippi University MS 38677 United States, Department of Chemical Engineering University of Mississippi University MS 38677 United States] (ORCID:0000000283192786)","Al‐Ostaz, Ahmed [Center for Graphene Research and Innovation University of Mississippi University MS 38677 United States, Department of Civil Engineering University of Mississippi University MS 38677 United States] (ORCID:0000000331015996)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"SC0024072","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1864-5631","other_identifiers":["Journal ID: ISSN 1864-5631; e202301462"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323592"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323592"}]}, {"osti_id":"2323584","title":"VpROM: a novel variational autoencoder-boosted reduced order model for the treatment of parametric dependencies in nonlinear systems","doi":"10.1038/s41598-024-56118-x","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Scientific Reports Journal Volume: 14 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Reduced Order Models (ROMs) are of considerable importance in many areas of engineering in which computational time presents difficulties. Established approaches employ projection-based reduction, such as Proper Orthogonal Decomposition. The limitation of the linear nature of such operators is typically tackled via a library of local reduction subspaces, which requires the assembly of numerous local ROMs to address parametric dependencies. Our work attempts to define a more generalisable mapping between parametric inputs and reduced bases for the purpose of generative modeling. We propose the use of Variational Autoencoders (VAEs) in place of the typically utilised clustering or interpolation operations, for inferring the fundamental vectors, termed as modes, which approximate the manifold of the model response for any and each parametric input state. The derived ROM still relies on projection bases, built on the basis of full-order model simulations, thus retaining the imprinted physical connotation. However, it additionally exploits a matrix of coefficients that relates each local sample response and dynamics to the global phenomena across the parametric input domain. The VAE scheme is utilised for approximating these coefficients for any input state. This coupling leads to a high-precision low-order representation, which is particularly suited for problems where model dependencies or excitation traits cause the dynamic behavior to span multiple response regimes. Moreover, the probabilistic treatment of the VAE representation allows for uncertainty quantification on the reduction bases, which may then be propagated to the ROM response. The performance of the proposed approach is validated on an open-source simulation benchmark featuring hysteresis and multi-parametric dependencies, and on a large-scale wind turbine tower characterised by nonlinear material behavior and model uncertainty.<\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: X","authors":["Simpson, Thomas","Vlachas, Konstantinos","Garland, Anthony","Dervilis, Nikolaos","Chatzi, Eleni"],"article_type":"Published Article","doe_contract_number":"NA0003525","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; 6091; PII: 56118"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323584"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323584"}]}, {"osti_id":"2323966","title":"A framework of computer vision-enhanced microfluidic approach for automated assessment of the transient sickling kinetics in sickle red blood cells","doi":"10.3389/fphy.2024.1331047","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Physics Journal Volume: 12","description":"<p>\n The occurrence of vaso-occlusive crisis greatly depends on the competition between the sickling delay time and the transit time of individual sickle cells, i.e., red blood cells from sickle cell disease (SCD) patients, while they are traversing the circulatory system. Many drugs for treating SCD work by inhibiting the polymerization of sickle hemoglobin (HbS), effectively delaying the sickling process in sickle cells (SS RBCs). Most previous studies on screening anti-sickling drugs, such as voxelotor, rely on\n <italic>in vitro<\/italic>\n testing of sickling characteristics, often conducted under prolonged deoxygenation for up to 1 hour. However, since the microcirculation of RBCs typically takes less than 1 minute, the results of these studies may be less accurate and less relevant for in vitro-in vivo correlation. In our current study, we introduce a computer vision-enhanced microfluidic framework designed to automatically capture the transient sickling kinetics of SS RBCs within a 1-min timeframe. Our study has successfully detected differences in the transient sickling kinetics between vehicle control and voxelotor-treated SS RBCs. This approach has the potential for broader applications in screening anti-sickling therapies.\n <\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Physics","journal_volume":"12","format":"Medium: X","authors":["Qiang, Yuhao","Xu, Mengjia","Pochron, Mira Patel","Jupelli, Madhulika","Dao, Ming"],"article_type":"Published Article","doe_contract_number":"SC0023191","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2296-424X","other_identifiers":["Journal ID: ISSN 2296-424X; 1331047"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323966"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323966"}]}, {"osti_id":"2323585","title":"Time-of-flight detection of terahertz phonon-polariton","doi":"10.1038/s41467-024-46515-1","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n A polariton is a fundamental quasiparticle that arises from strong light-matter interaction and as such has attracted wide scientific and practical interest. When light is strongly coupled to the crystal lattice, it gives rise to phonon-polaritons (PPs), which have been proven useful in the dynamical manipulation of quantum materials and the advancement of terahertz technologies. Yet, current detection and characterization methods of polaritons are still limited. Traditional techniques such as Raman or transient grating either rely on fine-tuning of external parameters or complex phase extraction techniques. To overcome these inherent limitations, we propose and demonstrate a technique based on a time-of-flight measurement of PPs. We resonantly launch broadband PPs with intense terahertz fields and measure the time-of-flight of each spectral component with time-resolved second harmonic generation. The time-of-flight information, combined with the PP attenuation, enables us to resolve the real and imaginary parts of the PP dispersion relation. We demonstrate this technique in the van der Waals magnets NiI\n <sub>2<\/sub>\n and MnPS\n <sub>3<\/sub>\n and reveal a hidden magnon-phonon interaction. We believe that this approach will unlock new opportunities for studying polaritons across diverse material systems and enhance our understanding of strong light-matter interaction.\n <\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Luo, Tianchuang (ORCID:0000000331530592)","Ilyas, Batyr (ORCID:0000000251352378)","Hoegen, A. von (ORCID:0000000259756350)","Lee, Youjin","Park, Jaena","Park, Je-Geun (ORCID:0000000239304226)","Gedik, Nuh (ORCID:0000000263944987)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 2276; PII: 46515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323585"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323585"}]}, {"osti_id":"2323599","title":"General Relativistic Stability and Gravitational Wave Content of Rotating Triaxial Neutron Stars","doi":"10.3390/sym16030343","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Symmetry Journal Volume: 16 Journal Issue: 3","description":"<p>Triaxial neutron stars can be sources of continuous gravitational radiation detectable by ground-based interferometers. The amplitude of the emitted gravitational wave can be greatly affected by the state of the hydrodynamical fluid flow inside the neutron star. In this work, we examine the most triaxial models along two sequences of constant rest mass, confirming their dynamical stability. We also study the response of a triaxial figure of quasiequilibrium under a variety of perturbations that lead to different fluid flows. Starting from the general relativistic compressible analog of the Newtonian Jacobi ellipsoid, we perform simulations of Dedekind-type flows. We find that in some cases the triaxial neutron star resembles a Riemann-S-type ellipsoid with minor rotation and gravitational wave emission as it evolves towards axisymmetry. The present results highlight the importance of understanding the fluid flow in the interior of a neutron star in terms of its gravitational wave content.<\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"MDPI AG","journal_name":"Symmetry","journal_issue":"3","journal_volume":"16","format":"Medium: X; Size: Article No. 343","authors":["Luo, Yufeng (ORCID:0000000246230683)","Tsokaros, Antonios (ORCID:0000000322428924)","Haas, Roland (ORCID:0000000314246178)","Uryū, Kōji (ORCID:0000000274733587)"],"article_type":"Published Article","doe_contract_number":"SC0019022","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2073-8994","other_identifiers":["Journal ID: ISSN 2073-8994; SYMMAM; PII: sym16030343"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323599"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323599"}]}, {"osti_id":"2323569","title":"ℤ2 × ℤ2 Equivariant Quantum Neural Networks: Benchmarking against Classical Neural Networks","doi":"10.3390/axioms13030188","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Axioms Journal Volume: 13 Journal Issue: 3","description":"<p>This paper presents a comparative analysis of the performance of Equivariant Quantum Neural Networks (EQNNs) and Quantum Neural Networks (QNNs), juxtaposed against their classical counterparts: Equivariant Neural Networks (ENNs) and Deep Neural Networks (DNNs). We evaluate the performance of each network with three two-dimensional toy examples for a binary classification task, focusing on model complexity (measured by the number of parameters) and the size of the training dataset. Our results show that the Z2×Z2 EQNN and the QNN provide superior performance for smaller parameter sets and modest training data samples.<\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"MDPI AG","journal_name":"Axioms","journal_issue":"3","journal_volume":"13","format":"Medium: X; Size: Article No. 188","authors":["Dong, Zhongtian (ORCID:0000000210003454)","Comajoan Cara, Marçal (ORCID:0009000126263752)","Dahale, Gopal Ramesh (ORCID:0009000581161950)","Forestano, Roy T. (ORCID:0000000203552076)","Gleyzer, Sergei (ORCID:0000000262228102)","Justice, Daniel (ORCID:0000000154502207)","Kong, Kyoungchul (ORCID:0000000345157303)","Magorsch, Tom (ORCID:0000000338900066)","Matchev, Konstantin T. (ORCID:0000000341829096)","Matcheva, Katia (ORCID:000000033074998X)","Unlu, Eyup B. (ORCID:0000000266836463)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231; SC0012447; SC0022148; SC0024407","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2075-1680","other_identifiers":["Journal ID: ISSN 2075-1680; AXIOB8; PII: axioms13030188"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323569"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323569"}]}, {"osti_id":"2317700","title":"Derivative-based pre-training of graph neural networks for materials property predictions","doi":"10.1039/D3DD00214D","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Digital Discovery Journal Volume: 3 Journal Issue: 3","description":"<p>General pre-training strategy of graph neural networks for materials science.<\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Digital Discovery","journal_issue":"3","journal_volume":"3","format":"Medium: X; Size: p. 586-593","authors":["Jia, Shuyi [Computational Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA] (ORCID:0000000318274432)","Parthasarathy, Akaash R. [Computational Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA] (ORCID:0000000246062798)","Feng, Rui [Computational Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA]","Cong, Guojing [Oak Ridge National Laboratory, Oak Ridge, TN, USA]","Zhang, Chao [Computational Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA]","Fung, Victor [Computational Science and Engineering, Georgia Institute of Technology, Atlanta, GA, USA] (ORCID:0000000233476983)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2635-098X","other_identifiers":["Journal ID: ISSN 2635-098X; DDIIAI"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317700"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317700"}]}, {"osti_id":"2323593","title":"Intergranular corrosion of Ni-30Cr in high-temperature hydrogenated water after removing surface passivating film","doi":"10.1038/s41529-024-00442-0","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: npj Materials Degradation Journal Volume: 8 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n High-resolution transmission electron microscopy and atom probe tomography are used to characterize the initial passivation and subsequent intergranular corrosion of degraded grain boundaries in a model Ni-30Cr alloy exposed to 360 °C hydrogenated water. Upon initial exposure for 1000 h, the alloy surface directly above the grain boundary forms a thin passivating film of Cr\n <sub>2<\/sub>\n O\n <sub>3<\/sub>\n , protecting the underlying grain boundary from intergranular corrosion. However, the metal grain boundary experiences severe Cr depletion and grain boundary migration during this initial exposure. To understand how Cr depletion affects further corrosion, the local protective film was sputtered away using a glancing angle focused ion beam. Upon further exposure, the surface fails to repassivate, and intergranular corrosion is observed through the Cr-depleted region. Through this combination of high-resolution microscopy and localized passive film removal, we show that, although high-Cr alloys are resistant to intergranular attack and stress corrosion cracking, degradation-induced changes in the underlying metal at grain boundaries make the material more susceptible once the initial passive film is breached.\n <\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"npj Materials Degradation","journal_issue":"1","journal_volume":"8","format":"Medium: X","authors":["Kruska, K. (ORCID:0000000173965338)","Olszta, M. J.","Wang, J.","Schreiber, D. K. (ORCID:0000000331015013)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2397-2106","other_identifiers":["Journal ID: ISSN 2397-2106; 25; PII: 442"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323593"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323593"}]}, {"osti_id":"2318633","title":"Quantifying hydroxyl radicals generated by a low-temperature plasma using coumarin: methodology and precautions","doi":"10.1039/D4CP00040D","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 11","description":"<p>The detection and quantification of hydroxyl radicals (HO˙) generated by low-temperature plasmas (LTPs) are crucial for understanding their role in diverse applications of plasma radiation.<\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"11","journal_volume":"26","format":"Medium: X; Size: p. 8651-8657","authors":["Ducrozet, Florent [Radiation Laboratory, University of Notre Dame, Notre Dame, IN 46556, USA] (ORCID:0000000315833964)","Sebastian, Amal [Radiation Laboratory, University of Notre Dame, Notre Dame, IN 46556, USA, Department of Physics and Astronomy, University of Notre Dame, Notre Dame, IN 46556, USA]","Garcia Villavicencio, Cecilia Julieta [Radiation Laboratory, University of Notre Dame, Notre Dame, IN 46556, USA, Department of Physics and Astronomy, University of Notre Dame, Notre Dame, IN 46556, USA]","Ptasinska, Sylwia [Radiation Laboratory, University of Notre Dame, Notre Dame, IN 46556, USA, Department of Physics and Astronomy, University of Notre Dame, Notre Dame, IN 46556, USA] (ORCID:0000000275508189)","Sicard-Roselli, Cécile [Institut de Chimie Physique, UMR 8000, CNRS, Université Paris-Saclay, 91405 Orsay, France] (ORCID:0009000419819742)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318633"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318633"}]}, {"osti_id":"2323389","title":"Short-depth QAOA circuits and quantum annealing on higher-order ising models","doi":"10.1038/s41534-024-00825-w","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: npj Quantum Information Journal Volume: 10 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n We present a direct comparison between QAOA (Quantum Alternating Operator Ansatz), and QA (Quantum Annealing) on 127 qubit problem instances. QAOA with\n <italic>p<\/italic>\n = 1, 2 rounds is executed on the 127 qubit heavy-hex graph gate-model quantum computer ibm_washington, using on-device grid-searches for angle finding, and QA is executed on two Pegasus-chip D-Wave quantum annealers. The problems are random Ising models whose connectivity matches heavy-hex graphs and the Pegasus graph connectivity, and optionally include hardware-compatible cubic terms (\n <italic>Z<\/italic>\n <italic>Z<\/italic>\n <italic>Z<\/italic>\n terms). The QAOA circuits are heavily optimized and of extremely short depth, with a CNOT depth of 6 per round, which allows whole chip usage of the heavy-hex lattice. QAOA and QA are both compared against simulated annealing and the optimal solutions are computed exactly using CPLEX. The noiseless mean QAOA expectation values for\n <italic>p<\/italic>\n = 1, 2 are computed using classical light-cone based simulations. We find QA outperforms QAOA on the evaluated devices.\n <\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"npj Quantum Information","journal_issue":"1","journal_volume":"10","format":"Medium: X","authors":["Pelofske, Elijah (ORCID:000000032673796X)","Bärtschi, Andreas","Eidenbenz, Stephan"],"article_type":"Published Article","doe_contract_number":"20220656ER","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2056-6387","other_identifiers":["Journal ID: ISSN 2056-6387; 30; PII: 825"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323389"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323389"}]}, {"osti_id":"2310428","title":"Physics-informed models of domain wall dynamics as a route for autonomous domain wall design\n <i>via<\/i>\n reinforcement learning","doi":"10.1039/D3DD00126A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Digital Discovery Journal Volume: 3 Journal Issue: 3","description":"<p>Prompted by limited available data, we explore data-aggregation strategies for material datasets, aiming to boost machine learning performance. Our findings suggest that intuitive aggregation schemes are ineffective in enhancing predictive accuracy.<\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Digital Discovery","journal_issue":"3","journal_volume":"3","format":"Medium: X; Size: p. 456-466","authors":["Smith, Benjamin R. [Bredesen Center for Interdisciplinary Research, University of Tennessee, Knoxville, TN 37996, USA, Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA] (ORCID:0000000189445599)","Pant, Bharat [Department of Materials Science and Engineering, University of Texas at Arlington, Arlington, TX 76019, USA] (ORCID:0000000229120319)","Liu, Yongtao [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA]","Liu, Yu-Chen [Department of Physics, National Cheng Kung University, Tainan 70101, Taiwan]","Yang, Jan-Chi [Department of Physics, National Cheng Kung University, Tainan 70101, Taiwan] (ORCID:0000000235494392)","Jesse, Stephen [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA]","Khojandi, Anahita [Department of Industrial and Systems Engineering, University of Tennessee, Knoxville, TN 37996, USA] (ORCID:0000000168182048)","Kalinin, Sergei V. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996, USA]","Cao, Ye [Department of Materials Science and Engineering, University of Texas at Arlington, Arlington, TX 76019, USA]","Vasudevan, Rama K. [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA] (ORCID:0000000346928579)"],"article_type":"Published Article","doe_contract_number":"SC0019288","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2635-098X","other_identifiers":["Journal ID: ISSN 2635-098X; DDIIAI"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310428"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310428"}]}, {"osti_id":"2309767","title":"Active learning of neural network potentials for rare events","doi":"10.1039/D3DD00216K","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Digital Discovery Journal Volume: 3 Journal Issue: 3","description":"<p>Developing an automated active learning framework for Neural Network Potentials, focusing on accurately simulating bond-breaking in hexane chains through steered molecular dynamics sampling and assessing model transferability.<\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Digital Discovery","journal_issue":"3","journal_volume":"3","format":"Medium: X; Size: p. 514-527","authors":["Jung, Gang Seob [Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA] (ORCID:0000000280476505)","Choi, Jong Youl [Computer Sciences and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA] (ORCID:0000000264596152)","Lee, Sangkeun Matthew [Computer Sciences and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA] (ORCID:0000000213175112)"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2635-098X","other_identifiers":["Journal ID: ISSN 2635-098X; DDIIAI"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309767"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309767"}]}, {"osti_id":"2323586","title":"Speeding genomic island discovery through systematic design of reference database composition","doi":"10.1371/journal.pone.0298641","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: PLoS ONE Journal Volume: 19 Journal Issue: 3","description":"<sec id=\'sec001\'>\n <title>Background<\/title>\n <p>Genomic islands (GIs) are mobile genetic elements that integrate site-specifically into bacterial chromosomes, bearing genes that affect phenotypes such as pathogenicity and metabolism. GIs typically occur sporadically among related bacterial strains, enabling comparative genomic approaches to GI identification. For a candidate GI in a query genome, the number of reference genomes with a precise deletion of the GI serves as a support value for the GI. Our comparative software for GI identification was slowed by our original use of large reference genome databases (DBs). Here we explore smaller species-focused DBs.<\/p>\n <\/sec>\n <sec id=\'sec002\'>\n <title>Results<\/title>\n <p>\n With increasing DB size, recovery of our reliable prophage GI calls reached a plateau, while recovery of less reliable GI calls (FPs) increased rapidly as DB sizes exceeded ~500 genomes; i.e., overlarge DBs can increase FP rates. Paradoxically, relative to prophages, FPs were both more frequently supported only by genomes outside the species and more frequently supported only by genomes inside the species; this may be due to their generally lower support values. Setting a DB size limit for our\n <bold>SMA<\/bold>\n ll\n <bold>R<\/bold>\n anked\n <bold>T<\/bold>\n ailored (SMART) DB design speeded runtime ~65-fold. Strictly intra-species DBs would tend to lower yields of prophages for small species (with few genomes available); simulations with large species showed that this could be partially overcome by reaching outside the species to closely related taxa, without an FP burden. Employing such taxonomic outreach in DB design generated redundancy in the DB set; as few as 2984 DBs were needed to cover all 47894 prokaryotic species.\n <\/p>\n <\/sec>\n <sec id=\'sec003\'>\n <title>Conclusions<\/title>\n <p>Runtime decreased dramatically with SMART DB design, with only minor losses of prophages. We also describe potential utility in other comparative genomics projects.<\/p>\n <\/sec>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Public Library of Science (PLoS)","journal_name":"PLoS ONE","journal_issue":"3","journal_volume":"19","format":"Medium: X; Size: Article No. e0298641","authors":["Yu, Steven L. (ORCID:0009000142090046)","Mageeney, Catherine M.","Shormin, Fatema","Ghaffari, Noushin","Williams, Kelly P. (ORCID:0000000226069562)","Moreno-Hagelsieb, ed., Gabriel"],"article_type":"Published Article","doe_contract_number":"222466","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1932-6203","other_identifiers":["Journal ID: ISSN 1932-6203; 10.1371/journal.pone.0298641"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323586"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323586"}]}, {"osti_id":"2323963","title":"Revealing Fermi surface evolution and Berry curvature in an ideal type-II Weyl semimetal","doi":"10.1038/s41467-024-46633-w","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n In type-II Weyl semimetals (WSMs), the tilting of the Weyl cones leads to the coexistence of electron and hole pockets that touch at the Weyl nodes. These electrons and holes experience the Berry curvature generated by the Weyl nodes, leading to an anomalous Hall effect that is highly sensitive to the Fermi level position. Here we have identified field-induced ferromagnetic MnBi\n <sub>2-x<\/sub>\n Sb\n <sub>x<\/sub>\n Te\n <sub>4<\/sub>\n as an ideal type-II WSM with a single pair of Weyl nodes. By employing a combination of quantum oscillations and high-field Hall measurements, we have resolved the evolution of Fermi-surface sections as the Fermi level is tuned across the charge neutrality point, precisely matching the band structure of an ideal type-II WSM. Furthermore, the anomalous Hall conductivity exhibits a heartbeat-like behavior as the Fermi level is tuned across the Weyl nodes, a feature of type-II WSMs that was long predicted by theory. Our work uncovers a large free carrier contribution to the anomalous Hall effect resulting from the unique interplay between the Fermi surface and diverging Berry curvature in magnetic type-II WSMs.\n <\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Jiang, Qianni (ORCID:0009000505997334)","Palmstrom, Johanna C. (ORCID:0000000292040629)","Singleton, John (ORCID:0000000161096905)","Chikara, Shalinee (ORCID:0000000288194465)","Graf, David (ORCID:0000000161950462)","Wang, Chong (ORCID:0000000286463529)","Shi, Yue (ORCID:0000000215704444)","Malinowski, Paul","Wang, Aaron (ORCID:0000000321369758)","Lin, Zhong","Shen, Lingnan","Xu, Xiaodong","Xiao, Di (ORCID:0000000301656848)","Chu, Jiun-Haw (ORCID:0000000162221210)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 2310; PII: 46633"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323963"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323963"}]}, {"osti_id":"2323573","title":"Effects of edge-localized electron cyclotron current drive on edge-localized mode suppression by resonant magnetic perturbations in DIII-D","doi":"10.1088/1741-4326/ad2ca8","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion Journal Volume: 64 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>\n According to recent DIII-D experiments (Logan\n <italic>et al<\/italic>\n 2024\n <italic>Nucl. Fusion<\/italic>\n <bold>64<\/bold>\n 014003), injecting edge localized electron cyclotron current drive (ECCD) in the counter-plasma-current (counter-\n <italic>I<\/italic>\n <sub>p<\/sub>\n ) direction reduces the\n <italic>n<\/italic>\n = 3 resonant magnetic perturbation (RMP) current threshold for edge-localized mode (ELM) suppression, while co-\n <italic>I<\/italic>\n <sub>p<\/sub>\n ECCD during the suppressed ELM phase causes a back transition to ELMing. This paper presents nonlinear two-fluid simulations on the ECCD manipulation of edge magnetic islands induced by RMP using the TM1 code. In the presence of a magnetic island chain at the pedestal-top, co-\n <italic>I<\/italic>\n <sub>p<\/sub>\n ECCD is found to decrease the island width and restore the initially degraded pedestal pressure when its radial deposition location is close to the rational surface of the island. With a sufficiently strong co-\n <italic>I<\/italic>\n <sub>p<\/sub>\n ECCD current, the RMP-driven magnetic island can be healed, and the pedestal pressure fully recovers to its initial ELMing state. On the contrary, counter-\n <italic>I<\/italic>\n <sub>p<\/sub>\n ECCD is found to increase the island width and further reduce the pedestal pressure to levels significantly below the peeling-ballooning-mode limited height, leading to even stationary ELM suppression. These simulations align with the results from DIII-D experiments. However, when multiple magnetic island chains are present at the pedestal-top, the ECCD current experiences substantial broadening, and its effects on the island width and pedestal pressure become negligible. Further simulations reveal that counter-\n <italic>I<\/italic>\n <sub>p<\/sub>\n ECCD enhances RMP penetration by lowering the penetration threshold, with the degree of reduction proportional to the amplitude of ECCD current. For the ∼1 MW ECCD in DIII-D, the predicted decrease in the RMP penetration threshold for ELM suppression is approximately 20%, consistent with experimental observations. These simulations indicate that edge-localized ECCD can be used to either facilitate RMP-driven ELM suppression or optimize the confinement degradation.\n <\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","journal_issue":"4","journal_volume":"64","format":"Medium: X; Size: Article No. 046027","authors":["Hu, Q. M. (ORCID:0000000288774988)","Logan, N. C. (ORCID:0000000232687359)","Yu, Q. (ORCID:0000000327224445)","Bortolon, A. (ORCID:0000000200940209)"],"article_type":"Published Article","doe_contract_number":"AC02-09CH11466; CfP-FSD-AWP24-ENR","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323573"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323573"}]}, {"osti_id":"2323578","title":"Exploring Spin‐Orbit Effects in a [Cu\n <sub>6<\/sub>\n Tl]\n <sup>+<\/sup>\n Nanocluster Featuring an Uncommon Tl−H Interaction","doi":"10.1002/chem.202400390","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Chemistry - A European Journal","description":"<title>Abstract<\/title>\n <p>\n Reaction of [CuH(PPh\n <sub>3<\/sub>\n )]\n <sub>6<\/sub>\n with 1 equiv. of Tl(OTf) results in formation of [Cu\n <sub>6<\/sub>\n TlH\n <sub>6<\/sub>\n (PPh\n <sub>3<\/sub>\n )\n <sub>6<\/sub>\n ][OTf] (\n <bold>[1]OTf]<\/bold>\n ), which can be isolated in good yields. Variable‐temperature\n <sup>1<\/sup>\n H NMR spectroscopy, in combination with density functional theory (DFT) calculations, confirms the presence of a rare Tl−H orbital interaction. According to DFT, the\n <sup>1<\/sup>\n H chemical shift of the Tl‐adjacent hydride ligands of\n <bold>[1]<\/bold>\n <sup>+<\/sup>\n includes 7.7 ppm of deshielding due to spin‐orbit effects from the heavy Tl atom. This study provides valuable new insights into a rare class of metal hydrides, given that\n <bold>[1][OTf]<\/bold>\n is only the third isolable species reported to contain a Tl−H interaction.\n <\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Chemistry - A European Journal","format":"Medium: X","authors":["Hertler, Phoebe R. [Department of Chemistry and Biochemistry University of California, Santa Barbara Santa Barbara CA 93106]","Yu, Xiaojuan [Department of Chemistry University at Buffalo State University of New York Buffalo NY 14260]","Brower, Jordan D. [Department of Chemistry and Biochemistry University of California, Santa Barbara Santa Barbara CA 93106]","Nguyen, Thuy‐Ai D. [Department of Chemistry and Biochemistry University of California, Santa Barbara Santa Barbara CA 93106]","Wu, Guang [Department of Chemistry and Biochemistry University of California, Santa Barbara Santa Barbara CA 93106]","Autschbach, Jochen [Department of Chemistry University at Buffalo State University of New York Buffalo NY 14260]","Hayton, Trevor W. [Department of Chemistry and Biochemistry University of California, Santa Barbara Santa Barbara CA 93106] (ORCID:0000000343701424)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0947-6539","other_identifiers":["Journal ID: ISSN 0947-6539; e202400390"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323578"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323578"}]}, {"osti_id":"2323571","title":"Low-Temperature Characterization of a Nonaqueous Liquid Electrolyte for Lithium Batteries","doi":"10.1149/1945-7111/ad2d91","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society Journal Volume: 171 Journal Issue: 3","description":"<p>Rechargeable batteries exhibit poor performance at low temperatures due to sluggish ion transport through the electrolytic phase. Ion transport is governed by three transport parameters—conductivity, diffusion coefficient, and the cation transference number with respect to the solvent velocity—and the thermodynamic factor. Understanding how these parameters change with temperature is necessary for designing improved electrolytes. In this work, we combine electrochemical techniques with electrophoretic NMR to determine the temperature dependence of these parameters for a liquid electrolyte, LiTFSI salt dissolved in tetraglyme between −20 and 45 °C. At colder temperatures, all species in the electrolyte tend to move more slowly due to increasing viscosity, which translates to a monotonic decrease in conductivity and diffusion coefficient with decreasing temperature. Surprisingly, we find that the field-induced velocity of solvent molecules at a particular salt concentration is a nonmonotonic function of temperature. The cation transference number with respect to the solvent velocity thus exhibits a complex dependence on temperature and salt concentration. The measured thermodynamic and transport properties are used to predict concentration gradients that will form in a lithium-lithium symmetric cell under a constant applied potential as a function of temperature using concentrated solution theory. The calculated steady current at −20 °C is lower than that at 45 °C by roughly two orders of magnitude.<\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"Journal of the Electrochemical Society","journal_issue":"3","journal_volume":"171","format":"Medium: X; Size: Article No. 030514","authors":["Hickson, Darby T. (ORCID:0000000251339755)","Im, Julia (ORCID:0000000266332513)","Halat, David M. (ORCID:0000000209191689)","Karvat, Aakash","Reimer, Jeffrey A. (ORCID:0000000241913725)","Balsara, Nitash P. (ORCID:0000000201065565)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323571"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323571"}]}, {"osti_id":"2323962","title":"Thermodynamic properties and enhancement of diamagnetism in nitrogen doped lutetium hydride synthesized at high pressure","doi":"10.1073/pnas.2321540121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 12","description":"<p>\n Nitrogen doped lutetium hydride has drawn global attention in the pursuit of room-temperature superconductivity near ambient pressure and temperature. However, variable synthesis techniques and uncertainty surrounding nitrogen concentration have contributed to extensive debate within the scientific community about this material and its properties. We used a solid-state approach to synthesize nitrogen doped lutetium hydride at high pressure and temperature (HPT) and analyzed the residual starting materials to determine its nitrogen content. High temperature oxide melt solution calorimetry determined the formation enthalpy of LuH\n <sub>1.96<\/sub>\n N\n <sub>0.02<\/sub>\n (LHN) from LuH\n <sub>2<\/sub>\n and LuN to be −28.4 ± 11.4 kJ/mol. Magnetic measurements indicated diamagnetism which increased with nitrogen content. Ambient pressure conductivity measurements observed metallic behavior from 5 to 350 K, and the constant and parabolic magnetoresistance changed with increasing temperature. High pressure conductivity measurements revealed that LHN does not exhibit superconductivity up to 26.6 GPa. We compressed LHN in a diamond anvil cell to 13.7 GPa and measured the Raman signal at each step, with no evidence of any phase transition. Despite the absence of superconductivity, a color change from blue to purple to red was observed with increasing pressure. Thus, our findings confirm the thermodynamic stability of LHN, do not support superconductivity, and provide insights into the origins of its diamagnetism.\n <\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"12","journal_volume":"121","format":"Medium: X","authors":["Han, Yifeng [Center for Materials of the Universe, School of Molecular Sciences, Arizona State University, Tempe, AZ 85287]","Ou, Yunbo [School for Engineering of Matter Transport and Energy, Arizona State University, Tempe, AZ 85287]","Sun, Hualei [School of Science, Sun Yat-Sen University, Shenzhen 518107, R.P. China]","Kopaczek, Jan [School for Engineering of Matter Transport and Energy, Arizona State University, Tempe, AZ 85287, Department of Semiconductor Materials Engineering, Faculty of Fundamental Problems of Technology, Wroclaw University of Science and Technology, Wrocław 50-370, Poland]","Leonel, Gerson J. [Center for Materials of the Universe, School of Molecular Sciences, Arizona State University, Tempe, AZ 85287]","Guo, Xin [Eyring Materials Center, Arizona State University, Tempe, AZ 85287]","Brugman, Benjamin L. [Center for Materials of the Universe, School of Molecular Sciences, Arizona State University, Tempe, AZ 85287]","Leinenweber, Kurt [Center for Materials of the Universe, School of Molecular Sciences, Arizona State University, Tempe, AZ 85287] (ORCID:0000000192430494)","Xu, Hongwu [Center for Materials of the Universe, School of Molecular Sciences, Arizona State University, Tempe, AZ 85287]","Wang, Meng [Center for Neutron Science and Technology, Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, School of Physics, Sun Yat-Sen University, Guangzhou 510275, R.P. China] (ORCID:0000000282322331)","Tongay, Sefaattin [School for Engineering of Matter Transport and Energy, Arizona State University, Tempe, AZ 85287]","Navrotsky, Alexandra [Center for Materials of the Universe, School of Molecular Sciences, Arizona State University, Tempe, AZ 85287, School for Engineering of Matter Transport and Energy, Arizona State University, Tempe, AZ 85287] (ORCID:0000000232600364)"],"article_type":"Published Article","doe_contract_number":"SC0021987; DOE-SC0020653","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2321540121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323962"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323962"}]}, {"osti_id":"2323373","title":"Insights into the Mechanism of Neptunium Oxidation to the Heptavalent State","report_number":"LA-UR-23-32946","doi":"10.1002/chem.202304049","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Chemistry - A European Journal","description":"<title>Abstract<\/title>\n <p>\n Neptunium can exist in multiple oxidation states, including the rare and poorly understood heptavalent form. In this work, we monitored the formation of heptavalent neptunium [Np(VII)O\n <sub>4<\/sub>\n (OH)\n <sub>2<\/sub>\n ]\n <sup>3−<\/sup>\n during ozonolysis of aqueous\n <italic>M<\/italic>\n OH (\n <italic>M<\/italic>\n =Li, Na, K) solutions using a combined experimental and theoretical approach. All experimental reactions were closely monitored via absorption and vibrational spectroscopy to follow both the oxidation state and the speciation of neptunium guided by the calculated vibrational frequencies for various neptunium species. The mechanism of the reaction partly involves oxidative dissolution of transient Np(VI) oxide/hydroxide solid phases, the identity of which are dependent on the co‐precipitating counter‐cation Li\n <sup>+<\/sup>\n /Na\n <sup>+<\/sup>\n /K\n <sup>+<\/sup>\n . Additional calculations suggest that the most favorable energetic pathway occurs through the reaction of a [Np(V)O\n <sub>2<\/sub>\n (OH)\n <sub>4<\/sub>\n ]\n <sup>3−<\/sup>\n with the hydroxide radical to form [Np(VI)O\n <sub>2<\/sub>\n (OH)\n <sub>4<\/sub>\n ]\n <sup>2−<\/sup>\n , followed by an additional oxidation with HO⋅ to create [Np(VII)O\n <sub>4<\/sub>\n (OH)\n <sub>2<\/sub>\n ]\n <sup>3−<\/sup>\n .\n <\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Chemistry - A European Journal","format":"Medium: X","authors":["Kravchuk, Dmytro V. [Department of Chemistry University of Iowa Iowa City Iowa 52242 United States]","Augustine, Logan J. [Department of Chemistry University of Iowa Iowa City Iowa 52242 United States, Theoretical Division Los Alamos National Laboratory Los Alamos New Mexico 87545 United States]","Rajapaksha, Harindu [Department of Chemistry University of Iowa Iowa City Iowa 52242 United States]","Benthin, Grant C. [Department of Chemistry University of Iowa Iowa City Iowa 52242 United States]","Batista, Enrique R. [Theoretical Division Los Alamos National Laboratory Los Alamos New Mexico 87545 United States]","Yang, Ping [Theoretical Division Los Alamos National Laboratory Los Alamos New Mexico 87545 United States]","Forbes, Tori Z. [Department of Chemistry University of Iowa Iowa City Iowa 52242 United States] (ORCID:0000000252348127)"],"article_type":"Published Article","doe_contract_number":"SC0021420; SC0014664; AC52-06NA25396; 89233218CNA000001","subjects":[],"orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC). Office of Basic Energy Sciences (BES) (SC-32)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC). Office of Basic Energy Sciences (BES) (SC-32)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0947-6539","other_identifiers":["Journal ID: ISSN 0947-6539; e202304049"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323373"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323373"}]}, {"osti_id":"2323352","title":"Intermittency and Dissipative Structures Arising from Relativistic Magnetized Turbulence","doi":"10.3847/1538-4357/ad284c","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 964 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Kinetic simulations of relativistic turbulence have significantly advanced our understanding of turbulent particle acceleration. Recent progress has highlighted the need for an updated acceleration theory that can account for particle acceleration within the plasma’s coherent structures. Here, we investigate how intermittency modeling connects statistical fluctuations in turbulence to regions of high-energy dissipation. This connection is established by employing a generalized She–Leveque model to characterize the exponents\n <italic>ζ<\/italic>\n <sub>\n <italic>p<\/italic>\n <\/sub>\n for the structure functions\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <msup>\n <mrow>\n <mi>S<\/mi>\n <\/mrow>\n <mrow>\n <mi>p<\/mi>\n <\/mrow>\n <\/msup>\n <mo>∝<\/mo>\n <msup>\n <mrow>\n <mi>l<\/mi>\n <\/mrow>\n <mrow>\n <msub>\n <mrow>\n <mi>ζ<\/mi>\n <\/mrow>\n <mrow>\n <mi>p<\/mi>\n <\/mrow>\n <\/msub>\n <\/mrow>\n <\/msup>\n <\/math>\n <inline-graphic href=\'apjad284cieqn1.gif\' type=\'simple\'/>\n <\/inline-formula>\n . The fitting of the scaling exponents provides us with a measure of the codimension of the dissipative structures, for which we subsequently determine the filling fraction. We perform our analysis for a range of magnetizations\n <italic>σ<\/italic>\n and relative fluctuation amplitudes\n <italic>δ<\/italic>\n <italic>B<\/italic>\n <sub>0<\/sub>\n /\n <italic>B<\/italic>\n <sub>0<\/sub>\n . We find that increasing values of\n <italic>σ<\/italic>\n and\n <italic>δ<\/italic>\n <italic>B<\/italic>\n <sub>0<\/sub>\n /\n <italic>B<\/italic>\n <sub>0<\/sub>\n allow the turbulent cascade to break sheetlike structures into smaller regions of dissipation that resemble chains of flux ropes. However, as their dissipation measure increases, the dissipative regions become less volume filling. With this work, we aim to inform future turbulent acceleration theories that incorporate particle energization from interactions with coherent structures within relativistic turbulence.\n <\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"1","journal_volume":"964","format":"Medium: X; Size: Article No. 14","authors":["Davis, Zachary (ORCID:0000000209599991)","Comisso, Luca (ORCID:0000000188228031)","Giannios, Dimitrios (ORCID:0000000315032446)"],"article_type":"Published Article","doe_contract_number":"AC02-06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323352"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323352"}]}, {"osti_id":"2323354","title":"High entropy ceramics for applications in extreme environments","doi":"10.1088/2515-7639/ad2ec5","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: JPhys Materials Journal Volume: 7 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Compositionally complex materials have demonstrated extraordinary promise for structural robustness in extreme environments. Of these, the most commonly thought of are high entropy alloys, where chemical complexity grants uncommon combinations of hardness, ductility, and thermal resilience. In contrast to these metal-metal bonded systems, the addition of ionic and covalent bonding has led to the discovery of high entropy ceramics. These materials also possess outstanding structural, thermal, and chemical robustness but with a far greater variety of functional properties which enable access to continuously controllable magnetic, electronic, and optical phenomena. In this experimentally focused perspective, we outline the potential for high entropy ceramics in functional applications under extreme environments, where intrinsic stability may provide a new path toward inherently hardened device design. Current works on high entropy carbides, actinide bearing ceramics, and high entropy oxides are reviewed in the areas of radiation, high temperature, and corrosion tolerance where the role of local disorder is shown to create pathways toward self-healing and structural robustness. In this context, new strategies for creating future electronic, magnetic, and optical devices to be operated in harsh environments are outlined.<\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"IOP Publishing","journal_name":"JPhys Materials","journal_issue":"2","journal_volume":"7","format":"Medium: X; Size: Article No. 021001","authors":["Ward, T. Z. (ORCID:0000000210279186)","Wilkerson, R. P. (ORCID:0000000170860362)","Musicó, B. L. (ORCID:0000000289757792)","Foley, A. (ORCID:0000000178750766)","Brahlek, M. (ORCID:0000000329000648)","Weber, W. J. (ORCID:0000000290177365)","Sickafus, K. E.","Mazza, A. R. (ORCID:0000000272061334)"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2515-7639","other_identifiers":["Journal ID: ISSN 2515-7639"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323354"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323354"}]}, {"osti_id":"2217566","title":"Optically active defects in carbon nanotubes\n <i>via<\/i>\n chlorination: computational insights","doi":"10.1039/D3LF00064H","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: RSC Applied Interfaces Journal Volume: 1 Journal Issue: 2","description":"<p>The effect of chlorination on the electronic structure and optical spectra of (6,2) carbon nanotubes is studied computationally, revealing optically active defect-related states when chlorines are placed close to each other at a dilute concentration.<\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"RSC Applied Interfaces","journal_issue":"2","journal_volume":"1","format":"Medium: X; Size: p. 281-300","authors":["Weight, Braden M. [Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108, USA, Department of Physics and Astronomy, University of Rochester, Rochester, NY 14627, USA] (ORCID:0000000224413569)","Gifford, Brendan J. [Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108, USA, Center for Integrated Nanotechnologies, Materials Physics and Applications Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA]","Tiffany, Grace [Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108, USA]","Henderson, Elva [Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108, USA, University of Pittsburgh, Pittsburgh, PA 15260, USA]","Mihaylov, Deyan [Theory Division, Laboratory for Laser Energetics, University of Rochester, Rochester, NY 14627, USA]","Kilin, Dmitri [Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108, USA] (ORCID:0000000178475549)","Kilina, Svetlana [Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108, USA] (ORCID:0000000313502790)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2755-3701","other_identifiers":["Journal ID: ISSN 2755-3701; RAISCD"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2217566"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2217566"}]}, {"osti_id":"2323583","title":"Teaching freight mode choice models new tricks using interpretable machine learning methods","doi":"10.3389/ffutr.2024.1339273","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Future Transportation Journal Volume: 5","description":"<p>Understanding and forecasting complex freight mode choice behavior under various industry, policy, and technology contexts is essential for freight planning and policymaking. Numerous models have been developed to provide insights into freight mode selection; most use discrete choice models such as multinomial logit (MNL) models. However, logit models often rely on linear specifications of independent variables despite potential nonlinear relationships in the data. A common challenge for researchers is the absence of a heuristic and efficient method to discern and define these complex relationships in logit model specifications. This often results in models that might be deficient in both predictive power and interpretability. To bridge this gap, we develop an MNL model for freight mode choice using the insights from machine learning (ML) models. ML models can better capture the nonlinear nature of many decision-making processes, and recent advances in “explainable AI” have greatly improved their interpretability. We showcase how interpretable ML methods help enhance the performance of MNL models and deepen our understanding of freight mode choice. Specifically, we apply SHapley Additive exPlanations (SHAP) to identify influential features and complex relationships to improve the MNL model’s performance. We evaluate this approach through a case study for Austin, Texas, where SHAP results reveal multiple important nonlinear relationships. Incorporating those relationships into MNL model specifications improves the interpretability and accuracy of the MNL model. Findings from this study can be used to guide freight planning and inform policymakers about how key factors affect freight decision-making.<\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Future Transportation","journal_volume":"5","format":"Medium: X","authors":["Xu, Xiaodan","Yang, Hung-Chia","Jeong, Kyungsoo","Bui, William","Ravulaparthy, Srinath","Laarabi, Haitam","Needell, Zachary A.","Spurlock, C. Anna"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2673-5210","other_identifiers":["Journal ID: ISSN 2673-5210; 1339273"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323583"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323583"}]}, {"osti_id":"2323362","title":"Assembly and Repair of Photosystem II in Chlamydomonas reinhardtii","doi":"10.3390/plants13060811","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Plants Journal Volume: 13 Journal Issue: 6","description":"<p>Oxygenic photosynthetic organisms use Photosystem II (PSII) to oxidize water and reduce plastoquinone. Here, we review the mechanisms by which PSII is assembled and turned over in the model green alga Chlamydomonas reinhardtii. This species has been used to make key discoveries in PSII research due to its metabolic flexibility and amenability to genetic approaches. PSII subunits originate from both nuclear and chloroplastic gene products in Chlamydomonas. Nuclear-encoded PSII subunits are transported into the chloroplast and chloroplast-encoded PSII subunits are translated by a coordinated mechanism. Active PSII dimers are built from discrete reaction center complexes in a process facilitated by assembly factors. The phosphorylation of core subunits affects supercomplex formation and localization within the thylakoid network. Proteolysis primarily targets the D1 subunit, which when replaced, allows PSII to be reactivated and completes a repair cycle. While PSII has been extensively studied using Chlamydomonas as a model species, important questions remain about its assembly and repair which are presented here.<\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"MDPI AG","journal_name":"Plants","journal_issue":"6","journal_volume":"13","format":"Medium: X; Size: Article No. 811","authors":["Mehra, Himanshu S. (ORCID:0009000519640934)","Wang, Xiaozhuo","Russell, Brandon P.","Kulkarni, Nidhi","Ferrari, Nicholas (ORCID:0000000159780839)","Larson, Brent","Vinyard, David J."],"article_type":"Published Article","doe_contract_number":"SC0020119","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2223-7747","other_identifiers":["Journal ID: ISSN 2223-7747; PLANCD; PII: plants13060811"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323362"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323362"}]}, {"osti_id":"2323356","title":"Formation of a constructed microbial community in a nutrient-rich environment indicates bacterial interspecific competition","doi":"10.1128/msystems.00006-24","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: mSystems","description":"<title>ABSTRACT<\/title>\n <sec>\n <title/>\n <p>\n Understanding the organizational principles of microbial communities is essential for interpreting ecosystem stability. Previous studies have investigated the formation of bacterial communities under nutrient-poor conditions or obligate relationships to observe cooperative interactions among different species. How microorganisms form stabilized communities in nutrient-rich environments, without obligate metabolic interdependency for growth, is still not fully disclosed. In this study, three bacterial strains isolated from the\n <italic>Populus deltoides<\/italic>\n rhizosphere were co-cultured in complex medium, and their growth behavior was tracked. These strains co-exist in mixed culture over serial transfer for multiple growth-dilution cycles. Competition is proposed as an emergent interaction relationship among the three bacteria based on their significantly decreased growth levels. The effects of different initial inoculum ratios, up to three orders of magnitude, on community structure were investigated, and the final compositions of the mixed communities with various starting composition indicate that community structure is not dependent on the initial inoculum ratio. Furthermore, the competitive relationships within the community were not altered by different initial inoculum ratios. The community structure was simulated by generalized Lotka-Volterra and dynamic flux balance analysis to provide mechanistic predictions into emergence of community structure under a nutrient-rich environment. Metaproteomic analyses provide support for the metabolite exchanges predicted by computational modeling and for highly altered physiologies when microbes are grown in co-culture. These findings broaden our understanding of bacterial community dynamics and metabolic diversity in higher-order interactions and could be significant in the management of rhizospheric bacterial communities.\n <\/p>\n <\/sec>\n <sec>\n <title>IMPORTANCE<\/title>\n <p>Bacteria naturally co-exist in multispecies consortia, and the ability to engineer such systems can be useful in biotechnology. Despite this, few studies have been performed to understand how bacteria form a stable community and interact with each other under nutrient-rich conditions. In this study, we investigated the effects of initial inoculum ratios on bacterial community structure using a complex medium and found that the initial inoculum ratio has no significant impact on resultant community structure or on interaction patterns between community members. The microbial population profiles were simulated using computational tools in order to understand intermicrobial relationships and to identify potential metabolic exchanges that occur during stabilization of the bacterial community. Studying microbial community assembly processes is essential for understanding fundamental ecological principles in microbial ecosystems and can be critical in predicting microbial community structure and function.<\/p>\n <\/sec>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"American Society for Microbiology","journal_name":"mSystems","format":"Medium: X","authors":["Wang, Jia [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA] (ORCID:0000000187099709)","Appidi, Manasa R. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA, UT-ORNL Graduate School of Genome Science and Technology, University of Tennessee, Knoxville, Tennessee, USA]","Burdick, Leah H. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA]","Abraham, Paul E. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA] (ORCID:0000000326859123)","Hettich, Robert L. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA]","Pelletier, Dale A. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA] (ORCID:0000000243217918)","Doktycz, Mitchel J. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA] (ORCID:0000000348568343)","Lindemann, ed., Stephen R."],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2379-5077","other_identifiers":["Journal ID: ISSN 2379-5077; e00006-24"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323356"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323356"}]}, {"osti_id":"2323365","title":"Hyper‐Local Temperature Prediction Using Detailed Urban Climate Informatics","doi":"10.1029/2023MS003943","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Advances in Modeling Earth Systems Journal Volume: 16 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>The accurate modeling of urban microclimate is a challenging task given the high surface heterogeneity of urban land cover and the vertical structure of street morphology. Recent years have witnessed significant efforts in numerical modeling and data collection of the urban environment. Nonetheless, it is difficult for the physical‐based models to fully utilize the high‐resolution data under the constraints of computing resources. The advancement in machine learning (ML) techniques offers the computational strength to handle the massive volume of data. In this study, we proposed a modeling framework that uses ML approach to estimate point‐scale street‐level air temperature from the urban‐resolving meso‐scale climate model and a suite of hyper‐resolution urban geospatial data sets, including three‐dimensional urban morphology, parcel‐level land use inventory, and weather observations from a sensor network. We implemented this approach in the City of Chicago as a case study to demonstrate the capability of the framework. The proposed approach vastly improves the resolution of temperature predictions in cities, which will help the city with walkability, drivability, and heat‐related behavioral studies. Moreover, we tested the model\'s reliability on out‐of‐sample locations to investigate the modeling uncertainties and the application potentials to the other areas. This study aims to gain insights into next‐gen urban climate modeling and guide the observation efforts in cities to build the strength for the holistic understanding of urban microclimate dynamics.<\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Advances in Modeling Earth Systems","journal_issue":"3","journal_volume":"16","format":"Medium: X","authors":["Li, Peiyuan [Discovery Partners Institute University of Illinois System Chicago IL USA]","Sharma, Ashish [Discovery Partners Institute University of Illinois System Chicago IL USA, Department of Climate, Meteorology &, Atmospheric Sciences University of Illinois at Urbana‐Champaign Urbana IL USA, Environmental Science Division Argonne National Laboratory Lemont IL USA] (ORCID:0000000193328256)"],"article_type":"Published Article","doe_contract_number":"DE‐AC02‐06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1942-2466","other_identifiers":["Journal ID: ISSN 1942-2466; e2023MS003943"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323365"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323365"}]}, {"osti_id":"2323377","title":"Decoding the chemical language of\n <i>Suillus<\/i>\n fungi: genome mining and untargeted metabolomics uncover terpene chemical diversity","doi":"10.1128/msystems.01225-23","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: mSystems","description":"<title>ABSTRACT<\/title>\n <sec>\n <title/>\n <p>\n Ectomycorrhizal fungi establish mutually beneficial relationships with trees, trading nutrients for carbon.\n <italic>Suillus<\/italic>\n are ectomycorrhizal fungi that are critical to the health of boreal and temperate forest ecosystems. Comparative genomics has identified a high number of non-ribosomal peptide synthetase and terpene biosynthetic gene clusters (BGC) potentially involved in fungal competition and communication. However, the functionality of these BGCs is not known. This study employed co-culture techniques to activate BGC expression and then used metabolomics to investigate the diversity of metabolic products produced by three\n <italic>Suillus<\/italic>\n species (\n <italic>Suillus hirtellus<\/italic>\n EM16,\n <italic>Suillus decipiens<\/italic>\n EM49, and\n <italic>Suillus cothurnatus<\/italic>\n VC1858), core members of the pine microbiome. After 28 days of growth on solid media, liquid chromatography–tandem mass spectrometry identified a diverse range of extracellular metabolites (exometabolites) along the interaction zone between\n <italic>Suillus<\/italic>\n co-cultures. Prenol lipids were among the most abundant chemical classes. Out of the 62 unique terpene BGCs predicted by genome mining, 41 putative prenol lipids (includes 37 putative terpenes) were identified across the three\n <italic>Suillus<\/italic>\n species using metabolomics. Notably, some terpenes were significantly more abundant in co-culture conditions. For example, we identified a metabolite matching to isomers isopimaric acid, sandaracopimaric acid, and abietic acid, which can be found in pine resin and play important roles in host defense mechanisms and\n <italic>Suillus<\/italic>\n spore germination. This research highlights the importance of combining genomics and metabolomics to advance our understanding of the chemical diversity underpinning fungal signaling and communication.\n <\/p>\n <sec>\n <title>IMPORTANCE<\/title>\n <p>\n Using a combination of genomics and metabolomics, this study’s findings offer new insights into the chemical diversity of\n <italic>Suillus<\/italic>\n fungi, which serve a critical role in forest ecosystems.\n <\/p>\n <\/sec>\n <\/sec>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"American Society for Microbiology","journal_name":"mSystems","format":"Medium: X","authors":["Mudbhari, Sameer [UT-ORNL Graduate School of Genome Science and Technology, University of Tennessee, Knoxville, Tennessee, USA, Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA] (ORCID:0000000230917544)","Lofgren, Lotus [Biology Department, Duke University, Durham, North Carolina, USA]","Appidi, Manasa R. [UT-ORNL Graduate School of Genome Science and Technology, University of Tennessee, Knoxville, Tennessee, USA, Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA]","Vilgalys, Rytas [Biology Department, Duke University, Durham, North Carolina, USA]","Hettich, Robert L. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA]","Abraham, Paul E. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA] (ORCID:0000000326859123)","Yang, ed., Yu-Liang","Haslinger, Kristina","Gluck-Thaler, Emile"],"article_type":"Published Article","doe_contract_number":"Plant–Microbe Interfaces Scientific Focus Area; Secure Ecosystem Engineering and Design Scientific Focus Area","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2379-5077","other_identifiers":["Journal ID: ISSN 2379-5077; e01225-23"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323377"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323377"}]}, {"osti_id":"2322584","title":"High-rate multiplexed entanglement source based on time-bin qubits for advanced quantum networks","doi":"10.1364/OPTICAQ.509335","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Optica Quantum Journal Volume: 2 Journal Issue: 2","description":"<p>\n Entanglement distribution based on time-bin qubits is an attractive\n\t\t\t\t\toption for emerging quantum networks. We demonstrate a 4.09-GHz\n\t\t\t\t\trepetition rate source of photon pairs entangled across early and late\n\t\t\t\t\ttime bins separated by 80 ps. Simultaneous high rates and high\n\t\t\t\t\tvisibilities are achieved through frequency multiplexing the\n\t\t\t\t\tspontaneous parametric down conversion output into eight time-bin\n\t\t\t\t\tentangled channel pairs. We demonstrate entanglement visibilities as\n\t\t\t\t\thigh as 99.4%, total entanglement rates up to\n\t\t\t\t\t3.55×10\n <sup>6<\/sup>\n coincidences/s, and predict a\n\t\t\t\t\tstraightforward path towards achieving up to an order of magnitude\n\t\t\t\t\timprovement in rates without compromising visibility. Finally, we\n\t\t\t\t\tresolve the density matrices of the entangled states for each\n\t\t\t\t\tmultiplexed channel and express distillable entanglement rates in\n\t\t\t\t\tebit/s, thereby quantifying the trade-off between visibility and\n\t\t\t\t\tcoincidence rates that contributes to useful entanglement\n\t\t\t\t\tdistribution. This source is a fundamental building block for\n\t\t\t\t\thigh-rate entanglement-based quantum key distribution systems or\n\t\t\t\t\tadvanced quantum networks.\n <\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Optical Society of America","journal_name":"Optica Quantum","journal_issue":"2","journal_volume":"2","format":"Medium: X; Size: Article No. 64","authors":["Mueller, Andrew (ORCID:0000000265989732)","Davis, Samantha I.","Korzh, Boris","Valivarthi, Raju","Beyer, Andrew D.","Youssef, Rahaf","Sinclair, Neil","Peña, Cristián","Shaw, Matthew D.","Spiropulu, Maria"],"article_type":"Published Article","doe_contract_number":"SC0019219; SC002376","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2837-6714","other_identifiers":["Journal ID: ISSN 2837-6714"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322584"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322584"}]}, {"osti_id":"2323371","title":"Plant responses to elevated\n <scp>\n CO\n <sub>2<\/sub>\n <\/scp>\n under competing hypotheses of nitrogen and phosphorus limitations","doi":"10.1002/eap.2967","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Ecological Applications","description":"<title>Abstract<\/title>\n <p>\n The future ecosystem carbon cycle has important implications for biosphere‐climate feedback. The magnitude of future plant growth and carbon accumulation depends on plant strategies for nutrient uptake under the stresses of nitrogen (N) versus phosphorus (P) limitations. Two archetypal theories have been widely acknowledged in the literature to represent N and P limitations on ecosystem processes: Liebig\'s Law of the Minimum (LLM) and the Multiple Element Limitation (MEL) approach. LLM states that the more limiting nutrient controls plant growth, and commonly leads to predictions of dramatically dampened ecosystem carbon accumulation over the 21st century. Conversely, the MEL approach recognizes that plants possess multiple pathways to coordinate N and P availability and invest resources to alleviate N or P limitation. We implemented these two contrasting approaches in the E3SM model, and compiled 98 in situ forest N or P fertilization experiments to evaluate how terrestrial ecosystems will respond to N and P limitations. We find that MEL better captured the observed plant responses to nutrient perturbations globally, compared with LLM. Furthermore, LLM and MEL diverged dramatically in responses to elevated CO\n <sub>2<\/sub>\n concentrations, leading to a two‐fold difference in CO\n <sub>2<\/sub>\n fertilization effects on Net Primary Productivity by the end of the 21st century. The larger CO\n <sub>2<\/sub>\n fertilization effects indicated by MEL mainly resulted from plant mediation on N and P resource supplies through N\n <sub>2<\/sub>\n fixation and phosphatase activities. This analysis provides quantitative evidence of how different N and P limitation strategies can diversely affect future carbon and nutrient dynamics.\n <\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Ecological Applications","format":"Medium: X","authors":["Zhu, Qing [Climate and Ecosystem Sciences Division, Lawrence Berkeley National Laboratory Berkeley California USA] (ORCID:000000032441944X)","Riley, William J. [Climate and Ecosystem Sciences Division, Lawrence Berkeley National Laboratory Berkeley California USA]","Tang, Jinyun [Climate and Ecosystem Sciences Division, Lawrence Berkeley National Laboratory Berkeley California USA] (ORCID:0000000247921259)","Bouskill, Nicholas J. [Climate and Ecosystem Sciences Division, Lawrence Berkeley National Laboratory Berkeley California USA]"],"article_type":"Published Article","doe_contract_number":"DE‐AC02‐05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1051-0761","other_identifiers":["Journal ID: ISSN 1051-0761; e2967"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323371"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323371"}]}, {"osti_id":"2323355","title":"Mass, enthalpy, and chemical‐derived emission flows in mineral processing","doi":"10.1111/jiec.13476","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Industrial Ecology","description":"<title>Abstract<\/title>\n <p>\n The production of materials from mineral resources is a significant contributor to anthropogenic CO\n <sub>2<\/sub>\n emissions. This contribution is driven primarily by chemical CO\n <sub>2<\/sub>\n emissions from the conversion of mineral resources and emissions tied to energy demands for material processing. In this work, we synthesize the thermodynamically required enthalpy and chemically derived emissions of mineral processing and consumption in the United States. We quantify mass, enthalpy, and emissions flows for minerals described by the US Geological Survey, with 882 mass flows and 155 chemical reactions analyzed. In total, 503 PJ of enthalpy is thermodynamically required for 398 Mt of chemically converted material consumption in the United States, resulting in 129 Mt of chemically derived CO\n <sub>2<\/sub>\n emissions. Additionally, 249 PJ of fuel resources such as coke are stoichiometrically required for the chemical conversion of minerals. These enthalpy requirements and CO\n <sub>2<\/sub>\n emissions are primarily from high‐mass consumption materials such as cement, carbon steel, fertilizer, and aluminum. Cumulatively, the dataset synthesized in this work provides a complete view of the chemical requirements of mineral processing and can aid in guiding decarbonization or sustainable growth in critical minerals sectors, including construction materials and materials for energy storage or generation.\n <\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"Journal of Industrial Ecology","format":"Medium: X","authors":["Kane, Seth [Department of Civil and Environmental Engineering University of California Davis California USA] (ORCID:0000000269401369)","Miller, Sabbie A. [Department of Civil and Environmental Engineering University of California Davis California USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1088-1980","other_identifiers":["Journal ID: ISSN 1088-1980; jiec.13476"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323355"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323355"}]}, {"osti_id":"2323372","title":"Demonstration of a 1 TW peak power, joule-level ultrashort Tm:YLF laser","doi":"10.1364/OL.519542","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optics Letters Journal Volume: 49 Journal Issue: 6","description":"<p>\n We report on the demonstration of a diode-pumped, Tm:YLF-based, chirped pulse amplification laser system operating at\n <italic>λ<\/italic>\n ≈ 1.9 µm that produces amplified pulse energies exceeding 1.5 J using a single 8-pass power amplifier. The amplified pulses are subsequently compressed to sub-300 fs durations by a diffraction grating pair, producing record >1 TW peak power pulses. To the best of our knowledge, this is the highest peak power demonstrated for any solid-state, near-2 µm laser architecture and illustrates the potential of Tm:YLF for the next generation of high-power, diode-pumped ultrashort lasers.\n <\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Optical Society of America","journal_name":"Optics Letters","journal_issue":"6","journal_volume":"49","format":"Medium: X; Size: Article No. 1583","authors":["Tamer, Issa","Hubka, Zbynek","Kiani, Leily (ORCID:000000018408099X)","Owens, Jason","Church, Andrew","Batysta, František (ORCID:0000000313456245)","Galvin, Thomas","Willard, Drew","Yandow, Andrew (ORCID:0000000150865940)","Galbraith, Justin","Alessi, David (ORCID:0000000260455838)","Harthcock, Colin","Hickman, Brad","Jackson, Candis","Nissen, James","Tardiff, Sean","Nguyen, Hoang","Sistrunk, Emily","Spinka, Thomas (ORCID:0000000289740253)","Reagan, Brendan A."],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"AC52-07NA27344","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0146-9592","other_identifiers":["Journal ID: ISSN 0146-9592; OPLEDP"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323372"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323372"}]}, {"osti_id":"2311225","title":"On-surface magnetocaloric effect for a van der Waals Gd(\n <scp>iii<\/scp>\n ) 2D MOF grown on Si","doi":"10.1039/D3TA06648G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 11","description":"<p>\n [Gd(MeCOO)(PhCOO)\n <sub>2<\/sub>\n ], a 2D MOF is reported and characterized, the material shows a magnetocaloric effect both in bulk and chemisorbed on a Silicon substrate. This opens up the possibilities for on-surface cooling devices.\n <\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"11","journal_volume":"12","format":"Medium: X; Size: p. 6269-6279","authors":["Kumar, Subodh [Institut de Nanociències i Nanotecnologia, Universitat de Barcelona (IN2UB), 08028 Barcelona, Spain, Departament de Química Inorgànica i Orgànica, Secció de Química Inorgànica, C/Martí i Franqués 1-11, 08028, Barcelona, Spain]","Riera, Guillem Gabarró [Institut de Nanociències i Nanotecnologia, Universitat de Barcelona (IN2UB), 08028 Barcelona, Spain, Departament de Química Inorgànica i Orgànica, Secció de Química Inorgànica, C/Martí i Franqués 1-11, 08028, Barcelona, Spain] (ORCID:0000000167807691)","Arauzo, Ana [Instituto de Nanociencia y Materiales de Aragón (INMA), CSIC-Universidad de Zaragoza, Departamento de Física de la Materia Condensada, 50009 Zaragoza, Spain] (ORCID:000000025999341X)","Hrubý, Jakub [National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA]","Hill, Stephen [National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA, Department of Physics, Florida State University, Tallahassee, FL 32306, USA] (ORCID:0000000167423620)","Bogani, Lapo [Department of Materials, University of Oxford, 16 Parks Road, OX1 3PH, Oxford, UK] (ORCID:0000000249265048)","Rubio-Zuazo, Juan [BM25-SpLine Beamline at the ESRF, 71 Avenue des Martyrs, 38043, Grenoble, France, Instituto de Ciencia de Materiales de Madrid-CSIC, Sor Juana Inés de la Cruz, 3, Cantoblanco, 28049 Madrid, Spain]","Jover, Jesús [Institut de Nanociències i Nanotecnologia, Universitat de Barcelona (IN2UB), 08028 Barcelona, Spain, Institut de Química Teórica i Computacional (IQTC), Department of Inorganic and Organic Chemistry, Faculty of Chemistry, University of Barcelona, Spain] (ORCID:0000000333834573)","Bartolomé, Elena [Institut de Ciència de Materials de Barcelona (ICMAB), CSIC, Campus UAB, 08193 Barcelona, Spain] (ORCID:0000000151080977)","Sañudo, E. Carolina [Institut de Nanociències i Nanotecnologia, Universitat de Barcelona (IN2UB), 08028 Barcelona, Spain, Departament de Química Inorgànica i Orgànica, Secció de Química Inorgànica, C/Martí i Franqués 1-11, 08028, Barcelona, Spain] (ORCID:0000000196476406)"],"article_type":"Published Article","doe_contract_number":"SC0020260","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311225"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311225"}]}, {"osti_id":"2323381","title":"Towards a self-consistent model of the convective core boundary in upper main sequence stars: I. 2.5D and 3D simulations","doi":"10.1051/0004-6361/202347407","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Astronomy and Astrophysics Journal Volume: 683","description":"<p>\n There is strong observational evidence that the convective cores of intermediate-mass and massive main sequence stars are substantially larger than those predicted by standard stellar-evolution models. However, it is unclear what physical processes cause this phenomenon or how to predict the extent and stratification of stellar convective boundary layers. Convective penetration is a thermal-timescale process that is likely to be particularly relevant during the slow evolution on the main sequence. We use our low-Mach-number S\n <sc>EVEN<\/sc>\n -L\n <sc>EAGUE<\/sc>\n H\n <sc>YDRO<\/sc>\n code to study this process in 2.5D and 3D geometries. Starting with a chemically homogeneous model of a 15 \n <italic>M<\/italic>\n <sub>⊙<\/sub>\n zero-age main sequence star, we construct a series of simulations with the luminosity increased and opacity decreased by the same factor, ranging from 10\n <sup>3<\/sup>\n to 10\n <sup>6<\/sup>\n . After reaching thermal equilibrium, all of our models show a clear penetration layer; its thickness becomes statistically constant in time and it is shown to converge upon grid refinement. The penetration layer becomes nearly adiabatic with a steep transition to a radiative stratification in simulations at the lower end of our luminosity range. This structure corresponds to the adiabatic ‘step overshoot’ model often employed in stellar-evolution calculations. The simulations with the highest and lowest luminosity differ by less than a factor of two in the penetration distance. The high computational cost of 3D simulations makes our current 3D data set rather sparse. Depending on how we extrapolate the 3D data to the actual luminosity of the initial stellar model, we obtain penetration distances ranging from 0.09 to 0.44 pressure scale heights, which is broadly compatible with observations.\n <\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"EDP Sciences","journal_name":"Astronomy and Astrophysics","journal_volume":"683","format":"Medium: X; Size: Article No. A97","authors":["Andrassy, R.","Leidi, G. (ORCID:0000000174137200)","Higl, J.","Edelmann, P. V. F.","Schneider, F. R. N. (ORCID:0000000259651022)","Röpke, F. K. (ORCID:0000000244600097)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-6361","other_identifiers":["Journal ID: ISSN 0004-6361; PII: aa47407-23"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323381"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323381"}]}, {"osti_id":"2323367","title":"CO2 Storage Site Analysis, Screening, and Resource Estimation for Cenozoic Offshore Reservoirs in the Central Gulf of Mexico","doi":"10.3390/en17061349","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Energies Journal Volume: 17 Journal Issue: 6","description":"<p>The storage potential of hydrocarbon reservoirs in the central Gulf of Mexico (GOM) makes future development of CO2 storage projects in those areas promising for secure, large-scale, and long-term storage purposes. Focusing on the producing and depleted hydrocarbon fields in the continental slope of the central GOM, this paper analyzed, assessed, and screened the producing sands and evaluated their CO2 storage potential. A live interactive CO2 storage site screening system was built in the SAS® Viya system with a broad range of screening criteria combined from published studies. This offers the users a real-time assessment of the storage sites and enables them to adjust the filters and visualize the results to determine the most suitable filter range. The CO2 storage resources of the sands were estimated using a volumetric equation and the correlation developed by the National Energy Technology Laboratory (NETL). The results of this study indicate that 1.05 gigatons of CO2 storage resources are available in the developed reservoirs at the upper slope area of the central GOM. The Mississippi Canyon and Green Canyon protraction areas contain the fields with the largest storage resources.<\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"MDPI AG","journal_name":"Energies","journal_issue":"6","journal_volume":"17","format":"Medium: X; Size: Article No. 1349","authors":["Hu, Xitong","Bhattacherjee, Rupom","Botchway, Kodjo","Pashin, Jack C.","Chakraborty, Goutam (ORCID:0000000201142479)","Bikkina, Prem (ORCID:0000000312368032)"],"article_type":"Published Article","doe_contract_number":"FE0031557","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1996-1073","other_identifiers":["Journal ID: ISSN 1996-1073; ENERGA; PII: en17061349"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323367"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323367"}]}, {"osti_id":"2322600","title":"A Semi‐Automated, High‐Throughput Approach for the Synthesis and Identification of Highly Photo‐Cytotoxic Iridium Complexes","doi":"10.1002/ange.202401808","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Angewandte Chemie","description":"<title>Abstract<\/title>\n <p>The discovery of new compounds with pharmacological properties is usually a lengthy, laborious and expensive process. Thus, there is increasing interest in developing workflows that allow for the rapid synthesis and evaluation of libraries of compounds with the aim of identifying leads for further drug development. Herein, we apply combinatorial synthesis to build a library of 90 iridium(III) complexes (81 of which are new) over two synthesise‐and‐test cycles, with the aim of identifying potential agents for photodynamic therapy. We demonstrate the power of this approach by identifying highly active complexes that are well‐tolerated in the dark but display very low nM phototoxicity against cancer cells. To build a detailed structure–activity relationship for this class of compounds we have used density functional theory (DFT) calculations to determine some key electronic parameters and study correlations with the experimental data. Finally, we present an optimised semi‐automated synthesise‐and‐test protocol to obtain multiplex data within 72 hours.<\/p>","publication_date":"2024-03-11T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Angewandte Chemie","format":"Medium: X","authors":["Kench, Timothy [Department of Chemistry Imperial College London White City Campus W12 0BZ London UK] (ORCID:000000034699877X)","Rahardjo, Arielle [Department of Chemistry Imperial College London White City Campus W12 0BZ London UK]","Terrones, Gianmarco G. [Department of Chemical Engineering Massachusetts Institute of Technology 02139 Cambridge MA USA] (ORCID:000000015360165X)","Bellamkonda, Adinarayana [Department of Chemistry Imperial College London White City Campus W12 0BZ London UK]","Maher, Thomas E. [Department of Chemistry Imperial College London White City Campus W12 0BZ London UK, Institute of Chemical Biology Imperial College London White City Campus W12 0BZ London UK] (ORCID:0000000243953704)","Storch, Marko [Department of Infectious Disease Imperial College London South Kensington Campus SW7 2AZ London UK, London Biofoundry Imperial College Translation and Innovation Hub W12 0BZ London UK]","Kulik, Heather J. [Department of Chemical Engineering Massachusetts Institute of Technology 02139 Cambridge MA USA, Department of Chemistry Massachusetts Institute of Technology 02139 Cambridge MA USA] (ORCID:0000000193420191)","Vilar, Ramon [Department of Chemistry Imperial College London White City Campus W12 0BZ London UK, Institute of Chemical Biology Imperial College London White City Campus W12 0BZ London UK] (ORCID:000000032992199X)"],"article_type":"Published Article","doe_contract_number":"SC0024174","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0044-8249","other_identifiers":["Journal ID: ISSN 0044-8249; e202401808"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322600"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322600"}]}, {"osti_id":"2322595","title":"A Semi‐Automated, High‐Throughput Approach for the Synthesis and Identification of Highly Photo‐Cytotoxic Iridium Complexes","doi":"10.1002/anie.202401808","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Angewandte Chemie (International Edition)","description":"<title>Abstract<\/title>\n <p>The discovery of new compounds with pharmacological properties is usually a lengthy, laborious and expensive process. Thus, there is increasing interest in developing workflows that allow for the rapid synthesis and evaluation of libraries of compounds with the aim of identifying leads for further drug development. Herein, we apply combinatorial synthesis to build a library of 90 iridium(III) complexes (81 of which are new) over two synthesise‐and‐test cycles, with the aim of identifying potential agents for photodynamic therapy. We demonstrate the power of this approach by identifying highly active complexes that are well‐tolerated in the dark but display very low nM phototoxicity against cancer cells. To build a detailed structure–activity relationship for this class of compounds we have used density functional theory (DFT) calculations to determine some key electronic parameters and study correlations with the experimental data. Finally, we present an optimised semi‐automated synthesise‐and‐test protocol to obtain multiplex data within 72 hours.<\/p>","publication_date":"2024-03-11T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Angewandte Chemie (International Edition)","format":"Medium: X","authors":["Kench, Timothy [Department of Chemistry Imperial College London White City Campus W12 0BZ London UK] (ORCID:000000034699877X)","Rahardjo, Arielle [Department of Chemistry Imperial College London White City Campus W12 0BZ London UK]","Terrones, Gianmarco G. [Department of Chemical Engineering Massachusetts Institute of Technology 02139 Cambridge MA USA] (ORCID:000000015360165X)","Bellamkonda, Adinarayana [Department of Chemistry Imperial College London White City Campus W12 0BZ London UK]","Maher, Thomas E. [Department of Chemistry Imperial College London White City Campus W12 0BZ London UK, Institute of Chemical Biology Imperial College London White City Campus W12 0BZ London UK] (ORCID:0000000243953704)","Storch, Marko [Department of Infectious Disease Imperial College London South Kensington Campus SW7 2AZ London UK, London Biofoundry Imperial College Translation and Innovation Hub W12 0BZ London UK]","Kulik, Heather J. [Department of Chemical Engineering Massachusetts Institute of Technology 02139 Cambridge MA USA, Department of Chemistry Massachusetts Institute of Technology 02139 Cambridge MA USA] (ORCID:0000000193420191)","Vilar, Ramon [Department of Chemistry Imperial College London White City Campus W12 0BZ London UK, Institute of Chemical Biology Imperial College London White City Campus W12 0BZ London UK] (ORCID:000000032992199X)"],"article_type":"Published Article","doe_contract_number":"SC0024174","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1433-7851","other_identifiers":["Journal ID: ISSN 1433-7851; e202401808"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322595"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322595"}]}, {"osti_id":"2323590","title":"Hybrid Quantum Vision Transformers for Event Classification in High Energy Physics","doi":"10.3390/axioms13030187","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Axioms Journal Volume: 13 Journal Issue: 3","description":"<p>Models based on vision transformer architectures are considered state-of-the-art when it comes to image classification tasks. However, they require extensive computational resources both for training and deployment. The problem is exacerbated as the amount and complexity of the data increases. Quantum-based vision transformer models could potentially alleviate this issue by reducing the training and operating time while maintaining the same predictive power. Although current quantum computers are not yet able to perform high-dimensional tasks, they do offer one of the most efficient solutions for the future. In this work, we construct several variations of a quantum hybrid vision transformer for a classification problem in high-energy physics (distinguishing photons and electrons in the electromagnetic calorimeter). We test them against classical vision transformer architectures. Our findings indicate that the hybrid models can achieve comparable performance to their classical analogs with a similar number of parameters.<\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"MDPI AG","journal_name":"Axioms","journal_issue":"3","journal_volume":"13","format":"Medium: X; Size: Article No. 187","authors":["Unlu, Eyup B. (ORCID:0000000266836463)","Comajoan Cara, Marçal (ORCID:0009000126263752)","Dahale, Gopal Ramesh (ORCID:0009000581161950)","Dong, Zhongtian (ORCID:0000000210003454)","Forestano, Roy T. (ORCID:0000000203552076)","Gleyzer, Sergei (ORCID:0000000262228102)","Justice, Daniel (ORCID:0000000154502207)","Kong, Kyoungchul (ORCID:0000000345157303)","Magorsch, Tom (ORCID:0000000338900066)","Matchev, Konstantin T. (ORCID:0000000341829096)","Matcheva, Katia (ORCID:000000033074998X)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231; NERSC DDR-ERCAP0025759; SC0012447; SC0022148; SC0024407","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2075-1680","other_identifiers":["Journal ID: ISSN 2075-1680; AXIOB8; PII: axioms13030187"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323590"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323590"}]}, {"osti_id":"2305759","title":"Simulation guided molecular design of hydrofluoroether solvent for high energy batteries","doi":"10.1039/D3TA07670A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 11","description":"<p>The study introduces novel asymmetric hydrofluoroether (HFE) designs, uncovers solvation-property relationships, and leverages molecular dynamics modeling for high-performance electrolytes in advanced lithium batteries.<\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"11","journal_volume":"12","format":"Medium: X; Size: p. 6294-6301","authors":["Yu, Zhou [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Materials Science Division, Argonne National Laboratory, Lemont, IL 60439, USA] (ORCID:0000000333164979)","Shi, Zhangxing [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA]","Bheemireddy, Sambasiva R. [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA] (ORCID:0000000311699649)","Kamphaus, Ethan [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Materials Science Division, Argonne National Laboratory, Lemont, IL 60439, USA]","Lyu, Xingyi [Department of Chemistry and Biochemistry, Northern Illinois University, DeKalb, IL 60439, USA]","Uddin, Mohammad Afsar [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA, Instituto de Ciencia de Materiales de Madrid, Madrid 20849, Spain] (ORCID:0000000232175513)","Li, Zhiguang [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA, Indiana University–Purdue University Indianapolis, 723 West Michigan Street, Indianapolis, IN, 46202, USA]","Yang, Zhenzhen [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA]","Li, Tao [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Department of Chemistry and Biochemistry, Northern Illinois University, DeKalb, IL 60439, USA, X-ray Science Division, Argonne National Laboratory, Lemont, IL 60439, USA]","Moore, Jeffrey S. [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA, Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA] (ORCID:0000000158416269)","Zhang, Lu [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA] (ORCID:0000000303670862)","Cheng, Lei [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Materials Science Division, Argonne National Laboratory, Lemont, IL 60439, USA]"],"article_type":"Published Article","doe_contract_number":"AC02-06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305759"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305759"}]}, {"osti_id":"2323380","title":"Magnetotail Variability During Magnetospheric Substorms","doi":"10.1029/2023JA031722","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Geophysical Research. Space Physics Journal Volume: 129 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n In this work, we present a statistical study of substorms covering a five‐year period 2016–2020. Substorm phases were identified from time series of the SuperMAG AL (SML) index using a list of 5,077 previously identified substorm onsets, the SML peak value marking transition from expansion to recovery phase, and the recovery identified as return to activity less than −100 nT in the SML index. Magnetic field observations from THEMIS, RBSP, and MMS missions were used to study the magnetotail characteristics during the substorm evolution. A superposed epoch analysis indicates that the substorm onset occurs almost simultaneously with a few minutes of uncertainty throughout the magnetotail, ranging from geostationary orbit to 20 RE. The onset in the transition region precedes the ground onset by a few minutes. The peak SML time coincides with the peak of the outer transition region Δ\n <italic>B<\/italic>\n <sub>\n <italic>Z<\/italic>\n <\/sub>\n , which suggests that the field‐aligned currents driving the SML activity arise from the outer transition region. Analysis of 2D maps of the tail magnetic field shows that the magnetotail current changes are limited to the center of the tail within |\n <italic>Y<\/italic>\n | < 10\n <italic>R<\/italic>\n <sub>\n <italic>E<\/italic>\n <\/sub>\n . The substorm recovery is fastest in the inner transition region and lasts longer when moving further out. We did not find major asymmetries in the substorm signatures associated with IMF\n <italic>B<\/italic>\n <sub>\n <italic>Y<\/italic>\n <\/sub>\n or\n <italic>B<\/italic>\n <sub>\n <italic>Z<\/italic>\n <\/sub>\n .\n <\/p>","publication_date":"2024-03-11T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Geophysical Research. Space Physics","journal_issue":"3","journal_volume":"129","format":"Medium: X","authors":["Kumar, S. [Department of Climate and Space Sciences and Engineering University of Michigan Ann Arbor MI USA] (ORCID:0000000153933718)","Pulkkinen, T. I. [Department of Climate and Space Sciences and Engineering University of Michigan Ann Arbor MI USA] (ORCID:000000026317381X)","Gjerloev, J. [Johns Hopkins University Applied Physics Laboratory Laurel MD USA] (ORCID:0000000272779004)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2169-9380","other_identifiers":["Journal ID: ISSN 2169-9380; e2023JA031722"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323380"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323380"}]}, {"osti_id":"2322608","title":"Pharmacokinetics and relative bioavailability study of two cefquinome sulfate intramammary infusions in cow milk","doi":"10.3389/fvets.2024.1384076","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Veterinary Science Journal Volume: 11","description":"<p>\n In this study, two intramammary infusions of cefquinome sulfate were investigated for pharmacokinetics and bioavailability. Twelve lactating cows for each group were administered an effective dose of 75 mg/gland for cefquinome, with milk samples collected at various time intervals. The concentrations of cefquinome in milk at different times were determined by the UPLC-MS/MS method. Analyses of noncompartmental pharmacokinetics were conducted on the concentration of cefquinome in milk. Mean pharmacokinetic parameters of group A and group B following intramammary administration were as follows: AUC\n <sub>last<\/sub>\n 300558.57 ± 25052.78 ng/mL and 266551.3 ± 50654.85 ng/mL, C\n <sub>max<\/sub>\n 51786.35 ± 11948.4 ng/mL and 59763.7 ± 8403.2 ng/mL, T\n <sub>1/2<\/sub>\n 5.69 ± 0.62 h and 5.25 ± 1.62 h, MRT 7.43 ± 0.79 h and 4.8 ± 0.78 h, respectively. Pharmacokinetic experiments showed that the relative bioavailability of group B was 88.69% that of group A. From our findings, group B (3 g: 75 mg) shows a quicker drug elimination process than group A (8 g: 75 mg), which suggests that the withdrawal period for the new formulation may be shorter.\n <\/p>","publication_date":"2024-03-11T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Veterinary Science","journal_volume":"11","format":"Medium: X","authors":["Li, Shuang","Yu, Na","Tang, Yaoxin","Liu, Chunshuang","Zhang, Ying","Chen, Xiaojie","Wu, Hao","Li, Xiubo","Liu, Yiming"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"}],"sponsor_orgs":["USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2297-1769","other_identifiers":["Journal ID: ISSN 2297-1769; 1384076"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322608"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322608"}]}, {"osti_id":"2323595","title":"Photo‐Induced Charge State Dynamics of the Neutral and Negatively Charged Silicon Vacancy Centers in Room‐Temperature Diamond","doi":"10.1002/advs.202308814","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Science","description":"<title>Abstract<\/title>\n <p>\n The silicon vacancy (SiV) center in diamond is drawing much attention due to its optical and spin properties, attractive for quantum information processing and sensing. Comparatively little is known, however, about the dynamics governing SiV charge state interconversion mainly due to challenges associated with generating, stabilizing, and characterizing all possible charge states, particularly at room temperature. Here, multi‐color confocal microscopy and density functional theory are used to examine photo‐induced SiV recombination — from neutral, to single‐, to double‐negatively charged — over a broad spectral window in chemical‐vapor‐deposition (CVD) diamond under ambient conditions. For the SiV\n <sup>0<\/sup>\n to SiV\n <sup>‐<\/sup>\n transition, a linear growth of the photo‐recombination rate with laser power at all observed wavelengths is found, a hallmark of single photon dynamics. Laser excitation of SiV\n <sup>‒<\/sup>\n , on the other hand, yields only fractional recombination into SiV\n <sup>2‒<\/sup>\n , a finding that is interpreted in terms of a photo‐activated electron tunneling process from proximal nitrogen atoms.\n <\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Science","format":"Medium: X","authors":["Garcia‐Arellano, G. [Department of Physics CUNY‐City College of New York New York NY 10031 USA]","López‐Morales, G. I. [Department of Physics CUNY‐City College of New York New York NY 10031 USA]","Manson, N. B. [Department of Quantum Science and Technology Research School of Physics Australian National University Canberra ACT 2601 Australia]","Flick, J. [Department of Physics CUNY‐City College of New York New York NY 10031 USA, CUNY‐Graduate Center New York NY 10016 USA, Center for Computational Quantum Physics Flatiron Institute New York NY 10010 USA]","Wood, A. A. [School of Physics The University of Melbourne Parkville VIC 3010 Australia]","Meriles, C. A. [Department of Physics CUNY‐City College of New York New York NY 10031 USA, CUNY‐Graduate Center New York NY 10016 USA] (ORCID:0000000321971474)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2198-3844","other_identifiers":["Journal ID: ISSN 2198-3844; 2308814"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323595"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323595"}]}, {"osti_id":"2309780","title":"Generalizable, tunable control of divalent cation solvation structure\n <i>via<\/i>\n mixed anion contact ion pair formation","doi":"10.1039/D3TA07613J","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 11","description":"<p>Multi-anion electrolytes form mixed anion contact ion pairs (CIPs), even when the constituent anions do not form CIPs in isolation. Mixed anion CIPs are shown to be general for divalent cations, and their relative fraction is tunable by composition.<\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"11","journal_volume":"12","format":"Medium: X; Size: p. 6768-6776","authors":["Lavan, Sydney N. [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Center for Steel Electrification by Electrosynthesis, Argonne National Laboratory, Lemont, IL 60439, USA, Materials Science Division, Argonne National Laboratory, Lemont, IL 60439, USA] (ORCID:0000000152566741)","Ilic, Stefan [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Center for Steel Electrification by Electrosynthesis, Argonne National Laboratory, Lemont, IL 60439, USA, Materials Science Division, Argonne National Laboratory, Lemont, IL 60439, USA]","Viswanath, Shashwat [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Materials Science Division, Argonne National Laboratory, Lemont, IL 60439, USA]","Jain, Akash [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Materials Science Division, Argonne National Laboratory, Lemont, IL 60439, USA] (ORCID:0000000198697624)","Assary, Rajeev S. [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Center for Steel Electrification by Electrosynthesis, Argonne National Laboratory, Lemont, IL 60439, USA, Materials Science Division, Argonne National Laboratory, Lemont, IL 60439, USA] (ORCID:0000000295713307)","Connell, Justin G. [Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, IL 60439, USA, Center for Steel Electrification by Electrosynthesis, Argonne National Laboratory, Lemont, IL 60439, USA, Materials Science Division, Argonne National Laboratory, Lemont, IL 60439, USA] (ORCID:0000000229792131)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"AC02-06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309780"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309780"}]}, {"osti_id":"2322597","title":"The effect of anxiety on sleep disorders in medical students: a moderated mediation model","doi":"10.3389/fpsyg.2024.1338796","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Psychology Journal Volume: 15","description":"<p>The relationship between anxiety and sleep disorders is a key research topic in the academic community. However, evidence on the mechanism through which anxiety influences sleep disorders remains limited. The purpose of this study was to investigate the roles of flourishing and neuroticism in the mechanism through which anxiety influences sleep disorders in medical students. We constructed a moderated mediation model and tested the mediating role of flourishing and the moderating role of neuroticism in medical college students. The results showed that: (1) anxiety was significantly and positively related to sleep disorders and significantly and negatively related to flourishing; flourishing was significantly and negatively related to sleep disorders; neuroticism was significantly and positively related to sleep disorders; (2) flourishing had a mediation effect on the relationship between anxiety and sleep disorders; (3) neuroticism moderated the process through which flourishing mediated the effect of anxiety on sleep disorders. Our research expands the literature on the mechanism underlying the effects of anxiety on sleep disorders and provides insights into the potential prevention and intervention of sleep and emotional problems in medical students.<\/p>","publication_date":"2024-03-11T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Psychology","journal_volume":"15","format":"Medium: X","authors":["Yu, Chuang","Liu, Zhiyi","Su, Tiehong","Li, Zhongyu","Jiang, Zinan","Zhong, Wen","Xiao, Zhongju"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"}],"sponsor_orgs":["USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1664-1078","other_identifiers":["Journal ID: ISSN 1664-1078; 1338796"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322597"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322597"}]}, {"osti_id":"2323357","title":"Visualisation and outlier detection for probability density function ensembles","doi":"10.1002/sta4.662","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Stat Journal Volume: 13 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Exploratory data analysis (EDA) for functional data—data objects where observations are entire functions—is a difficult problem that has seen significant attention in recent literature. This surge in interest is motivated by the ubiquitous nature of functional data, which are prevalent in applications across fields such as meteorology, biology, medicine and engineering. Empirical probability density functions (PDFs) can be viewed as constrained functional data objects that must integrate to one and be nonnegative. They show up in contexts such as yearly income distributions, zooplankton size structure in oceanography and in connectivity patterns in the brain, among others. While PDF data are certainly common in modern research, little attention has been given to EDA specifically for PDFs. In this paper, we extend several methods for EDA on functional data for PDFs and compare them on simulated data that exhibit different types of variation, designed to mimic that seen in real‐world applications. We then use our new methods to perform EDA on the breakthrough curves observed in gas transport simulations for underground fracture networks.<\/p>","publication_date":"2024-03-11T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Stat","journal_issue":"2","journal_volume":"13","format":"Medium: X","authors":["Murph, Alexander C. [Statistical Sciences (CCS‐6), Computer, Computational, and Statistical Sciences Division Los Alamos National Laboratory Los Alamos New Mexico USA] (ORCID:000000017170867X)","Strait, Justin D. [Statistical Sciences (CCS‐6), Computer, Computational, and Statistical Sciences Division Los Alamos National Laboratory Los Alamos New Mexico USA]","Moran, Kelly R. [Statistical Sciences (CCS‐6), Computer, Computational, and Statistical Sciences Division Los Alamos National Laboratory Los Alamos New Mexico USA]","Hyman, Jeffrey D. [Energy and Natural Resources Security (EES‐16), Earth and Environmental Sciences Division Los Alamos National Laboratory Los Alamos New Mexico USA]","Stauffer, Philip H. [Energy and Natural Resources Security (EES‐16), Earth and Environmental Sciences Division Los Alamos National Laboratory Los Alamos New Mexico USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2049-1573","other_identifiers":["Journal ID: ISSN 2049-1573; e662"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323357"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323357"}]}, {"osti_id":"2323596","title":"Association of female reproductive and hormonal factors with gallbladder cancer risk in Asia: A pooled analysis of the Asia Cohort Consortium","doi":"10.1002/ijc.34916","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: International Journal of Cancer","description":"<title>Abstract<\/title>\n <p>The female predominance of gallbladder cancer (GBC) has led to a hypothesis regarding the hormone‐related aetiology of GBC. We aimed to investigate the association between female reproductive factors and GBC risk, considering birth cohorts of Asian women. We conducted a pooled analysis of 331,323 women from 12 cohorts across 4 countries (China, Japan, Korea, and Singapore) in the Asia Cohort Consortium. Cox proportional hazard models were used to estimate the hazard ratios (HRs) and corresponding 95% confidence intervals (CIs) to assess the association between reproductive factors (age at menarche, parity, age at first delivery, breastfeeding, and age at menopause) and GBC risk. We observed that a later age at menarche was associated with an increased risk of GBC (HR 1.4, 95% CI 1.16–1.70 for 17 years and older vs. 13–14 years), especially among the cohort born in 1940 and later (HR 2.5, 95% CI 1.50–4.35). Among the cohort born before 1940, women with a later age at first delivery showed an increased risk of GBC (HR 1.56, 95% CI 1.08–2.24 for 31 years of age and older vs. 20 years of age and younger). Other reproductive factors did not show a clear association with GBC risk. Later ages at menarche and at first delivery were associated with a higher risk of GBC, and these associations varied by birth cohort.<\/p>","publication_date":"2024-03-13T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"International Journal of Cancer","format":"Medium: X","authors":["Shin, Aesun [Department of Preventive Medicine Seoul National University College of Medicine Seoul Republic of Korea, Cancer Research Institute Seoul National University Seoul Republic of Korea, Integrated Major in Innovative Medical Science Seoul National University College of Medicine Seoul Republic of Korea, Medical Research Centre, Genomic Medicine Institute Seoul National University College of Medicine Seoul Republic of Korea] (ORCID:0000000264261969)","Cho, Sooyoung [Department of Preventive Medicine Seoul National University College of Medicine Seoul Republic of Korea, Medical Research Centre, Genomic Medicine Institute Seoul National University College of Medicine Seoul Republic of Korea]","Abe, Sarah Krull [Division of Prevention, Centre for Public Health Sciences, National Cancer Centre Institute for Cancer Control Tokyo Japan] (ORCID:0000000339912739)","Islam, Md Rashedul [Division of Prevention, Centre for Public Health Sciences, National Cancer Centre Institute for Cancer Control Tokyo Japan, Hitotsubashi Institute for Advanced Study Hitotsubashi University Tokyo Japan]","Rahman, Md Shafiur [Division of Prevention, Centre for Public Health Sciences, National Cancer Centre Institute for Cancer Control Tokyo Japan, Research Centre for Child Mental Development Hamamatsu University School of Medicine Hamamatsu Japan]","Saito, Eiko [Sustainable Society Design Center Graduate School of Frontier Science, The University of Tokyo Tokyo Japan] (ORCID:0000000245509631)","Kazmi, Sayada Zartasha [Department of Preventive Medicine Seoul National University College of Medicine Seoul Republic of Korea] (ORCID:0000000292673637)","Katagiri, Ryoko [Division of Cohort Research National Cancer Centre, Institute for Cancer Control Tokyo Japan, National Institute of Health and Nutrition, National Institutes of Biomedical Innovation, Health and Nutrition Osaka Japan] (ORCID:0000000248672450)","Merritt, Melissa [The Daffodil Centre The University of Sydney, a joint venture with Cancer Council NSW Sydney New South Wales Australia]","Choi, Ji‐Yeob [Department of Biomedical Sciences Seoul National University Graduate School Seoul Republic of Korea] (ORCID:0000000153658189)","Shu, Xiao‐Ou [Division of Epidemiology, Vanderbilt‐Ingram Cancer Centre, Vanderbilt Epidemiology Centre Vanderbilt University Medical Centre Nashville Tennessee USA] (ORCID:0000000207118314)","Sawada, Norie [Division of Cohort Research National Cancer Centre, Institute for Cancer Control Tokyo Japan] (ORCID:0000000299361476)","Tamakoshi, Akiko [Department of Public Health Hokkaido University Faculty of Medicine Sapporo Japan]","Koh, Woon‐Puay [Healthy Longevity Translational Research Programme, Yong Loo Lin School of Medicine National University of Singapore Singapore Singapore, Singapore Institute for Clinical Sciences, Agency for Science Technology and Research (A*STAR) Singapore Singapore]","Sakata, Ritsu [Radiation Effects Research Foundation Hiroshima Japan]","Hozawa, Atsushi [Tohoku University Graduate School of Medicine Miyagi Prefecture Japan]","Kim, Jeongseon [Graduate School of Cancer Science and Policy, National Cancer Centre Gyeonggi‐do Republic of Korea] (ORCID:0000000208892686)","Park, Sue K. [Department of Preventive Medicine Seoul National University College of Medicine Seoul Republic of Korea, Cancer Research Institute Seoul National University Seoul Republic of Korea, Integrated Major in Innovative Medical Science Seoul National University College of Medicine Seoul Republic of Korea] (ORCID:0000000150029707)","Kweon, Sun‐Seog [Department of Preventive Medicine Chonnam National University Medical School Gwangju Republic of Korea]","Wen, Wanqing [Division of Epidemiology, Vanderbilt‐Ingram Cancer Centre, Vanderbilt Epidemiology Centre Vanderbilt University Medical Centre Nashville Tennessee USA]","Tsugane, Shoichiro [Division of Cohort Research National Cancer Centre, Institute for Cancer Control Tokyo Japan, Graduate School of Public Health International University of Health and Welfare Tokyo Japan]","Kimura, Takashi [Department of Public Health Hokkaido University Faculty of Medicine Sapporo Japan]","Yuan, Jian‐Min [Division of Cancer Control and Population Sciences, UPMC Hillman Cancer Centre University of Pittsburgh Pittsburgh Pennsylvania USA, Department of Epidemiology, Graduate School of Public Health University of Pittsburgh Pittsburgh Pennsylvania USA] (ORCID:0000000246203108)","Kanemura, Seiki [Tohoku University Graduate School of Medicine Miyagi Prefecture Japan]","Sugawara, Yumi [Tohoku University Graduate School of Medicine Miyagi Prefecture Japan] (ORCID:0000000201976772)","Shin, Min‐Ho [Department of Preventive Medicine Chonnam National University Medical School Gwangju Republic of Korea]","Ahsan, Habibul [Department of Public Health Sciences University of Chicago Chicago Illinois USA]","Boffetta, Paolo [Stony Brook Cancer Centre Stony Brook University Stony Brook New York USA, Department of Medical and Surgical Sciences University of Bologna Bologna Italy]","Chia, Kee Seng [Saw Swee Hock School of Public Health National University of Singapore Singapore]","Matsuo, Keitaro [Division of Cancer Epidemiology and Prevention Aichi Cancer Centre Research Institute Nagoya Japan, Department of Cancer Epidemiology Nagoya University Graduate School of Medicine Nagoya Japan] (ORCID:0000000317616314)","Qiao, You‐Lin [School of Population Medicine and Public Health, Chinese Academy of Medical Sciences and Peking Union Medical College Beijing China] (ORCID:0000000163800871)","Rothman, Nathaniel [Division of Cancer Epidemiology &, Genetics, Occupational and Environmental Epidemiology Branch, National Cancer Institute Bethesda Maryland USA] (ORCID:0000000208669943)","Zheng, Wei [Division of Epidemiology, Vanderbilt‐Ingram Cancer Centre, Vanderbilt Epidemiology Centre Vanderbilt University Medical Centre Nashville Tennessee USA] (ORCID:000000031226070X)","Inoue, Manami [Division of Prevention, Centre for Public Health Sciences, National Cancer Centre Institute for Cancer Control Tokyo Japan] (ORCID:0000000312762398)","Kang, Daehee [Department of Preventive Medicine Seoul National University College of Medicine Seoul Republic of Korea, Integrated Major in Innovative Medical Science Seoul National University College of Medicine Seoul Republic of Korea] (ORCID:0000000340315878)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0020-7136","other_identifiers":["Journal ID: ISSN 0020-7136; ijc.34916"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323596"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323596"}]}, {"osti_id":"2322602","title":"Sea-surface temperature pattern effects have slowed global warming and biased warming-based constraints on climate sensitivity","doi":"10.1073/pnas.2312093121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 12","description":"<p>\n The observed rate of global warming since the 1970s has been proposed as a strong constraint on equilibrium climate sensitivity (ECS) and transient climate response (TCR)—key metrics of the global climate response to greenhouse-gas forcing. Using CMIP5/6 models, we show that the inter-model relationship between warming and these climate sensitivity metrics (the basis for the constraint) arises from a similarity in transient and equilibrium warming patterns within the models, producing an effective climate sensitivity (EffCS) governing recent warming that is comparable to the value of ECS governing long-term warming under CO\n <inline-formula>\n <math display=\'inline\' overflow=\'scroll\'>\n <msub>\n <mrow/>\n <mn>2<\/mn>\n <\/msub>\n <\/math>\n <\/inline-formula>\n forcing. However, CMIP5/6 historical simulations do not reproduce observed warming patterns. When driven by observed patterns, even high ECS models produce low EffCS values consistent with the observed global warming rate. The inability of CMIP5/6 models to reproduce observed warming patterns thus results in a bias in the modeled relationship between recent global warming and climate sensitivity. Correcting for this bias means that observed warming is consistent with wide ranges of ECS and TCR extending to higher values than previously recognized. These findings are corroborated by energy balance model simulations and coupled model (CESM1-CAM5) simulations that better replicate observed patterns via tropospheric wind nudging or Antarctic meltwater fluxes. Because CMIP5/6 models fail to simulate observed warming patterns, proposed warming-based constraints on ECS, TCR, and projected global warming are biased low. The results reinforce recent findings that the unique pattern of observed warming has slowed global-mean warming over recent decades and that how the pattern will evolve in the future represents a major source of uncertainty in climate projections.\n <\/p>","publication_date":"2024-03-11T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"12","journal_volume":"121","format":"Medium: X","authors":["Armour, Kyle C. [Department of Atmospheric Sciences, University of Washington, Seattle, WA 98195, School of Oceanography, University of Washington, Seattle, WA 98195] (ORCID:0000000268335179)","Proistosescu, Cristian [Department of Climate, Meteorology, and Atmospheric Sciences, University of Illinois, Urbana-Champaign, Champaign, IL 61801, Department of Earth Sciences and Environmental Change, University of Illinois, Urbana-Champaign, Champaign, IL 61801] (ORCID:000000021717124X)","Dong, Yue [Cooperative Institute for Research in Environmental Sciences, University of Colorado, Boulder, CO 80309]","Hahn, Lily C. [Scripps Institution of Oceanography, La Jolla, CA 92093] (ORCID:0000000205735183)","Blanchard-Wrigglesworth, Edward [Department of Atmospheric Sciences, University of Washington, Seattle, WA 98195] (ORCID:0000000226080868)","Pauling, Andrew G. [Department of Physics, University of Otago, Dunedin, NZ 9016]","Jnglin Wills, Robert C. [Department of Atmospheric Sciences, University of Washington, Seattle, WA 98195, Institute for Atmospheric and Climate Science, ETH Zurich, Zurich, CH 8092] (ORCID:0000000277762076)","Andrews, Timothy [Met Office Hadley Centre, Exeter EX1 3PB, United Kingdom]","Stuecker, Malte F. [Department of Oceanography and International Pacific Research Center, School of Ocean and Earth Science and Technology, University of Hawai’i at Mānoa, Honolulu, HI 96822] (ORCID:0000000183550662)","Po-Chedley, Stephen [Program for Climate Model Diagnosis and Intercomparison, Lawrence Livermore National Laboratory, Livermore, CA 94550] (ORCID:000000020390238X)","Mitevski, Ivan [Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027] (ORCID:0000000191723236)","Forster, Piers M. [Priestley International Centre for Climate, University of Leeds, Leeds LS2 9JT, United Kingdom]","Gregory, Jonathan M. [Met Office Hadley Centre, Exeter EX1 3PB, United Kingdom, National Centre for Atmospheric Science, University of Reading, Reading RG6 6ET, United Kingdom]"],"article_type":"Published Article","doe_contract_number":"SC0022110","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2312093121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322602"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322602"}]}, {"osti_id":"2322592","title":"NBI optimization on SMART and implications for scenario development","doi":"10.1088/1361-6587/ad2edc","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Plasma Physics and Controlled Fusion Journal Volume: 66 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>The SMall Aspect Ratio Tokamak (SMART) under commissioning at the University of Seville, Spain, aims to explore confinement properties and possible advantages in confinement for compact/spherical tokamaks operating at negative vs. positive triangularity. This work explores the benefits of auxiliary heating through Neutral Beam Injection (NBI) for SMART scenarios beyond the initial Ohmic phase of operations, in support of the device’s mission. Expected values of electron and ion temperature achievable with NBI heating are first predicted for the current flat-top phase, including modeling to optimize the NBI injection geometry to maximize NBI absorption and minimize losses for a given equilibrium. Simulations are then extended for a selected case to cover the current ramp-up phase. Differences with results obtained for the flat-top phase indicate the importance of determining the plasma evolution over time, as well as self-consistently determining the edge plasma parameters for reliable time-dependent simulations. Initial simulation results indicate the advantage of auxiliary NBI heating to achieve nearly double values of pressure and stored energy compared to Ohmic discharges, thus significantly increasing the device’s performance. The scenarios developed in this work will also contribute to diagnostic development and optimization for SMART, as well as providing test cases for initial predictions of macro- and micro-instabilities.<\/p>","publication_date":"2024-03-11T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"IOP Publishing","journal_name":"Plasma Physics and Controlled Fusion","journal_issue":"4","journal_volume":"66","format":"Medium: X; Size: Article No. 045021","authors":["Podestà, M. (ORCID:0000000349750585)","Cruz-Zabala, D. J. (ORCID:0000000159255153)","Poli, F. M. (ORCID:0000000339594371)","Dominguez-Palacios, J.","Berkery, J. W. (ORCID:0000000280623210)","Garcia-Muñoz, M. (ORCID:000000023241502X)","Viezzer, E. (ORCID:0000000164196848)","Mancini, A.","Segado, J.","Velarde, L.","Kaye, S. M. (ORCID:0000000225141163)"],"article_type":"Published Article","doe_contract_number":"AC02-09CH11466","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0741-3335","other_identifiers":["Journal ID: ISSN 0741-3335"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322592"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322592"}]}, {"osti_id":"2322599","title":"Fast Charge‐Transfer Rates in Li‐CO\n <sub>2<\/sub>\n Batteries with a Coupled Cation‐Electron Transfer Process","doi":"10.1002/aenm.202303467","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Energy Materials","description":"<title>Abstract<\/title>\n <p>\n Li‐CO\n <sub>2<\/sub>\n batteries with a high theoretical energy density (1876 Wh kg\n <sup>−1<\/sup>\n ) have unique benefits for reversible carbon fixation for energy storage systems. However, due to lack of stable and highly active catalysts, the long‐term operation of Li‐CO\n <sub>2<\/sub>\n batteries is limited to low current densities (mainly <0.2 mA cm\n <sup>−2<\/sup>\n ) that are far from practical conditions. In this work, it is discovered that, with an ionic liquid‐based electrolyte, highly active and stable transition metal trichalcogenide alloy catalysts of Sb\n <sub>0.67<\/sub>\n Bi\n <sub>1.33<\/sub>\n X\n <sub>3<\/sub>\n (X = S, Te) enable operation of the Li‐CO\n <sub>2<\/sub>\n battery at a very high current rate of 1 mA cm\n <sup>−2<\/sup>\n for up to 220 cycles. It is revealed that: i) the type of chalcogenide (Te vs S) significantly affects the electronic and catalytic properties of the catalysts, ii) a coupled cation‐electron charge transfer process facilitates the carbon dioxide reduction reaction (CO\n <sub>2<\/sub>\n RR) occurring during discharge, and iii) the concentration of ionic liquid in the electrolyte controls the number of participating CO\n <sub>2<\/sub>\n molecules in reactions. A combination of these key factors is found to be crucial for a successful operation of the Li‐CO\n <sub>2<\/sub>\n chemistry at high current rates. This work introduces a new class of catalysts with potential to fundamentally solve challenges of this type of batteries.\n <\/p>","publication_date":"2024-03-11T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Energy Materials","format":"Medium: X","authors":["Jaradat, Ahmad [Department of Mechanical and Industrial Engineering University of Illinois at Chicago Chicago IL 60607 United States]","Ncube, Musawenkosi K. [Department of Chemical Engineering University of Illinois at Chicago Chicago IL 60608 United States]","Papailias, Ilias [Department of Mechanical and Industrial Engineering University of Illinois at Chicago Chicago IL 60607 United States] (ORCID:0000000333045072)","Rai, Nikhil [Department of Mechanical and Industrial Engineering University of Illinois at Chicago Chicago IL 60607 United States]","Kumar, Khagesh [Department of Chemistry University of Illinois at Chicago Chicago IL 60607 United States]","Koverga, Volodymyr [Department of Chemical Engineering University of Illinois at Chicago Chicago IL 60608 United States, Materials Science Division Argonne National Laboratory Lemont IL 60439 United States]","Nemade, Roshan Y. [Department of Chemical Engineering University of Illinois at Chicago Chicago IL 60608 United States]","Zhang, Chengji [Department of Mechanical and Industrial Engineering University of Illinois at Chicago Chicago IL 60607 United States, Materials Science Division Argonne National Laboratory Lemont IL 60439 United States]","Shan, Nannan [Department of Chemical Engineering University of Illinois at Chicago Chicago IL 60608 United States, Materials Science Division Argonne National Laboratory Lemont IL 60439 United States]","Shahbazi, Hessam [Department of Mechanical and Industrial Engineering University of Illinois at Chicago Chicago IL 60607 United States] (ORCID:0000000328184158)","Namaeighasemi, Arash [Department of Mechanical and Industrial Engineering University of Illinois at Chicago Chicago IL 60607 United States]","Seraji, Pardis [Department of Mechanical and Industrial Engineering University of Illinois at Chicago Chicago IL 60607 United States] (ORCID:0009000304909609)","Namvar, Shahriar [Department of Mechanical and Industrial Engineering University of Illinois at Chicago Chicago IL 60607 United States]","Berry, Vikas [Department of Chemical Engineering University of Illinois at Chicago Chicago IL 60608 United States]","Cabana, Jordi [Department of Chemistry University of Illinois at Chicago Chicago IL 60607 United States]","Subramanian, Arunkumar [Department of Mechanical and Industrial Engineering University of Illinois at Chicago Chicago IL 60607 United States]","Ngo, Anh T. [Department of Chemical Engineering University of Illinois at Chicago Chicago IL 60608 United States, Materials Science Division Argonne National Laboratory Lemont IL 60439 United States]","Curtiss, Larry A. [Materials Science Division Argonne National Laboratory Lemont IL 60439 United States]","Salehi‐Khojin, Amin [Department of Mechanical and Industrial Engineering University of Illinois at Chicago Chicago IL 60607 United States] (ORCID:0000000205888964)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1614-6832","other_identifiers":["Journal ID: ISSN 1614-6832; 2303467"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322599"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322599"}]}, {"osti_id":"2317707","title":"Effects of single and multiple nucleotide mutations on loop-mediated isothermal amplification","doi":"10.1039/D3AN01927F","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Analyst Journal Volume: 149 Journal Issue: 6","description":"<p>Nucleotide substitutions and deletions can slow or completely inhibit nucleic acid amplification compared to unmodified control samples.<\/p>","publication_date":"2024-03-11T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Analyst","journal_issue":"6","journal_volume":"149","format":"Medium: X; Size: p. 1701-1708","authors":["Moehling, Taylor J. [Department of Biotechnology and Bioengineering, Sandia National Laboratories, 7011 East Ave, Livermore, CA, USA 94550] (ORCID:0000000218487078)","Browne, Erica R. [Department of Biotechnology and Bioengineering, Sandia National Laboratories, 7011 East Ave, Livermore, CA, USA 94550]","Meagher, Robert J. [Department of Biotechnology and Bioengineering, Sandia National Laboratories, 7011 East Ave, Livermore, CA, USA 94550] (ORCID:0000000262622126)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0003-2654","other_identifiers":["Journal ID: ISSN 0003-2654; ANALAO"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317707"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317707"}]}, {"osti_id":"2323351","title":"Prandtl number effects on extreme mixing events in forced stratified turbulence","doi":"10.1017/jfm.2024.110","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Fluid Mechanics Journal Volume: 983","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Cambridge University Press (CUP)","journal_name":"Journal of Fluid Mechanics","journal_volume":"983","format":"Medium: X","description":"<p>\n Relatively strongly stratified turbulent flows tend to self-organise into a ‘layered anisotropic stratified turbulence’ (LAST) regime, characterised by relatively deep and well-mixed density ‘layers’ separated by relatively thin ‘interfaces’ of enhanced density gradient. Understanding the associated mixing dynamics is a central problem in geophysical fluid dynamics. It is challenging to study LAST mixing, as it is associated with Reynolds numbers\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline1.png\' mime-subtype=\'png\'/>\n <tex-math>$Re := UL/\\nu \\gg 1$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n and Froude numbers\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline2.png\' mime-subtype=\'png\'/>\n <tex-math>$Fr :=(2{\\rm \\pi} U)/(L N) \\ll 1$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n (\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline3.png\' mime-subtype=\'png\'/>\n <tex-math>$U$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n and\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline4.png\' mime-subtype=\'png\'/>\n <tex-math>$L$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n being characteristic velocity and length scales,\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline5.png\' mime-subtype=\'png\'/>\n <tex-math>$\\nu$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n the kinematic viscosity and\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline6.png\' mime-subtype=\'png\'/>\n <tex-math>$N$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n the buoyancy frequency). Since a sufficiently large dynamic range (largely) unaffected by stratification and viscosity is required, it is also necessary for the buoyancy Reynolds number\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline7.png\' mime-subtype=\'png\'/>\n <tex-math>$Re_{b} := \\epsilon /(\\nu N^{2}) \\gg 1$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n , where\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline8.png\' mime-subtype=\'png\'/>\n <tex-math>$\\epsilon$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n is the (appropriately volume-averaged) turbulent kinetic energy dissipation rate. This requirement is exacerbated for oceanically relevant flows, as the Prandtl number\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline9.png\' mime-subtype=\'png\'/>\n <tex-math>$Pr := \\nu /\\kappa = {O}(10)$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n in thermally stratified water (where\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline10.png\' mime-subtype=\'png\'/>\n <tex-math>$\\kappa$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n is the thermal diffusivity), thus leading (potentially) to even finer density field structures. We report here on four forced fully resolved direct numerical simulations of stratified turbulence at various Froude (\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline11.png\' mime-subtype=\'png\'/>\n <tex-math>$Fr=0.5, 2$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n ) and Prandtl (\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline12.png\' mime-subtype=\'png\'/>\n <tex-math>$Pr=1, 7$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n ) numbers forced so that\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline13.png\' mime-subtype=\'png\'/>\n <tex-math>$Re_{b}=50$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n , with resolutions up to\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline14.png\' mime-subtype=\'png\'/>\n <tex-math>$30\\,240 \\times 30\\,240 \\times 3780$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n . We find that, as\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline15.png\' mime-subtype=\'png\'/>\n <tex-math>$Pr$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n increases, emergent ‘interfaces’ become finer and their contribution to bulk mixing characteristics decreases at the expense of the small-scale density structures populating the well-mixed ‘layers’. However, extreme mixing events (as quantified by significantly elevated local destruction rates of buoyancy variance\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline16.png\' mime-subtype=\'png\'/>\n <tex-math>$\\chi _0$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n ) are always preferentially found in the (statically stable) interfaces, irrespective of the value of\n <inline-formula>\n <alternatives>\n <inline-graphic href=\'S0022112024001101_inline17.png\' mime-subtype=\'png\'/>\n <tex-math>$Pr$<\/tex-math>\n <\/alternatives>\n <\/inline-formula>\n .\n <\/p>","authors":["Petropoulos, Nicolaos (ORCID:0000000285857139)","Couchman, Miles M. P. (ORCID:0000000246676829)","Mashayek, Ali (ORCID:0000000282023294)","de Bruyn Kops, Stephen M. (ORCID:0000000277278786)","Caulfield, Colm-cille P. (ORCID:0000000231709480)"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-1120","other_identifiers":["Journal ID: ISSN 0022-1120; R1; PII: S0022112024001101"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323351"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323351"}]}, {"osti_id":"2322453","title":"Tuning polymer-backbone coplanarity and conformational order to achieve high-performance printed all-polymer solar cells","doi":"10.1038/s41467-024-46493-4","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>All-polymer solar cells (all-PSCs) offer improved morphological and mechanical stability compared with those containing small-molecule-acceptors (SMAs). They can be processed with a broader range of conditions, making them desirable for printing techniques. In this study, we report a high-performance polymer acceptor design based on bithiazole linker (PY-BTz) that are on par with SMAs. We demonstrate that bithiazole induces a more coplanar and ordered conformation compared to bithiophene due to the synergistic effect of non-covalent backbone planarization and reduced steric encumbrances. As a result, PY-BTz shows a significantly higher efficiency of 16.4% in comparison to the polymer acceptors based on commonly used thiophene-based linkers (i.e., PY-2T, 9.8%). Detailed analyses reveal that this improvement is associated with enhanced conjugation along the backbone and closer interchain π-stacking, resulting in higher charge mobilities, suppressed charge recombination, and reduced energetic disorder. Remarkably, an efficiency of 14.7% is realized for all-PSCs that are solution-sheared in ambient conditions, which is among the highest for devices prepared under conditions relevant to scalable printing techniques. This work uncovers a strategy for promoting backbone conjugation and planarization in emerging polymer acceptors that can lead to superior all-PSCs.<\/p>","publication_date":"2024-03-09T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Wu, Yilei (ORCID:0000000167561855)","Yuan, Yue","Sorbelli, Diego (ORCID:0000000213481371)","Cheng, Christina","Michalek, Lukas (ORCID:0000000222575038)","Cheng, Hao-Wen","Jindal, Vishal (ORCID:0000000250478868)","Zhang, Song","LeCroy, Garrett","Gomez, Enrique D. (ORCID:0000000189424480)","Milner, Scott T.","Salleo, Alberto (ORCID:0000000274489123)","Galli, Giulia (ORCID:0000000280015290)","Asbury, John B.","Toney, Michael F. (ORCID:0000000275131166)","Bao, Zhenan (ORCID:0000000209721715)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 2170; PII: 46493"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322453"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322453"}]}, {"osti_id":"2322447","title":"Label-free functional analysis of root-associated microbes with dynamic quantitative oblique back-illumination microscopy","doi":"10.1038/s41598-024-56443-1","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Scientific Reports Journal Volume: 14 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n The increasing global demand for food, coupled with concerns about the environmental impact of synthetic fertilizers, underscores the urgency of developing sustainable agricultural practices. Nitrogen-fixing bacteria, known as diazotrophs, offer a potential solution by converting atmospheric nitrogen into bioavailable forms, reducing the reliance on synthetic fertilizers. However, a deeper understanding of their interactions with plants and other microbes is needed. In this study, we introduce a recently developed label-free 3D quantitative phase imaging technology called dynamic quantitative oblique back-illumination microscopy (DqOBM) to assess the functional dynamic activity of diazotrophs in vitro and in situ. Our experiments involved three different diazotrophs (\n <italic>Sinorhizobium meliloti<\/italic>\n ,\n <italic>Azotobacter vinelandii<\/italic>\n , and\n <italic>Rahnella aquatilis<\/italic>\n ) cultured on media with amendments of carbon and nitrogen sources. Over 5 days, we observed increased dynamics in nutrient-amended media. These results suggest that the observed bacterial dynamics correlate with their metabolic activity. Furthermore, we applied qOBM to visualize microbial dynamics within the root cap and elongation zone of\n <italic>Arabidopsis thaliana<\/italic>\n primary roots. This allowed us to identify distinct areas of microbial infiltration in plant roots without the need for fluorescent markers. Our findings demonstrate that DqOBM can effectively characterize microbial dynamics and provide insights into plant-microbe interactions\n <italic>in situ<\/italic>\n , offering a valuable tool for advancing our understanding of sustainable agriculture.\n <\/p>","publication_date":"2024-03-09T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: X","authors":["Filan, Caroline","Green, Madison","Diering, Abigail","Cicerone, Marcus T.","Cheung, Lily S.","Kostka, Joel E.","Robles, Francisco E."],"article_type":"Published Article","doe_contract_number":"DOE BER DE-SC0022121; NIH NIGMS R35GM147437; NSF GRFP DGE-2039655","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; 5812; PII: 56443"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322447"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322447"}]}, {"osti_id":"2322449","title":"Construction of Reconfigurable and Polymorphic DNA Origami Assemblies with Coiled‐Coil Patches and Patterns","doi":"10.1002/advs.202307257","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Science","description":"<title>Abstract<\/title>\n <p>DNA origami nanodevices achieve programmable structure and tunable mechanical and dynamic properties by leveraging the sequence‐specific interactions of nucleic acids. Previous advances have also established DNA origami as a useful building block to make well‐defined micron‐scale structures through hierarchical self‐assembly, but these efforts have largely leveraged the structural features of DNA origami. The tunable dynamic and mechanical properties also provide an opportunity to make assemblies with adaptive structures and properties. Here the integration of DNA origami hinge nanodevices and coiled‐coil peptides are reported into hybrid reconfigurable assemblies. With the same dynamic device and peptide interaction, it is made multiple higher‐order assemblies (i.e., polymorphic assembly) by organizing clusters of peptides into patches or arranging single peptides into patterns on the surfaces of DNA origami to control the relative orientation of devices. The coiled‐coil interactions are used to construct circular and linear assemblies whose structure and mechanical properties can be modulated with DNA‐based reconfiguration. Reconfiguration of linear assemblies leads to micron scale motions and ≈2.5‐10‐fold increase in bending stiffness. The results provide a foundation for stimulus‐responsive hybrid assemblies that can adapt their structure and properties in response to nucleic acid, peptide, protein, or other triggers.<\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Science","format":"Medium: X","authors":["Teng, Teng [Department of Mechanical and Aerospace Engineering The Ohio State University Columbus OH 43210 USA]","Bernal‐Chanchavac, Julio [School of Molecular Sciences Arizona State University Tempe AZ 85287 USA, Center for Molecular Design and Biomimetics The Biodesign Institute, Arizona State University Tempe AZ 85287 USA]","Stephanopoulos, Nicholas [School of Molecular Sciences Arizona State University Tempe AZ 85287 USA, Center for Molecular Design and Biomimetics The Biodesign Institute, Arizona State University Tempe AZ 85287 USA] (ORCID:000000017859410X)","Castro, Carlos E. [Department of Mechanical and Aerospace Engineering The Ohio State University Columbus OH 43210 USA] (ORCID:0000000170236105)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2198-3844","other_identifiers":["Journal ID: ISSN 2198-3844; 2307257"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322449"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322449"}]}, {"osti_id":"2320329","title":"Fundamental absorption bandwidth to thickness limit for transparent homogeneous layers","doi":"10.1515/nanoph-2023-0920","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Nanophotonics Journal Volume: 0 Journal Issue: 0","description":"<title>Abstract<\/title>\n <p>Past work has considered the analytic properties of the reflection coefficient for a metal-backed slab. The primary result established a fundamental relationship for the minimal layer thickness to bandwidth ratio achievable for an absorber. There has yet to be establishment of a similar relationship for non-metal-backed layers, and here we present the universal result based on the Kramers–Kronig relations. Our theory is validated with transfer matrix calculations of homogeneous materials, and full-wave numerical simulations of electromagnetic metamaterials. Our results place more general fundamental limits on absorbers and thus will be important for both fundamental and applied studies.<\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"Walter de Gruyter GmbH","journal_name":"Nanophotonics","journal_issue":"0","journal_volume":"0","format":"Medium: X","authors":["Padilla, Willie J. [Pratt School of Engineering , Duke University , Durham , NC , 27705 , USA] (ORCID:0000000177348847)","Deng, Yang [Pratt School of Engineering , Duke University , Durham , NC , 27705 , USA] (ORCID:0000000207219684)","Khatib, Omar [Pratt School of Engineering , Duke University , Durham , NC , 27705 , USA] (ORCID:0000000322496556)","Tarokh, Vahid [Pratt School of Engineering , Duke University , Durham , NC , 27705 , USA]"],"article_type":"Published Article","doe_contract_number":"DESC0014372","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2192-8606","other_identifiers":["Journal ID: ISSN 2192-8606"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320329"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320329"}]}, {"osti_id":"2320308","title":"In situ tuning of optomechanical crystals with nano-oxidation","doi":"10.1364/OPTICA.516479","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optica Journal Volume: 11 Journal Issue: 3","description":"<p>\n Optomechanical crystals are a promising device platform for quantum\n\t\t\t\t\ttransduction and sensing. Precise targeting of the optical and\n\t\t\t\t\tacoustic resonance frequencies of these devices is crucial for future\n\t\t\t\t\tadvances on these fronts. However, fabrication disorder in these\n\t\t\t\t\twavelength-scale nanoscale devices typically leads to inhomogeneous\n\t\t\t\t\tresonance frequencies. Here we achieve\n <italic toggle=\'yes\'>in\n\t\t\t\t\tsitu<\/italic>\n , selective frequency tuning of optical and acoustic\n\t\t\t\t\tresonances in silicon optomechanical crystals via electric\n\t\t\t\t\tfield-induced nano-oxidation using an atomic-force microscope. Our\n\t\t\t\t\tmethod can achieve a tuning range >2nm (0.13%) for the optical resonance\n\t\t\t\t\twavelength in the telecom C-band, and >60MHz (1.2%) for the acoustic resonance\n\t\t\t\t\tfrequency at 5 GHz. The tuning resolution of 1.1 pm for\n\t\t\t\t\tthe optical wavelength and 150 kHz for the acoustic frequency\n\t\t\t\t\tallows us to spectrally align multiple optomechanical crystal\n\t\t\t\t\tresonators using a pattern generation algorithm. Our results establish\n\t\t\t\t\ta method for precise post-fabrication tuning of optomechanical\n\t\t\t\t\tcrystals. This technique can enable coupled optomechanical resonator\n\t\t\t\t\tarrays, scalable resonant optomechanical circuits, and frequency\n\t\t\t\t\tmatching of microwave-optical quantum transducers.\n <\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"Optical Society of America","journal_name":"Optica","journal_issue":"3","journal_volume":"11","format":"Medium: X; Size: Article No. 371","authors":["Hatipoglu, Utku (ORCID:0000000205119196)","Sonar, Sameer (ORCID:0000000210829360)","Lake, David P.","Meesala, Srujan","Painter, Oskar"],"article_type":"Published Article","doe_contract_number":"AC02-06CH11357; PHY-1125565; W911NF-18-1-0103","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2334-2536","other_identifiers":["Journal ID: ISSN 2334-2536"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320308"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320308"}]}, {"osti_id":"2323349","title":"Microphysical properties of atmospheric soot and organic particles: measurements, modeling, and impacts","doi":"10.1038/s41612-024-00610-8","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: npj Climate and Atmospheric Science; Journal Volume: 7; Journal Issue: 1","description":"Atmospheric soot and organic particles from fossil fuel combustion and biomass burning modify Earth’s climate through their interactions with solar radiation and through modifications of cloud properties by acting as cloud condensation nuclei and ice nucleating particles. Recent advancements in understanding their individual properties and microscopic composition have led to heightened interest in their microphysical properties. This review article provides an overview of current advanced microscopic measurements and offers insights into future avenues for studying microphysical properties of these particles. To quantify soot morphology and ageing, fractal dimension (<em>D<\/em><sub><em>f<\/em><\/sub>) is a commonly employed quantitative metric which allows to characterize morphologies of soot aggregates and their modifications in relation to ageing factors like internal mixing state, core-shell structures, phase, and composition heterogeneity. Models have been developed to incorporate <em>D<\/em><sub><em>f<\/em><\/sub> and mixing diversity metrics of aged soot particles, enabling quantitative assessment of their optical absorption and radiative forcing effects. The microphysical properties of soot and organic particles are complex and they are influenced by particle sources, ageing process, and meteorological conditions. Furthermore, soluble organic particles exhibit diverse forms and can engage in liquid–liquid phase separation with sulfate and nitrate components. Primary carbonaceous particles such as tar balls and soot warrant further attention due to their strong light absorbing properties, presence of toxic organic constituents, and small size, which can impact human health. Future research needs include both atmospheric measurements and modeling approaches, focusing on changes in the mixing structures of soot and organic particle ensembles, their effects on climate dynamics and human health.","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Springer Nature","journal_name":"npj Climate and Atmospheric Science","journal_issue":"1","journal_volume":"7","format":"Medium: ED; Size: Article No. 65","authors":["Li, Weijun [Zhejiang Univ., Hangzhou (China)] (ORCID:0000000348874260)","Riemer, Nicole [Univ. of Illinois at Urbana-Champaign, IL (United States)] (ORCID:0000000232203457)","Xu, Liang [China Jiliang University, Hangzhou (China)]","Wang, Yuanyuan [Zhejiang Univ., Hangzhou (China)]","Adachi, Kouji [Meteorological Research Inst. (MRI), Tsukuba (Japan)] (ORCID:0000000229771728)","Shi, Zongbo [Univ. of Birmingham (United Kingdom)] (ORCID:000000027157543X)","Zhang, Daizhou [Prefectural University of Kumamoto (Japan)] (ORCID:0000000214482325)","Zheng, Zhonghua [Univ. of Manchester (United Kingdom)] (ORCID:000000020642650X)","Laskin, Alexander [Purdue Univ., West Lafayette, IN (United States)] (ORCID:0000000278368417)"],"subjects":["54 ENVIRONMENTAL SCIENCES","soot","atmospheric organic particles","light absorption","atmospheric chemistry","environmental impact"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0021977; SC0022130","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER). Earth & Environmental Systems Science (EESS)"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)","USDOE Office of Science (SC), Biological and Environmental Research (BER). Earth & Environmental Systems Science (EESS)","USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Purdue Univ., West Lafayette, IN (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Purdue Univ., West Lafayette, IN (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2397-3722","other_identifiers":["Journal ID: ISSN 2397-3722"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323349"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2323349"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323349"}]}, {"osti_id":"2320294","title":"Robust errant beam prognostics with conditional modeling for particle accelerators","doi":"10.1088/2632-2153/ad2e18","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Machine Learning: Science and Technology Journal Volume: 5 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Particle accelerators are complex and comprise thousands of components, with many pieces of equipment running at their peak power. Consequently, they can fault and abort operations for numerous reasons, lowering efficiency and science output. To avoid these faults, we apply anomaly detection techniques to predict unusual behavior and perform preemptive actions to improve the total availability. Supervised Machine Learning (ML) techniques such as Siamese Neural Network (SNN) models can outperform the often-used unsupervised or semi-supervised approaches for anomaly detection by leveraging the label information. One of the challenges specific to anomaly detection for particle accelerators is the data’s variability due to accelerator configuration changes within a production run of several months. ML models fail at providing accurate predictions when data changes due to changes in the configuration. To address this challenge, we include the configuration settings into our models and training to improve the results. Beam configurations are used as a conditional input for the model to learn any cross-correlation between the data from different conditions and retain its performance. We employ Conditional Siamese Neural Network (CSNN) models and Conditional Variational Auto Encoder (CVAE) models to predict errant beam pulses at the Spallation Neutron Source (SNS) under different system configurations and compare their performance. We demonstrate that CSNNs outperform CVAEs in our application.<\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"IOP Publishing","journal_name":"Machine Learning: Science and Technology","journal_issue":"1","journal_volume":"5","format":"Medium: X; Size: Article No. 015044","authors":["Rajput, Kishansingh (ORCID:0000000244309937)","Schram, Malachi (ORCID:0000000234752871)","Blokland, Willem","Alanazi, Yasir","Ramuhalli, Pradeep","Zhukov, Alexander","Peters, Charles","Vilalta, Ricardo"],"article_type":"Published Article","doe_contract_number":"SC0009915","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2632-2153","other_identifiers":["Journal ID: ISSN 2632-2153"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320294"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320294"}]}, {"osti_id":"2320283","title":"“QGP Signatures” revisited","doi":"10.1140/epjc/s10052-024-12533-y","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: European Physical Journal. C, Particles and Fields (Online) Journal Volume: 84 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n We revisit the graphic table of QCD signatures in our 1996\n <italic>Annual Reviews<\/italic>\n article “The Search for the Quark–Gluon Plasma” and assess the progress that has been made since its publication towards providing quantitative evidence for the formation of a quark–gluon plasma in relativistic heavy-ion collisions and its characteristic properties.\n <\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"European Physical Journal. C, Particles and Fields (Online)","journal_issue":"3","journal_volume":"84","format":"Medium: X","authors":["Harris, John W.","Müller, Berndt"],"article_type":"Published Article","doe_contract_number":"FG02-05ER41367; SC004168","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1434-6052","other_identifiers":["Journal ID: ISSN 1434-6052; 247; PII: 12533"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320283"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320283"}]}, {"osti_id":"2320310","title":"Improving the performance of cryogenic calorimeters with nonlinear multivariate noise cancellation algorithms","doi":"10.1140/epjc/s10052-024-12595-y","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: European Physical Journal. C, Particles and Fields (Online) Journal Volume: 84 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>State-of-the-art physics experiments require high-resolution, low-noise, and low-threshold detectors to achieve competitive scientific results. However, experimental environments invariably introduce sources of noise, such as electrical interference or microphonics. The sources of this environmental noise can often be monitored by adding specially designed “auxiliary devices” (e.g. microphones, accelerometers, seismometers, magnetometers, and antennae). A model can then be constructed to predict the detector noise based on the auxiliary device information, which can then be subtracted from the true detector signal. Here, we present a multivariate noise cancellation algorithm which can be used in a variety of settings to improve the performance of detectors using multiple auxiliary devices. To validate this approach, we apply it to simulated data to remove noise due to electromagnetic interference and microphonic vibrations. We then employ the algorithm to a cryogenic light detector in the laboratory and show an improvement in the detector performance. Finally, we motivate the use of nonlinear terms to better model vibrational contributions to the noise in thermal detectors. We show a further improvement in the performance of a particular channel of the CUORE detector when using the nonlinear algorithm in combination with optimal filtering techniques.<\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"European Physical Journal. C, Particles and Fields (Online)","journal_issue":"3","journal_volume":"84","format":"Medium: X","authors":["Vetter, K. J. (ORCID:0000000279491468)","Beretta, M. (ORCID:0000000293241959)","Capelli, C. (ORCID:000000033330621X)","Corso, F. Del (ORCID:000000017799577X)","Hansen, E. V. (ORCID:0000000222718078)","Huang, R. G. (ORCID:0000000198321192)","Kolomensky, Yu. G. (ORCID:0000000184969975)","Marini, L. (ORCID:0000000290961598)","Nutini, I. (ORCID:0000000332150540)","Singh, V. (ORCID:0000000204014421)","Torres, A. (ORCID:0000000253734863)","Welliver, B. (ORCID:0000000244594563)","Zimmermann, S. (ORCID:0000000300875184)","Zucchelli, S. (ORCID:0000000224111085)"],"article_type":"Published Article","doe_contract_number":"AC02-814 05CH1123; FG02-00ER4113","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1434-6052","other_identifiers":["Journal ID: ISSN 1434-6052; 243; PII: 12595"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320310"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320310"}]}, {"osti_id":"2320297","title":"The role of interdecadal climate oscillations in driving Arctic atmospheric river trends","report_number":"PNNL-SA-190165","doi":"10.1038/s41467-024-45159-5","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Atmospheric rivers (ARs), intrusions of warm and moist air, can effectively drive weather extremes over the Arctic and trigger subsequent impact on sea ice and climate. What controls the observed multi-decadal Arctic AR trends remains unclear. Here, using multiple sources of observations and model experiments, we find that, contrary to the uniform positive trend in climate simulations, the observed Arctic AR frequency increases by twice as much over the Atlantic sector compared to the Pacific sector in 1981-2021. This discrepancy can be reconciled by the observed positive-to-negative phase shift of Interdecadal Pacific Oscillation (IPO) and the negative-to-positive phase shift of Atlantic Multidecadal Oscillation (AMO), which increase and reduce Arctic ARs over the Atlantic and Pacific sectors, respectively. Removing the influence of the IPO and AMO can reduce the projection uncertainties in near-future Arctic AR trends by about 24%, which is important for constraining projection of Arctic warming and the timing of an ice-free Arctic.<\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Ma, Weiming (ORCID:0000000339891165)","Wang, Hailong (ORCID:0000000219944402)","Chen, Gang (ORCID:0000000349341909)","Leung, L. Ruby (ORCID:0000000232219467)","Lu, Jian (ORCID:0000000182456930)","Rasch, Philip J. (ORCID:0000000251252174)","Fu, Qiang","Kravitz, Ben (ORCID:0000000163181150)","Zou, Yufei (ORCID:0000000326670697)","Cassano, John J. (ORCID:0000000331763978)","Maslowski, Wieslaw"],"subjects":["atmospheric dynamics","attribution","projection and prediction"],"article_type":"Published Article","doe_contract_number":"AC05-76RL01830; AC02-05CH11231; AGS-2232581; 80NSSC21K1522; SES−1754740","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Science Foundation (NSF)"},{"name":"National Aeronautics and Space Administration (NASA)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Science Foundation (NSF)","National Aeronautics and Space Administration (NASA)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 2135; PII: 45159"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320297"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320297"}]}, {"osti_id":"2320274","title":"Developing a Redox Network for Coastal Saltmarsh Systems in the PFLOTRAN Reaction Model","doi":"10.1029/2023JG007633","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Geophysical Research. Biogeosciences Journal Volume: 129 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n Coastal ecosystems have been largely ignored in Earth system models but are important zones for carbon and nutrient processing. Interactions between water, microbes, soil, sediments, and vegetation are important for mechanistic representation of coastal processes and ecosystem function. To investigate the role of these feedbacks, we used a reactive transport model (PFLOTRAN) that has the capability to be connected to the Energy Exascale Earth System Model (E3SM). PFLOTRAN was used to incorporate redox reactions and track chemical species important for coastal ecosystems as well as define simple representations of vegetation dynamics. Our goal was to incorporate oxygen flux, salinity, pH, sulfur cycling, and methane production along with plant‐mediated transport of gases and tidal flux. Using porewater profile and incubation data for model calibration and evaluation, we were able to create depth‐resolved biogeochemical soil profiles for saltmarsh habitat and use this updated representation to simulate direct and indirect effects of elevated CO\n <sub>2<\/sub>\n and temperature on subsurface biogeochemical cycling. We found that simply changing the partial pressure of CO\n <sub>2<\/sub>\n or increasing temperature in the model did not fully reproduce observed changes in the porewater profile, but the inclusion of plant or microbial responses to CO\n <sub>2<\/sub>\n and temperature manipulations was more accurate in representing porewater concentrations. This indicates the importance of characterizing tightly coupled vegetation‐subsurface processes for developing predictive understanding and the need for measurement of plant‐soil interactions on the same time scale to understand how hotspots or moments are generated.\n <\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Geophysical Research. Biogeosciences","journal_issue":"3","journal_volume":"129","format":"Medium: X","authors":["O’Meara, T. A. [Oak Ridge National Laboratory Oak Ridge TN USA, Smithsonian Environmental Research Center Edgewater MD USA] (ORCID:0000000181329761)","Yuan, F. [Oak Ridge National Laboratory Oak Ridge TN USA] (ORCID:0000000309105231)","Sulman, B. N. [Oak Ridge National Laboratory Oak Ridge TN USA] (ORCID:0000000232656691)","Noyce, G. L. [Smithsonian Environmental Research Center Edgewater MD USA]","Rich, R. [Smithsonian Environmental Research Center Edgewater MD USA] (ORCID:0000000204617388)","Thornton, P. E. [Oak Ridge National Laboratory Oak Ridge TN USA] (ORCID:0000000247595158)","Megonigal, J. P. [Smithsonian Environmental Research Center Edgewater MD USA] (ORCID:0000000220187883)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"DE‐AC05‐76RL01830; DE‐SC0014413; DE‐SC0019110; DE‐SC0021112; DE‐SC0021131","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2169-8953","other_identifiers":["Journal ID: ISSN 2169-8953; e2023JG007633"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320274"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320274"}]}, {"osti_id":"2320319","title":"Diffusive and ballistic transport in thin InSb nanowire devices using a few-layer-graphene-AlO\n <sub>x<\/sub>\n gate","doi":"10.1088/2633-4356/ad2d6b","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Materials for Quantum Technology Journal Volume: 4 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Quantum devices based on InSb nanowires (NWs) are a prime candidate system for realizing and exploring topologically-protected quantum states and for electrically-controlled spin-based qubits. The influence of disorder on achieving reliable quantum transport regimes has been studied theoretically, highlighting the importance of optimizing both growth and nanofabrication. In this work, we consider both aspects. We developed InSb NW with thin diameters, as well as a novel gating approach, involving few-layer graphene and atomic layer deposition-grown AlO\n <italic>\n <sub>x<\/sub>\n <\/italic>\n . Low-temperature electronic transport measurements of these devices reveal conductance plateaus and Fabry–Pérot interference, evidencing phase-coherent transport in the regime of few quantum modes. The approaches developed in this work could help mitigate the role of material and fabrication-induced disorder in semiconductor-based quantum devices.\n <\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"IOP Publishing","journal_name":"Materials for Quantum Technology","journal_issue":"1","journal_volume":"4","format":"Medium: X; Size: Article No. 015101","authors":["Shani, Lior (ORCID:0000000315040534)","Lueb, Pim","Menning, Gavin","Gupta, Mohit (ORCID:0000000302893343)","Riggert, Colin","Littmann, Tyler","Hackbarth, Frey","Rossi, Marco","Jung, Jason","Badawy, Ghada","Verheijen, Marcel A. (ORCID:0000000287497755)","Crowell, Paul A.","Bakkers, Erik P. A. M.","Pribiag, Vlad S. (ORCID:0000000317846347)"],"article_type":"Published Article","doe_contract_number":"SC0019274","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2633-4356","other_identifiers":["Journal ID: ISSN 2633-4356"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320319"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320319"}]}, {"osti_id":"2320290","title":"Integrating NDVI-Based Within-Wetland Vegetation Classification in a Land Surface Model Improves Methane Emission Estimations","doi":"10.3390/rs16060946","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Remote Sensing Journal Volume: 16 Journal Issue: 6","description":"<p>Earth system models (ESMs) are a common tool for estimating local and global greenhouse gas emissions under current and projected future conditions. Efforts are underway to expand the representation of wetlands in the Energy Exascale Earth System Model (E3SM) Land Model (ELM) by resolving the simultaneous contributions to greenhouse gas fluxes from multiple, different, sub-grid-scale patch-types, representing different eco-hydrological patches within a wetland. However, for this effort to be effective, it should be coupled with the detection and mapping of within-wetland eco-hydrological patches in real-world wetlands, providing models with corresponding information about vegetation cover. In this short communication, we describe the application of a recently developed NDVI-based method for within-wetland vegetation classification on a coastal wetland in Louisiana and the use of the resulting yearly vegetation cover as input for ELM simulations. Processed Harmonized Landsat and Sentinel-2 (HLS) datasets were used to drive the sub-grid composition of simulated wetland vegetation each year, thus tracking the spatial heterogeneity of wetlands at sufficient spatial and temporal resolutions and providing necessary input for improving the estimation of methane emissions from wetlands. Our results show that including NDVI-based classification in an ELM reduced the uncertainty in predicted methane flux by decreasing the model’s RMSE when compared to Eddy Covariance measurements, while a minimal bias was introduced due to the resampling technique involved in processing HLS data. Our study shows promising results in integrating the remote sensing-based classification of within-wetland vegetation cover into earth system models, while improving their performances toward more accurate predictions of important greenhouse gas emissions.<\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"MDPI AG","journal_name":"Remote Sensing","journal_issue":"6","journal_volume":"16","format":"Medium: X; Size: Article No. 946","authors":["Yazbeck, Theresia (ORCID:0000000260730617)","Bohrer, Gil (ORCID:0000000292099540)","Shchehlov, Oleksandr (ORCID:0000000157026285)","Ward, Eric (ORCID:0000000250475464)","Bordelon, Robert","Villa, Jorge A. (ORCID:0000000311309401)","Ju, Yang (ORCID:0000000170918456)"],"article_type":"Published Article","doe_contract_number":"SC0023084; SC0021067","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2072-4292","other_identifiers":["Journal ID: ISSN 2072-4292; RSBSBZ; PII: rs16060946"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320290"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320290"}]}, {"osti_id":"2323384","title":"Collective neural network behavior in a dynamically driven disordered system of superconducting loops","doi":"10.1073/pnas.2314995121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 12","description":"<p>Collective properties of complex systems composed of many interacting components such as neurons in our brain can be modeled by artificial networks based on disordered systems. We show that a disordered neural network of superconducting loops with Josephson junctions can exhibit computational properties like categorization and associative memory in the time evolution of its state in response to information from external excitations. Superconducting loops can trap multiples of fluxons in many discrete memory configurations defined by the local free energy minima in the configuration space of all possible states. A memory state can be updated by exciting the Josephson junctions to fire or allow the movement of fluxons through the network as the current through them surpasses their critical current thresholds. Simulations performed with a lumped element circuit model of a 4-loop network show that information written through excitations is translated into stable states of trapped flux and their time evolution. Experimental implementation on a high-Tc superconductor YBCO-based 4-loop network shows dynamically stable flux flow in each pathway characterized by the correlations between junction firing statistics. Neural network behavior is observed as energy barriers separating state categories in simulations in response to multiple excitations, and experimentally as junction responses characterizing different flux flow patterns in the network. The state categories that produce these patterns have different temporal stabilities relative to each other and the excitations. This provides strong evidence for time-dependent (short-to-long-term) memories, that are dependent on the geometrical and junction parameters of the loops, as described with a network model.<\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"12","journal_volume":"121","format":"Medium: X","authors":["Goteti, Uday S. [Department of Physics, University of California, San Diego, CA 92093] (ORCID:000000029430451X)","Cybart, Shane A. [Department of Electrical and Computer Engineering, University of California, Riverside, CA 92521] (ORCID:0000000198906537)","Dynes, Robert C. [Department of Physics, University of California, San Diego, CA 92093] (ORCID:0000000167409677)"],"article_type":"Published Article","doe_contract_number":"SC0019273; NA0004106","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2314995121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323384"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323384"}]}, {"osti_id":"2320295","title":"Investigating the role of edge neutrals in exciting tearing mode activity and achieving flat temperature profiles in LTX-β","doi":"10.1088/1741-4326/ad2ca7","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion Journal Volume: 64 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>\n We present observations, numerical simulations, and analysis from experiments in the Lithium Tokamak Experiment-Beta (LTX-\n <italic>β<\/italic>\n ) in which the electron temperature profile (\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n (\n <italic>r<\/italic>\n )) shifts from flat to peaked and a tearing mode is also destabilized when the average density (\n <italic>\n n\n <sub>e<\/sub>\n <sup>ave<\/sup>\n <\/italic>\n ) exceeds ∼10\n <sup>19<\/sup>\n m\n <sup>−3<\/sup>\n . Flat\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n (\n <italic>r<\/italic>\n ) is obtained routinely in LTX-\n <italic>β<\/italic>\n , with a lithium coated, low-recycling first wall, once the external fueling is stopped and density decays [Boyle\n <italic>et al<\/italic>\n 2023\n <italic>Nucl. Fusion<\/italic>\n  \n <bold>63<\/bold>\n 056020]. In the present experiment, flat\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n profiles can be sustained while maintaining constant\n <italic>\n n\n <sub>e<\/sub>\n <sup>ave<\/sup>\n <\/italic>\n below a line averaged density threshold (\n <italic>\n n\n <sub>e<\/sub>\n <sup>ave<\/sup>\n <sub>th<\/sub>\n <\/italic>\n ) of ∼10\n <sup>19<\/sup>\n m\n <sup>−3<\/sup>\n . Above\n <italic>\n n\n <sub>e<\/sub>\n <sup>ave<\/sup>\n <sub>th<\/sub>\n , T\n <sub>e<\/sub>\n <\/italic>\n (\n <italic>r<\/italic>\n ) shifts from flat to peaked and a tearing mode is destabilized. Due to low recycling, the achieved\n <italic>\n n\n <sub>e<\/sub>\n <sup>ave<\/sup>\n <\/italic>\n can be controlled precisely by external fueling and hence, a certain threshold of the edge neutral inventory from the external fueling is experimentally manifested through\n <italic>\n n\n <sub>e<\/sub>\n <sup>ave<\/sup>\n <sub>th<\/sub>\n <\/italic>\n . The goal of the present work is to investigate the role of edge neutrals in determining\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n (\n <italic>r<\/italic>\n ) and MHD stability in the unique low-recycling regime of LTX-\n <italic>β<\/italic>\n . Our hypothesis is that the peaking of\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n (\n <italic>r<\/italic>\n ) beyond\n <italic>\n n\n <sub>e<\/sub>\n <sup>ave<\/sup>\n <sub>th<\/sub>\n <\/italic>\n is due ultimately to the edge cooling by the cold neutrals beyond a critical fueling flux. At lower fueling flux, flat\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n (\n <italic>r<\/italic>\n ) results in broader pressure profile and lower resistivity, which in turn stabilizes the tearing mode. This hypothesis is supported by edge neutral density estimation by DEGAS 2 code. Mode analysis by singular value decomposition confirms the tearing mode structure to be\n <italic>m<\/italic>\n /\n <italic>n<\/italic>\n = 2/1 (\n <italic>m<\/italic>\n and\n <italic>n<\/italic>\n being the poloidal and toroidal mode numbers). Linear tearing stability analysis with M3D-C1 predicts that plasmas with\n <italic>\n n\n <sub>e<\/sub>\n <sup>ave<\/sup>\n <\/italic>\n > 10\n <sup>19<\/sup>\n are highly susceptible to a\n <italic>n<\/italic>\n = 1 tearing mode. ORBIT simulations, however, confirmed that the tearing modes do not contribute to the loss of fast ions from neutral beam injection. This study shows for the first time that the neutral inventory at the edge could be one of the deciding factors for the achievability of the unique operation regime of flat\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n (\n <italic>r<\/italic>\n ) and the excitation of tearing activity that could be disruptive for the plasmas.\n <\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","journal_issue":"4","journal_volume":"64","format":"Medium: X; Size: Article No. 046026","authors":["Banerjee, Santanu (ORCID:0000000308598855)","Boyle, D. P. (ORCID:0000000180918169)","Maan, A. (ORCID:0000000174742785)","Ferraro, N. (ORCID:0000000263487827)","Wilkie, G.","Majeski, R. (ORCID:0000000194370958)","Podesta, M. (ORCID:0000000349750585)","Bell, R. (ORCID:000000019544498X)","Hansen, C. (ORCID:0000000169285815)","Capecchi, W. (ORCID:0000000203800180)","Elliott, D. (ORCID:0000000345350381)"],"article_type":"Published Article","doe_contract_number":"AC02-09CH11466","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320295"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320295"}]}, {"osti_id":"2322591","title":"Long-term Evolution of Relativistic Unmagnetized Collisionless Shocks","doi":"10.3847/2041-8213/ad2c8c","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal. Letters Journal Volume: 963 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n We study a relativistic collisionless electron–positron shock propagating into an unmagnetized ambient medium using 2D particle-in-cell simulations of unprecedented duration and size. The shock generates intermittent magnetic structures of increasingly larger size as the simulation progresses. Toward the end of our simulation, at around 26,000 plasma times, the magnetic coherence scale approaches\n <italic>λ<\/italic>\n ∼ 100 plasma skin depths, both ahead and behind the shock front. We anticipate a continued growth of\n <italic>λ<\/italic>\n beyond the time span of our simulation, as long as the shock accelerates particles to increasingly higher energies. The post-shock field is concentrated in localized patches, which maintain a local magnetic energy fraction\n <italic>ε<\/italic>\n <sub>\n <italic>B<\/italic>\n <\/sub>\n ∼ 0.1. Particles randomly sampling the downstream fields spend most of their time in low field regions (\n <italic>ε<\/italic>\n <sub>\n <italic>B<\/italic>\n <\/sub>\n ≪ 0.1) but emit a large fraction of the synchrotron power in the localized patches with strong fields (\n <italic>ε<\/italic>\n <sub>\n <italic>B<\/italic>\n <\/sub>\n ∼ 0.1). Our results have important implications for models of gamma-ray burst afterglows.\n <\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal. Letters","journal_issue":"2","journal_volume":"963","format":"Medium: X; Size: Article No. L44","authors":["Grošelj, Daniel (ORCID:0000000254083046)","Sironi, Lorenzo (ORCID:0000000212272754)","Spitkovsky, Anatoly (ORCID:0000000191799054)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-8205","other_identifiers":["Journal ID: ISSN 2041-8205"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322591"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322591"}]}, {"osti_id":"2319260","title":"Coherent states of the Laguerre–Gauss modes","doi":"10.1364/OL.511439","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optics Letters Journal Volume: 49 Journal Issue: 6","description":"<p>Large quantum photonic systems hold promise for surpassing classical computational limits, yet their state preparation remains a challenge. We propose an alternative approach to study multiparticle dynamics by mapping the excitation mode of these systems to physical properties of the Laguerre–Gauss modes. We construct coherent states establishing a direct link between excitation number dynamics and the evolution of the Laguerre–Gauss modes. This highlights the photon transverse spatial degree of freedom as a versatile platform for testing the fundamental aspects of quantum multiparticle systems.<\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"Optical Society of America","journal_name":"Optics Letters","journal_issue":"6","journal_volume":"49","format":"Medium: X; Size: Article No. 1489","authors":["Morales Rodríguez, M. P.","Magaña-Loaiza, O. S.","Perez-Garcia, B. (ORCID:0000000255016291)","Nieto Calzada, L. M. (ORCID:0000000228492647)","Marroquín Gutiérrrez, F.","Rodríguez-Lara, B. M. (ORCID:0000000270140450)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"SC0023694","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0146-9592","other_identifiers":["Journal ID: ISSN 0146-9592; OPLEDP"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319260"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319260"}]}, {"osti_id":"2320271","title":"In the nuclear explosion monitoring context, what is an anomaly?","doi":"10.1007/s10967-024-09411-y","product_type":"Journal Article","language":"English","country_publication":"Hungary","relation":"Journal Name: Journal of Radioanalytical and Nuclear Chemistry","description":"<title>Abstract<\/title>\n <p>In the early years of nuclear explosion monitoring, experts used downwind detections with meaningful ratios of radioactive species to identify an explosion. Today’s reality is sparse networks of radionuclide monitoring stations looking for weak signals. Analysts need to discriminate between industrial background radioactivity and nuclear explosion signals, even using the detection of one isotope. Aerosol and xenon measurements potentially related to nuclear tests in 2006 and 2013 announced by the Democratic People’s Republic of Korea and from worldwide civilian background radioactivity are considered when defining radionuclide detection anomalies to objectively guide the use of limited analyst resources and reduce the possibility of not detecting nuclear explosions.<\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Journal of Radioanalytical and Nuclear Chemistry","format":"Medium: X","authors":["Miley, Harry S.","Eslinger, Paul W.","Bowyer, Ted W.","Burnett, Jonathan L.","Cooper, Matthew W.","Foxe, Michael P.","Haas, Derek A.","Hayes, James C.","Kalinowski, Martin B.","Lowrey, Justin D.","McIntyre, Justin I.","Saey, Paul R. J.","Schrom, Brian T.","Ungar, R. Kurt"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0236-5731","other_identifiers":["Journal ID: ISSN 0236-5731; PII: 9411"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320271"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320271"}]}, {"osti_id":"2323939","title":"Matter waves and clocks do not observe uniform gravitational fields","doi":"10.1088/1402-4896/ad340c","product_type":"Journal Article","language":"English","country_publication":"Sweden","relation":"Journal Name: Physica Scripta","description":"<title>Abstract<\/title>\n <p>In a uniform gravitational field, classical test objects fall universally. Any reference object or observer will fall in the same universal manner. Therefore, a uniform gravitational field cannot create dynamics between observers and classical test objects. The influence of a uniform gravitational field on matter waves and clocks, however, is described inconsistently throughout research and education. To illustrate, we discuss the behavior of a matter-wave interferometer and a clock redshift experiment in a uniform gravitational field. As a consistent formulation of the equivalence principle implies, a uniform gravitational field has no observable influence on these systems and is physically equivalent to the absence of gravity.<\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"IOP Publishing","journal_name":"Physica Scripta","format":"Medium: X","authors":["Asenbaum, Peter (ORCID:0000000231262164)","Overstreet, Chris","Kasevich, Mark A."],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0031-8949","other_identifiers":["Journal ID: ISSN 0031-8949"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323939"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323939"}]}, {"osti_id":"2320314","title":"Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential","doi":"10.1038/s41557-023-01427-3","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Chemistry","description":"<title>Abstract<\/title>\n <p>Atomistic simulation has a broad range of applications from drug design to materials discovery. Machine learning interatomic potentials (MLIPs) have become an efficient alternative to computationally expensive ab initio simulations. For this reason, chemistry and materials science would greatly benefit from a general reactive MLIP, that is, an MLIP that is applicable to a broad range of reactive chemistry without the need for refitting. Here we develop a general reactive MLIP (ANI-1xnr) through automated sampling of condensed-phase reactions. ANI-1xnr is then applied to study five distinct systems: carbon solid-phase nucleation, graphene ring formation from acetylene, biofuel additives, combustion of methane and the spontaneous formation of glycine from early earth small molecules. In all studies, ANI-1xnr closely matches experiment (when available) and/or previous studies using traditional model chemistry methods. As such, ANI-1xnr proves to be a highly general reactive MLIP for C, H, N and O elements in the condensed phase, enabling high-throughput in silico reactive chemistry experimentation.<\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Chemistry","format":"Medium: X","authors":["Zhang, Shuhao","Makoś, Małgorzata Z. (ORCID:0000000260155608)","Jadrich, Ryan B.","Kraka, Elfi","Barros, Kipton","Nebgen, Benjamin T. (ORCID:0000000153103263)","Tretiak, Sergei (ORCID:0000000155473647)","Isayev, Olexandr (ORCID:0000000175818497)","Lubbers, Nicholas (ORCID:0000000290019973)","Messerly, Richard A. (ORCID:0000000313214246)","Smith, Justin S. (ORCID:0000000173147896)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1755-4330","other_identifiers":["Journal ID: ISSN 1755-4330; PII: 1427"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320314"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320314"}]}, {"osti_id":"2310992","title":"Surface thermodynamics of yttrium titanate pyrochlore nanomaterials","doi":"10.1039/D3NR05605H","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nanoscale Journal Volume: 16 Journal Issue: 10","description":"<p>\n Critical particle size can be determined with known surface energy. The surface enthalpy of yttrium titanate pyrochlores was determined to be 4.07 ± 0.32 J m\n <sup>−2<\/sup>\n  by calorimetry, and the lower limit of critical particle size for this is around 5.0 nm.\n <\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Nanoscale","journal_issue":"10","journal_volume":"16","format":"Medium: X; Size: p. 5421-5432","authors":["Reece, Margaret E. [Department of Chemistry, Washington State University, Pullman, WA 99164, USA, Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA]","Li, Jiahong [Department of Chemistry, Washington State University, Pullman, WA 99164, USA]","Strzelecki, Andrew C. [Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA, The School of Mechanical and Materials Engineering, Washington State University, Pullman, WA 99164, USA]","Wen, Juan [School of Materials and Energy, Lanzhou University, Lanzhou, Gansu 730000, China] (ORCID:0000000300495333)","Zhang, Qiang [Department of Chemistry, Washington State University, Pullman, WA 99164, USA] (ORCID:0000000173279047)","Guo, Xiaofeng [Department of Chemistry, Washington State University, Pullman, WA 99164, USA, The School of Mechanical and Materials Engineering, Washington State University, Pullman, WA 99164, USA] (ORCID:000000033129493X)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"AC02-06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2040-3364","other_identifiers":["Journal ID: ISSN 2040-3364; NANOHL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310992"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310992"}]}, {"osti_id":"2320302","title":"A chemo-mechanical model for describing sorption hysteresis in a glassy polyurethane","doi":"10.1038/s41598-024-56069-3","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Scientific Reports Journal Volume: 14 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Hysteretic sorption and desorption of water is observed from 0 to 95% relative humidity and 298–333 K on a glassy polyurethane foam. It is postulated that sorption-induced swelling of the glassy polyurethane increases the concentration of accessible hydrogen-bonding adsorption sites for water. The accessibility of sites is kinetically controlled due to the restricted thermal motions of chains in the glassy polymer, causing a difference in accessible site concentrations during sorption and desorption. This discrepancy leads to hysteresis in the sorbed concentrations of water. A coupled chemo-mechanical model relating volumetric strain, adsorption site concentration, and sorbed water concentration is employed to describe water sorption hysteresis in the glassy polyurethane. This model not only describes the final mass uptake for each relative humidity step, but also captures the dynamics of water uptake, which exhibit diffusion and relaxation rate-controlled regimes.<\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: X","authors":["Foley, Brandon L.","Matt, Sarah M.","Castonguay, Stephen T.","Sun, Yunwei","Roy, Pratanu","Glascoe, Elizabeth A.","Sharma, Hom N."],"article_type":"Published Article","doe_contract_number":"AC52-07NA27344","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; 5640; PII: 56069"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320302"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320302"}]}, {"osti_id":"2320316","title":"Diamond surface functionalization via visible light–driven C–H activation for nanoscale quantum sensing","doi":"10.1073/pnas.2316032121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 11","description":"<p>Nitrogen-vacancy (NV) centers in diamond are a promising platform for nanoscale NMR sensing. Despite significant progress toward using NV centers to detect and localize nuclear spins down to the single spin level, NV-based spectroscopy of individual, intact, arbitrary target molecules remains elusive. Such sensing requires that target molecules are immobilized within nanometers of NV centers with long spin coherence. The inert nature of diamond typically requires harsh functionalization techniques such as thermal annealing or plasma processing, limiting the scope of functional groups that can be attached to the surface. Solution-phase chemical methods can be readily generalized to install diverse functional groups, but they have not been widely explored for single-crystal diamond surfaces. Moreover, realizing shallow NV centers with long spin coherence times requires highly ordered single-crystal surfaces, and solution-phase functionalization has not yet been shown with such demanding conditions. In this work, we report a versatile strategy to directly functionalize C–H bonds on single-crystal diamond surfaces under ambient conditions using visible light, forming C–F, C–Cl, C–S, and C–N bonds at the surface. This method is compatible with NV centers within 10 nm of the surface with spin coherence times comparable to the state of the art. As a proof-of-principle demonstration, we use shallow ensembles of NV centers to detect nuclear spins from surface-bound functional groups. Our approach to surface functionalization opens the door to deploying NV centers as a tool for chemical sensing and single-molecule spectroscopy.<\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"11","journal_volume":"121","format":"Medium: X","authors":["Rodgers, Lila V. H. [Department of Electrical and Computer Engineering, Princeton University, Princeton, NJ 08540] (ORCID:0000000321742671)","Nguyen, Suong T. [Department of Chemistry, Princeton University, Princeton, NJ 08540]","Cox, James H. [Department of Chemistry, Princeton University, Princeton, NJ 08540]","Zervas, Kalliope [Department of Electrical and Computer Engineering, Princeton University, Princeton, NJ 08540] (ORCID:0009000224781289)","Yuan, Zhiyang [Department of Electrical and Computer Engineering, Princeton University, Princeton, NJ 08540] (ORCID:0000000220970309)","Sangtawesin, Sorawis [School of Physics, Suranaree University of Technology, Nakhon Ratchasima 30000, Thailand, Center of Excellence in Advanced Functional Materials, Suranaree University of Technology, Nakhon Ratchasima 30000, Thailand]","Stacey, Alastair [School of Physics, University of Melbourne, Parkville, VIC 3010, Australia, School of Science, RMIT University, Melbourne, VIC 3000, Australia]","Jaye, Cherno [Materials Measurement Science Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899]","Weiland, Conan [Materials Measurement Science Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899]","Pershin, Anton [HUN-REN Wigner Research Centre for Physics, Institute for Solid State Physics and Optics, Budapest H-1525, Hungary, MTA-WFK Lendület “Momentum” Semiconductor Nanostructures Research Group, Budapest H-1525, Hungary] (ORCID:0000000224146405)","Gali, Adam [HUN-REN Wigner Research Centre for Physics, Institute for Solid State Physics and Optics, Budapest H-1525, Hungary, MTA-WFK Lendület “Momentum” Semiconductor Nanostructures Research Group, Budapest H-1525, Hungary, Department of Atomic Physics, Institute of Physics, Budapest University of Technology and Economics, Budapest H-1111, Hungary]","Thomsen, Lars [Australian Synchrotron, Australian Nuclear Science and Technology Organisation, Clayton, VIC 3168, Australia]","Meynell, Simon A. [Physics Department, University of California, Santa Barbara, CA 93106]","Hughes, Lillian B. [Materials Department, University of California, Santa Barbara, CA 93106] (ORCID:0000000210201661)","Jayich, Ania C. Bleszynski [Physics Department, University of California, Santa Barbara, CA 93106]","Gui, Xin [Department of Chemistry, Princeton University, Princeton, NJ 08540]","Cava, Robert J. [Department of Chemistry, Princeton University, Princeton, NJ 08540]","Knowles, Robert R. [Department of Chemistry, Princeton University, Princeton, NJ 08540] (ORCID:0000000310444900)","de Leon, Nathalie P. [Department of Electrical and Computer Engineering, Princeton University, Princeton, NJ 08540] (ORCID:0000000313241412)"],"article_type":"Published Article","doe_contract_number":"SC0018978; SC0021314CMQT; SC0019241","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2316032121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320316"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320316"}]}, {"osti_id":"2320303","title":"On the performance of composite schemes in determining equilibrium molecular structures","doi":"10.1002/jcc.27312","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Computational Chemistry","description":"<title>Abstract<\/title>\n <p>Determination of equilibrium molecular structures is an essential ingredient in predicting spectroscopic parameters that help in identifying molecular carriers of microwave transitions. Here, the performance of two different ab initio composite approaches for obtaining equilibrium structures, “energy scheme” and “geometry scheme,” is explored and compared to semi‐experimental equilibrium structures. This study is performed for a set of 11 molecules which includes diatomics, linear triatomics, and a few non‐linear molecules. The ab initio calculations were performed using three tiers of composite chemical recipes. The current results show that as the overall rigor of calculation is increased, the semi‐experimental and the ab initio numbers agree to within 0.0003 Å for all molecules in the test set. The composite approach based on correcting the potential energy surface (energy scheme) and the one based on correcting the geometry directly (geometry scheme) show excellent agreement with each other. This work represents a step toward development of efficient and highly accurate procedures for computing ab initio equilibrium structures.<\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Journal of Computational Chemistry","format":"Medium: X","authors":["Sahoo, Nitai P. [Department of Chemistry University of Florida Gainesvillle Florida USA] (ORCID:000000022927430X)","Franke, Peter R. [Department of Chemistry University of Florida Gainesvillle Florida USA]","Stanton, John F. [Department of Chemistry University of Florida Gainesvillle Florida USA]"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"DE‐SC0018164","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0192-8651","other_identifiers":["Journal ID: ISSN 0192-8651; jcc.27312"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320303"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320303"}]}, {"osti_id":"2309781","title":"Kinetic trapping of nanoparticles by solvent-induced interactions","doi":"10.1039/D3NR06469G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nanoscale Journal Volume: 16 Journal Issue: 10","description":"<p>Solvent-induced interactions produce the kinetic trapping of nanoparticles at nanoscale particle–wall separations.<\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Nanoscale","journal_issue":"10","journal_volume":"16","format":"Medium: X; Size: p. 5374-5382","authors":["Singletary, Troy [Mechanical Engineering Department, Stony Brook University, Stony Brook, NY 11794, USA]","Drazer, German [Mechanical and Aerospace Engineering Department, Rutgers University, NJ 08854, USA] (ORCID:0000000338607329)","Marschilok, Amy C. [Department of Chemistry, Stony Brook University, Stony Brook, NY 11794, USA, Interdisciplinary Science Department, Brookhaven National Laboratory, Upton, NY 11973, USA, Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, NY 11794, USA, The Institute of Energy: Sustainability, Environment, and Equity, Stony Brook University, NY 11794, USA] (ORCID:0000000191740474)","Takeuchi, Esther S. [Department of Chemistry, Stony Brook University, Stony Brook, NY 11794, USA, Interdisciplinary Science Department, Brookhaven National Laboratory, Upton, NY 11973, USA, Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, NY 11794, USA, The Institute of Energy: Sustainability, Environment, and Equity, Stony Brook University, NY 11794, USA] (ORCID:0000000185181047)","Takeuchi, Kenneth J. [Department of Chemistry, Stony Brook University, Stony Brook, NY 11794, USA, Interdisciplinary Science Department, Brookhaven National Laboratory, Upton, NY 11973, USA, Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, NY 11794, USA, The Institute of Energy: Sustainability, Environment, and Equity, Stony Brook University, NY 11794, USA] (ORCID:000000018129444X)","Colosqui, Carlos E. [Mechanical Engineering Department, Stony Brook University, Stony Brook, NY 11794, USA, The Institute of Energy: Sustainability, Environment, and Equity, Stony Brook University, NY 11794, USA] (ORCID:000000027215512X)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2040-3364","other_identifiers":["Journal ID: ISSN 2040-3364; NANOHL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309781"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309781"}]}, {"osti_id":"2322388","title":"Reducing Pb and Cl Mobility in Waste-to-Energy Fly Ashes via Chlorellestadite Formation","doi":"10.1021/acsestengg.3c00597","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS ES&T Engineering","description":"Sustainably sourced development minerals are vital to meeting the demand for low-carbon construction materials. A potential waste material that can be a low-carbon construction material for cementitious systems is waste-to-energy fly ash (WTE ash), a by-product of waste incineration. WTE ash contains chloride-bearing species and heavy metals, which can promote steel reinforcement corrosion and present long-term leaching risks. Here, we present a new multi-step ash treatment protocol involving dissolution and heating to transform the non-readily removable chlorides in WTE ash to Chlorellestadite (Ca<sub>10<\/sub>(SiO<sub>4<\/sub>)<sub>3<\/sub>(SO<sub>4<\/sub>)<sub>3<\/sub>Cl<sub>2<\/sub>). Our results suggest that this transformation significantly reduces chloride release from WTE ash in an alkaline cement-like environment by over two orders of magnitude, from 1500 mg/l to less than 10 mg/l. This transformation also significantly reduces Pb mobility after treatment (from > 5 mg/l to < 0.5 mg/l), likely caused by the crystallo-chemical incorporation of Pb in Chlorellestadite. In contrast to the existing ash treatment methods, the proposed ash treatment protocol minimizes heavy metals volatilization while simultaneously reducing Pb mobility and chloride release through Chlorellestadite formation. Furthermore, these findings overcome limitations preventing the commercial use of WTE ash and thus opening up pathways towards a circular economy.","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"ACS ES&T Engineering","format":"Medium: ED","authors":["Kumar, Vikram [University of Illinois Urbana-Champaign, IL (United States)] (ORCID:0000000151864210)","Baral, Aniruddha [University of Illinois Urbana-Champaign, IL (United States)] (ORCID:0000000308105475)","Roesler, Jeffery R. [University of Illinois Urbana-Champaign, IL (United States)]","Garg, Nishant [University of Illinois Urbana-Champaign, IL (United States)] (ORCID:0000000192928364)"],"subjects":["36 MATERIALS SCIENCE","42 ENGINEERING","54 ENVIRONMENTAL SCIENCES","Incineration","Municipal solid waste","Chloride","Lead","Cement","Anions","Dissolution","Hydration","Materials","Reaction products"],"article_type":"Accepted Manuscript","doe_contract_number":"AR0001401","orgs_sponsor":[{"name":"USDOE Advanced Research Projects Agency - Energy (ARPA-E)"}],"sponsor_orgs":["USDOE Advanced Research Projects Agency - Energy (ARPA-E)"],"orgs_research":[{"name":"University of Illinois Urbana-Champaign, IL (United States)"}],"research_orgs":["University of Illinois Urbana-Champaign, IL (United States)"],"journal_issn":"ISSN 2690-0645","other_identifiers":["Journal ID: ISSN 2690-0645"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322388"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322388"}]}, {"osti_id":"2320293","title":"An Engineered Laccase from Fomitiporia mediterranea Accelerates Lignocellulose Degradation","report_number":"SAND-2024-02798J","doi":"10.3390/biom14030324","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Biomolecules Journal Volume: 14 Journal Issue: 3","description":"<p>Laccases from white-rot fungi catalyze lignin depolymerization, a critical first step to upgrading lignin to valuable biodiesel fuels and chemicals. In this study, a wildtype laccase from the basidiomycete Fomitiporia mediterranea (Fom_lac) and a variant engineered to have a carbohydrate-binding module (Fom_CBM) were studied for their ability to catalyze cleavage of β-O-4′ ether and C–C bonds in phenolic and non-phenolic lignin dimers using a nanostructure-initiator mass spectrometry-based assay. Fom_lac and Fom_CBM catalyze β-O-4′ ether and C–C bond breaking, with higher activity under acidic conditions (pH < 6). The potential of Fom_lac and Fom_CBM to enhance saccharification yields from untreated and ionic liquid pretreated pine was also investigated. Adding Fom_CBM to mixtures of cellulases and hemicellulases improved sugar yields by 140% on untreated pine and 32% on cholinium lysinate pretreated pine when compared to the inclusion of Fom_lac to the same mixtures. Adding either Fom_lac or Fom_CBM to mixtures of cellulases and hemicellulases effectively accelerates enzymatic hydrolysis, demonstrating its potential applications for lignocellulose valorization. We postulate that additional increases in sugar yields for the Fom_CBM enzyme mixtures were due to Fom_CBM being brought more proximal to lignin through binding to either cellulose or lignin itself.<\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"MDPI AG","journal_name":"Biomolecules","journal_issue":"3","journal_volume":"14","format":"Medium: X; Size: Article No. 324","authors":["Pham, Le Thanh Mai","Deng, Kai","Choudhary, Hemant (ORCID:0000000328473080)","Northen, Trent R.","Singer, Steven W.","Adams, Paul D.","Simmons, Blake A. (ORCID:0000000213321810)","Sale, Kenneth L. (ORCID:0000000242698940)"],"subjects":["lignin","laccase","nanostructure-initiator mass spectrometry (NIMS)","Komagataella pastoris expression","Fomitiporia mediterranea"],"article_type":"Published Article","doe_contract_number":"NA0003525; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-CA), Livermore, CA (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Sandia National Lab. (SNL-CA), Livermore, CA (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 2218-273X","other_identifiers":["Journal ID: ISSN 2218-273X; BIOMHC; PII: biom14030324"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320293"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320293"}]}, {"osti_id":"2320301","title":"The interplay of machine learning-based resonant anomaly detection methods","doi":"10.1140/epjc/s10052-024-12607-x","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: European Physical Journal. C, Particles and Fields (Online) Journal Volume: 84 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Machine learning-based anomaly detection (AD) methods are promising tools for extending the coverage of searches for physics beyond the Standard Model (BSM). One class of AD methods that has received significant attention is resonant anomaly detection, where the BSM physics is assumed to be localized in at least one known variable. While there have been many methods proposed to identify such a BSM signal that make use of simulated or detected data in different ways, there has not yet been a study of the methods’ complementarity. To this end, we address two questions. First, in the absence of any signal, do different methods pick the same events as signal-like? If not, then we can significantly reduce the false-positive rate by comparing different methods on the same dataset. Second, if there is a signal, are different methods fully correlated? Even if their maximum performance is the same, since we do not know how much signal is present, it may be beneficial to combine approaches. Using the Large Hadron Collider (LHC) Olympics dataset, we provide quantitative answers to these questions. We find that there are significant gains possible by combining multiple methods, which will strengthen the search program at the LHC and beyond.<\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"European Physical Journal. C, Particles and Fields (Online)","journal_issue":"3","journal_volume":"84","format":"Medium: X","authors":["Golling, Tobias","Kasieczka, Gregor","Krause, Claudius","Mastandrea, Radha","Nachman, Benjamin","Raine, John Andrew","Sengupta, Debajyoti","Shih, David","Sommerhalder, Manuel"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231; DOE-SC0010008","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1434-6052","other_identifiers":["Journal ID: ISSN 1434-6052; 241; PII: 12607"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320301"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320301"}]}, {"osti_id":"2274857","title":"Electrochemical trends of a hybrid platinum and metal–nitrogen–carbon catalyst library for the oxygen reduction reaction","doi":"10.1039/D3EY00235G","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: EES Catalysis Journal Volume: 2 Journal Issue: 2","description":"<p>Pt nanoparticles supported on a library of 3d, 4d, 5d and f metal M–N–C catalysts for the ORR.<\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"EES Catalysis","journal_issue":"2","journal_volume":"2","format":"Medium: X; Size: p. 624-637","authors":["Ly, Alvin [Department of Materials Science and Engineering, National Fuel Cell Research Center (NFCRC), University of California-Irvine, Irvine, California 92697, USA]","Murphy, Eamonn [Department of Chemical and Biomolecular Engineering, National Fuel Cell Research Center (NFCRC), University of California-Irvine, Irvine, California 92697, USA] (ORCID:0000000346750846)","Wang, Hanson [Department of Chemical and Biomolecular Engineering, National Fuel Cell Research Center (NFCRC), University of California-Irvine, Irvine, California 92697, USA]","Huang, Ying [Department of Materials Science and Engineering, National Fuel Cell Research Center (NFCRC), University of California-Irvine, Irvine, California 92697, USA] (ORCID:0000000283566194)","Ferro, Giovanni [Department of Chemical and Biomolecular Engineering, National Fuel Cell Research Center (NFCRC), University of California-Irvine, Irvine, California 92697, USA]","Guo, Shengyuan [Department of Chemical and Biomolecular Engineering, National Fuel Cell Research Center (NFCRC), University of California-Irvine, Irvine, California 92697, USA] (ORCID:0000000234579554)","Asset, Tristan [Institute of Chemistry and Processes for Energy, Environment and Health (ICPEES), UMR 7515 CNRS-Université de Strasbourg, 25 rue Becquerel, Strasbourg Cedex 02 67087, France]","Liu, Yuanchao [Department of Chemical and Biomolecular Engineering, National Fuel Cell Research Center (NFCRC), University of California-Irvine, Irvine, California 92697, USA]","Zenyuk, Iryna V. [Department of Materials Science and Engineering, National Fuel Cell Research Center (NFCRC), University of California-Irvine, Irvine, California 92697, USA, Department of Chemical and Biomolecular Engineering, National Fuel Cell Research Center (NFCRC), University of California-Irvine, Irvine, California 92697, USA] (ORCID:0000000216120475)","Atanassov, Plamen [Department of Materials Science and Engineering, National Fuel Cell Research Center (NFCRC), University of California-Irvine, Irvine, California 92697, USA, Department of Chemical and Biomolecular Engineering, National Fuel Cell Research Center (NFCRC), University of California-Irvine, Irvine, California 92697, USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2753-801X","other_identifiers":["Journal ID: ISSN 2753-801X; ECEACE"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2274857"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2274857"}]}, {"osti_id":"2319040","title":"Battery Energy Storage Systems: A Review of Energy Management Systems and Health Metrics","doi":"10.3390/en17051250","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Energies Journal Volume: 17 Journal Issue: 5","description":"<p>With increasing concerns about climate change, there is a transition from high-carbon-emitting fuels to green energy resources in various applications including household, commercial, transportation, and electric grid applications. Even though renewable energy resources are receiving traction for being carbon-neutral, their availability is intermittent. To address this issue to achieve extensive application, the integration of energy storage systems in conjunction with these resources is becoming a recommended practice. Additionally, in the transportation sector, the increased demand for EVs requires the development of energy storage systems that can deliver energy for rigorous driving cycles, with lithium-ion-based batteries emerging as the superior choice for energy storage due to their high power and energy densities, length of their life cycle, low self-discharge rates, and reasonable cost. As a result, battery energy storage systems (BESSs) are becoming a primary energy storage system. The high-performance demand on these BESS can have severe negative effects on their internal operations such as heating and catching on fire when operating in overcharge or undercharge states. Reduced efficiency and poor charge storage result in the battery operating at higher temperatures. To mitigate early battery degradation, battery management systems (BMSs) have been devised to enhance battery life and ensure normal operation under safe operating conditions. Some BMSs are capable of determining precise state estimations to ensure safe battery operation and reduce hazards. Precise estimation of battery health is computed by evaluating several metrics and is a central factor in effective battery management systems. In this scenario, the accurate estimation of the health indicators (HIs) of the battery becomes even more important within the framework of a BMS. This paper provides a comprehensive review and discussion of battery management systems and different health indicators for BESSs, with suitable classification based on key characteristics.<\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"MDPI AG","journal_name":"Energies","journal_issue":"5","journal_volume":"17","format":"Medium: X; Size: Article No. 1250","authors":["Nazaralizadeh, Solmaz (ORCID:0009000737004039)","Banerjee, Paramarshi (ORCID:0000000296297157)","Srivastava, Anurag K. (ORCID:0000000335188018)","Famouri, Parviz"],"article_type":"Published Article","doe_contract_number":"EE0010166","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1996-1073","other_identifiers":["Journal ID: ISSN 1996-1073; ENERGA; PII: en17051250"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319040"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319040"}]}, {"osti_id":"2309830","title":"Side chain engineering in indacenodithiophene-\n <i>co<\/i>\n -benzothiadiazole and its impact on mixed ionic–electronic transport properties","doi":"10.1039/D3TC04738E","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry C Journal Volume: 12 Journal Issue: 10","description":"<p>This well-studied polymer system does not conform to existing design criteria for imparting mixed conduction. The reasons for this anomalous behaviour are unravelled and used to outline more robust design criteria for new organic semiconductors.<\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry C","journal_issue":"10","journal_volume":"12","format":"Medium: X; Size: p. 3686-3697","authors":["Holzer, Isabelle [Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP), University of Bern, Freiestrasse 3, 3012 Bern, Switzerland] (ORCID:0000000262949823)","Lemaur, Vincent [Laboratory for the Chemistry of Novel Materials, Materials Research Institute, University of Mons, Place du Parc 20, Mons, BE-7000, Belgium] (ORCID:000000018601286X)","Wang, Meng [Department of Chemistry, Queen Mary University of London, Mile End Road, London E1 4NS, UK, i-Lab & Printable Electronics Research Center, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 398 Ruoshui Road, SEID, SIP, Suzhou, 215123, P. R. China]","Wu, Han-Yan [Laboratory of Organic Electronics, Department of Science and Technology, Linköping University, SE-601 74 Norrköping, Sweden]","Zhang, Lu [Optoelectronics Group, Cavendish Laboratory, JJ Thomson Avenue, Cambridge CB3 0HE, UK]","Marcial-Hernandez, Raymundo [Department of Chemistry, Queen Mary University of London, Mile End Road, London E1 4NS, UK] (ORCID:0000000227910886)","Gilhooly-Finn, Peter [Department of Chemistry, Queen Mary University of London, Mile End Road, London E1 4NS, UK]","Cavassin, Priscila [Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP), University of Bern, Freiestrasse 3, 3012 Bern, Switzerland]","Hoyas, Sébastien [Laboratory for the Chemistry of Novel Materials, Materials Research Institute, University of Mons, Place du Parc 20, Mons, BE-7000, Belgium, Organic Synthesis & Mass Spectrometry Laboratory, Interdisciplinary Center for Mass Spectrometry (CISMa), Center of Innovation and Research in Materials and Polymers (CIRMAP), University of Mons – UMONS, 23 Place du Parc, 7000 Mons, Belgium]","Meli, Dilara [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA]","Wu, Ruiheng [Department of Chemistry, Northwestern University, Evanston, Illinois 60208, USA]","Paulsen, Bryan D. [Department of Biomedical Engineering, Northwestern University, Evanston, Illinois 60208, USA] (ORCID:0000000209238475)","Strzalka, Joseph [X-Ray Science Division, Argonne National Laboratory, Lemont, Illinois 60439, USA] (ORCID:0000000346198932)","Liscio, Andrea [Istituto per la Microelettronica e Microsistemi, CNR, Roma Unit, via del fosso del cavaliere 100, 00133 Roma, Italy] (ORCID:0000000329863398)","Rivnay, Jonathan [Department of Biomedical Engineering, Northwestern University, Evanston, Illinois 60208, USA, Simpson Querrey Institute, Northwestern University, Chicago, Illinois 60611, USA] (ORCID:0000000206026485)","Sirringhaus, Henning [Optoelectronics Group, Cavendish Laboratory, JJ Thomson Avenue, Cambridge CB3 0HE, UK]","Banerji, Natalie [Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP), University of Bern, Freiestrasse 3, 3012 Bern, Switzerland] (ORCID:0000000191812642)","Beljonne, David [Laboratory for the Chemistry of Novel Materials, Materials Research Institute, University of Mons, Place du Parc 20, Mons, BE-7000, Belgium] (ORCID:0000000150829990)","Fabiano, Simone [Laboratory of Organic Electronics, Department of Science and Technology, Linköping University, SE-601 74 Norrköping, Sweden] (ORCID:0000000170166514)","Nielsen, Christian B. [Department of Chemistry, Queen Mary University of London, Mile End Road, London E1 4NS, UK] (ORCID:0000000285911203)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7526","other_identifiers":["Journal ID: ISSN 2050-7526; JMCCCX"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309830"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309830"}]}, {"osti_id":"2319076","title":"Advanced Electrode Structures for Proton Exchange Membrane Fuel Cells: Current Status and Path Forward","doi":"10.1007/s41918-023-00208-3","product_type":"Journal Article","language":"English","country_publication":"Singapore","relation":"Journal Name: Electrochemical Energy Reviews Journal Volume: 7 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Proton exchange membrane fuel cells (PEMFCs) have demonstrated their viability as a promising candidate for clean energy applications. However, performance of conventional PEMFC electrodes, especially the cathode electrode, suffers from low catalyst utilization and sluggish mass transport due to the randomly distributed components and tortuous transport pathways. Development of alternative architectures in which the electrode structure is controlled across a range of length scales provides a promising path toward overcoming these limitations. Here, we provide a comprehensive review of recent research and development of advanced electrode structures, organized by decreasing length-scale from the millimeter-scale to the nanometer-scale. Specifically, advanced electrode structures are categorized into five unique architectures for specific functions: (1) macro-patterned electrodes for enhanced macro-scale mass transport, (2) micro-patterned electrodes for enhanced micro-scale mass transport, (3) electrospun electrodes with fiber-based morphology for enhanced in-plane proton transport and through-plane O\n <sub>2<\/sub>\n transport, (4) enhanced-porosity electrodes for improved oxygen transport through selective inclusion of void space, and (5) catalyst film electrodes for elimination of carbon corrosion and ionomer poisoning. The PEMFC performance results achieved from each alternative electrode structure are presented and tabulated for comparison with conventional electrode architectures. Moreover, analysis of mechanisms by which new electrode structures can improve performance is presented and discussed. Finally, an overview of current limitations and future research needs is presented to guide the development of electrode structures for next generation PEMFCs.\n <\/p>\n <p>\n <bold>Graphical Abstract<\/bold>\n <\/p>\n <p>Development of improved electrode architectures with the control of structure on length scales ranging from millimeters to nanometers could enable a new generation of fuel cells with increased performance and reduced cost. This paper presents an in-depth review and critical analysis of recent developments and future outlook on the design of advanced electrode structures.<\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Electrochemical Energy Reviews","journal_issue":"1","journal_volume":"7","format":"Medium: X","authors":["Yang, Gaoqiang","Lee, ChungHyuk","Qiao, Xiaoxiao","Babu, Siddharth Komini","Martinez, Ulises","Spendelow, Jacob S. (ORCID:0000000281117782)"],"article_type":"Published Article","doe_contract_number":"2020200DR; 20210915PRD2; 20200777PRD4","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2520-8489","other_identifiers":["Journal ID: ISSN 2520-8489; 9; PII: 208"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319076"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319076"}]}, {"osti_id":"2319042","title":"Understanding piezocatalysis, pyrocatalysis and ferrocatalysis","doi":"10.3389/fnano.2024.1320503","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Nanotechnology Journal Volume: 6","description":"<p>The last decade has witnessed the emergence of the application of piezoelectric and ferroelectric materials for catalytic and photocatalytic applications that harness light, thermal and mechanical energy into chemical reactions. This article surveys the different concepts of pyro- and piezocatalysis and differences with respect to ferrocatalysis and switchable catalysis and delves into the current understanding of the mechanisms underlying piezocatalysis. The outlook for advancing in the surface science studies required for the design of new and better catalysts based on polar electromechanically active materials is discussed in the context of the state of the art experimental studies and potential future nanoscience developments.<\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Nanotechnology","journal_volume":"6","format":"Medium: X","authors":["Domingo, Neus"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2673-3013","other_identifiers":["Journal ID: ISSN 2673-3013; 1320503"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319042"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319042"}]}, {"osti_id":"2319043","title":"Sensitivity Enhancement in Photoconductive Light Field Sampling","doi":"10.1002/adom.202302490","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Optical Materials","description":"<title>Abstract<\/title>\n <p>The emerging field of lightwave electronics is driving optoelectronic information processing beyond current classical limitations and has the potential to eventually reach petahertz frequencies. One of the major obstacles in reaching not only higher switching frequencies but also higher repetition rates with low‐power light sources is the efficiency of related devices. A device is presented based on a multilayered material that shows a 13‐fold enhancement in terms of converting light to electric current compared to bulk solids. Furthermore, the device exhibits an almost flat intensity response within its working range. The outstanding properties of engineered multilayered devices promise to push technology for lightwave electronics applications.<\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Optical Materials","format":"Medium: X","authors":["Altwaijry, Najd [Max Planck Institute of Quantum Optics 85748 Garching Germany, Department of Physics Ludwig‐Maximilians‐Universität 85748 Garching Germany]","Qasim, Muhammad [Max Planck Institute of Quantum Optics 85748 Garching Germany, Department of Physics Ludwig‐Maximilians‐Universität 85748 Garching Germany]","Zimin, Dmitry [Max Planck Institute of Quantum Optics 85748 Garching Germany, Department of Physics Ludwig‐Maximilians‐Universität 85748 Garching Germany]","Karpowicz, Nicholas [Max Planck Institute of Quantum Optics 85748 Garching Germany, Department of Physics Ludwig‐Maximilians‐Universität 85748 Garching Germany]","Kling, Matthias F. [Max Planck Institute of Quantum Optics 85748 Garching Germany, Department of Physics Ludwig‐Maximilians‐Universität 85748 Garching Germany, SLAC National Accelerator Laboratory Menlo Park CA 94025 USA, Applied Physics Department Stanford University Stanford CA 94305 USA] (ORCID:0000000217100775)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2195-1071","other_identifiers":["Journal ID: ISSN 2195-1071; 2302490"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319043"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319043"}]}, {"osti_id":"2320254","title":"Radiation and heat transport in divergent shock–bubble interactions","report_number":"LA-UR-23-31881","doi":"10.1063/5.0185056","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physics of Plasmas; Journal Volume: 31; Journal Issue: 3","description":"Shock–bubble interactions (SBIs) are important across a wide range of physical systems. In inertial confinement fusion, interactions between laser-driven shocks and micro-voids in both ablators and foam targets generate instabilities that are a major obstacle in achieving ignition. Experiments imaging the collapse of such voids at high energy densities (HED) are constrained by spatial and temporal resolution, making simulations a vital tool in understanding these systems. In this study, we benchmark several radiation and thermal transport models in the xRAGE hydrodynamic code against experimental images of a collapsing mesoscale void during the passage of a 300 GPa shock. We also quantitatively examine the role of transport physics in the evolution of the SBI. This allows us to understand the dynamics of the interaction at timescales shorter than experimental imaging framerates. We find that all radiation models examined reproduce empirical shock velocities within experimental error. Radiation transport is found to reduce shock pressures by providing an additional energy pathway in the ablation region, but this effect is small (~1% of total shock pressure). Employing a flux-limited Spitzer model for heat conduction, we find that flux limiters between 0.03 and 0.10 produce agreement with experimental velocities, suggesting that the system is well-within the Spitzer regime. Higher heat conduction is found to lower temperatures in the ablated plasma and to prevent secondary shocks at the ablation front, resulting in weaker primary shocks. Lastly, we confirm that the SBI-driven instabilities observed in the HED regime are baroclinically driven, as in the low energy case.","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Physics of Plasmas","journal_issue":"3","journal_volume":"31","format":"Medium: ED; Size: Article No. 032304","authors":["Kurzer-Ogul, K. [University of Rochester, NY (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000326959431)","Haines, B. M. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000238897074)","Montgomery, D. S. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000223556242)","Pandolfi, S. [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] (ORCID:0000000308559434)","Sauppe, J. P. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000215071595)","Leong, A. F. T. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000224934428)","Hodge, D. [Brigham Young University, Provo, UT (United States)] (ORCID:0000000188273086)","Kozlowski, P. M. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000168493612)","Marchesini, S. [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] (ORCID:0000000267982913)","Cunningham, E. [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] (ORCID:0000000209764416)","Galtier, E. [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] (ORCID:000000020396285X)","Khaghani, D. [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] (ORCID:0000000251392310)","Lee, H. J. [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] (ORCID:0000000240355637)","Nagler, B. [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] (ORCID:0009000257367842)","Sandberg, R. L. [Brigham Young University, Provo, UT (United States)] (ORCID:0000000197198188)","Gleason, Arianna E. [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] (ORCID:0000000277365118)","Aluie, H. [University of Rochester, NY (United States)] (ORCID:0000000335163697)","Shang, J. K. [University of Rochester, NY (United States)] (ORCID:0000000314667108)"],"subjects":["Heat transfer","Thermal transport","Astrophysics","Adaptive mesh refinement","Fusion energy","X-ray phase contrast imaging","High energy density physics","Plasma instabilities","Shock waves","Hydrodynamic codes","heat conduction","shock-bubble interactions","hydrodynamic instabilities","radiation transport","void collapse","HED","shocks","hydrodynamics"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003856; NA0003914; NA0004134; AC02-76SF00515; SC0020229; SC0019329; NSF PHY-2020249; OCE-2123496; PHY-2206380; 89233218CNA000001","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"},{"name":"National Science Foundation (NSF)"},{"name":"National Aeronautics and Space Administration (NASA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Fusion Energy Sciences (FES)","National Science Foundation (NSF)","National Aeronautics and Space Administration (NASA)"],"orgs_research":[{"name":"Univ. of Rochester, NY (United States)"},{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Univ. of Rochester, NY (United States)","Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 1070-664X","other_identifiers":["Journal ID: ISSN 1070-664X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320254"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320254"}]}, {"osti_id":"2319068","title":"Acrylonitrile‐butadiene‐lignin thermoplastic rubber adhesive for enhanced metal‐to‐metal joining","doi":"10.1002/pc.28258","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Polymer Composites","description":"<title>Abstract<\/title>\n <sec>\n <label/>\n <p>With the growing requirement for lightweight structural materials in automotive, aerospace, and infrastructure applications, multi‐material joints made with adhesive have attracted intense research interest. Commercial thermoset adhesives are one‐time cures, and difficult to disassemble the bonded components for repair and recycling. Our prior work with a thermoplastic acrylonitrile‐butadiene‐lignin rubber (ABL) addresses this sustainability/recycling challenge, but the adhesive exhibits deficient joining strength compared to standard thermosets. Here, we modify the ABL matrix by loading particulate fillers to enhance its modulus and toughness. The goal is to manufacture a cure‐free thermoplastic adhesive system with a simple dispensing protocol and characteristic ductility combined with a high yield stress for improved shear strength of a bonded joint. Fumed silica (FS) and epoxidized glass spheres (EGS) were used as fillers in the ABL to promote the dispersion of lignin particles that tailored the functionalities and free energy components of the adhesive surface. With optimal loading of FS (5 wt%) and EGS (30 wt%) in the ABL adhesive matrix, the lap‐shear strength of the bonded aluminum joint was elevated by 128%, compared to the neat ABL, reaching 21 MPa, which is 90% of the performance of a commercial epoxy‐based adhesive.<\/p>\n <\/sec>\n <sec>\n <title>Highlights<\/title>\n <p>\n <list list-type=\'bullet\'>\n <list-item>\n <p>A partly renewable filler‐toughened thermoplastic adhesive has been developed.<\/p>\n <\/list-item>\n <list-item>\n <p>This thermoplastic gives nearly equivalent performance of adhesively bonded aluminum joint compared to standard thermosets.<\/p>\n <\/list-item>\n <list-item>\n <p>Experimental and simulation data help understand the adhesive reinforcing mechanism by the fillers.<\/p>\n <\/list-item>\n <\/list>\n <\/p>\n <\/sec>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Polymer Composites","format":"Medium: X","authors":["Yu, Zeyang [Carbon and Composites Group Oak Ridge National Laboratory Oak Ridge Tennessee USA]","Kanbargi, Nihal [Carbon and Composites Group Oak Ridge National Laboratory Oak Ridge Tennessee USA]","Gupta, Sumit [Carbon and Composites Group Oak Ridge National Laboratory Oak Ridge Tennessee USA]","Shin, Yongsoon [Energy Processes and Materials Division Pacific Northwest National Laboratory Richland Washington USA]","Qiao, Yao [Energy Processes and Materials Division Pacific Northwest National Laboratory Richland Washington USA] (ORCID:0000000265867604)","Bowland, Christopher C. [Carbon and Composites Group Oak Ridge National Laboratory Oak Ridge Tennessee USA]","Merkel, Daniel R. [Energy Processes and Materials Division Pacific Northwest National Laboratory Richland Washington USA]","Simmons, Kevin L. [Energy Processes and Materials Division Pacific Northwest National Laboratory Richland Washington USA]","Naskar, Amit K. [Carbon and Composites Group Oak Ridge National Laboratory Oak Ridge Tennessee USA] (ORCID:0000000210940325)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"FWP# ERKCK60","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0272-8397","other_identifiers":["Journal ID: ISSN 0272-8397; pc.28258"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319068"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319068"}]}, {"osti_id":"2290410","title":"Iron(\n <scp>iv<\/scp>\n ) alkyl complexes: electronic structure contributions to Fe–C bond homolysis and migration reactions that form N–C bonds from N\n <sub>2<\/sub>","doi":"10.1039/D3SC05939A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Chemical Science Journal Volume: 15 Journal Issue: 10","description":"<p>\n Silylation of iron-alkyl-dinitrogen complexes gives high-spin iron(\n <sc>iv<\/sc>\n ) products that also have an iron(\n <sc>ii<\/sc>\n ) resonance structure. The stability and reactivity of these compounds depends on the alkyl group, with insertion and homolysis observed.\n <\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Chemical Science","journal_issue":"10","journal_volume":"15","format":"Medium: X; Size: p. 3485-3494","authors":["Bhutto, Samuel M. [Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA] (ORCID:0000000264643385)","Hooper, Reagan X. [Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA]","McWilliams, Sean F. [Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA]","Mercado, Brandon Q. [Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA]","Holland, Patrick L. [Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA] (ORCID:0000000228832031)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-6520","other_identifiers":["Journal ID: ISSN 2041-6520; CSHCBM"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290410"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290410"}]}, {"osti_id":"2287717","title":"Ambiphilicity of ring-expanded N-heterocyclic carbenes","doi":"10.1039/D3SC04543A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Chemical Science Journal Volume: 15 Journal Issue: 10","description":"<p>Contrasting with popular beliefs, experimental and theoretical data show that some N-heterocyclic carbenes (NHCs), especially the seven and eight membered rings NHCs, are very ambiphilic.<\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Chemical Science","journal_issue":"10","journal_volume":"15","format":"Medium: X; Size: p. 3707-3710","authors":["Vermersch, François [UCSD-CNRS Joint Research Chemistry Laboratory (IRL 3555), Department of Chemistry and Biochemistry, University of California, La Jolla, San Diego, California 92093-0358, USA] (ORCID:0000000284178003)","Wang, Victor T. [UCSD-CNRS Joint Research Chemistry Laboratory (IRL 3555), Department of Chemistry and Biochemistry, University of California, La Jolla, San Diego, California 92093-0358, USA] (ORCID:000900048998580X)","Abdellaoui, Mehdi [UCSD-CNRS Joint Research Chemistry Laboratory (IRL 3555), Department of Chemistry and Biochemistry, University of California, La Jolla, San Diego, California 92093-0358, USA] (ORCID:0000000227192095)","Jazzar, Rodolphe [UCSD-CNRS Joint Research Chemistry Laboratory (IRL 3555), Department of Chemistry and Biochemistry, University of California, La Jolla, San Diego, California 92093-0358, USA] (ORCID:0000000241567826)","Bertrand, Guy [UCSD-CNRS Joint Research Chemistry Laboratory (IRL 3555), Department of Chemistry and Biochemistry, University of California, La Jolla, San Diego, California 92093-0358, USA] (ORCID:0000000326232363)"],"article_type":"Published Article","doe_contract_number":"SC0009376","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-6520","other_identifiers":["Journal ID: ISSN 2041-6520; CSHCBM"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287717"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287717"}]}, {"osti_id":"2323280","title":"Double-domed temperature-pressure phase diagram of <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:msub><mml:mi>CePd<\/mml:mi><mml:mn>3<\/mml:mn><\/mml:msub><mml:msub><mml:mi mathvariant=\"normal\">S<\/mml:mi><mml:mn>4<\/mml:mn><\/mml:msub><\/mml:mrow><\/mml:math>","report_number":"IS-J-11,283","doi":"10.1103/physrevb.109.094406","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 9","description":"CePd<sub>3<\/sub>S<sub>4<\/sub> exhibits interplay between ferromagnetism (FM), quadrupolar order, and the Kondo effect at low temperatures with a FM transition temperature that is much higher than the value expected from the de Gennes scaling of the heavier RPd<sub>3<\/sub>S<sub>4<\/sub> compounds. In this work, we investigated the electrical transport and magnetic properties of CePd<sub>3<\/sub>S<sub>4<\/sub> under pressure up through 12 GPa so as to better understand the interplay between electronic and magnetic phases in this material. Our findings show that the low pressure FM state is suddenly replaced by a new magnetically ordered phase that is most likely antiferromagnetic that spans from ~ 7 GPa to ~ 11 GPa. Whereas this could be described as an example of avoided quantum criticality, given that clear changes in resistance and Hall data are detected near 6.3 GPa for all temperatures below 300 K, it is also possible that the change in ground state is a response to a pressure induced change in structure. Furthermore, the lack of any discernible change in the pressure dependence of the room temperature unit cell parameter/volume across this whole pressure range suggests that this change in structure is either more subtle than could be detected by our measurements (i.e. development of weak, new wave vector) or the transition is electronic (such as a Lifshitz transition).","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"9","journal_volume":"109","format":"Medium: ED; Size: Article No. 094406","authors":["Huyan, S. [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)] (ORCID:0000000309992440)","Slade, T. J. [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)]","Wang, H. [Michigan State Univ., East Lansing, MI (United States)] (ORCID:000000034820833X)","Flint, R. [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)]","Ribeiro, R. A. [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)] (ORCID:0000000160751701)","Xie, W. [Michigan State Univ., East Lansing, MI (United States)]","Bud\'ko, S. L. [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)] (ORCID:0000000236035585)","Canfield, P. C. [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)]"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358; SC0023648","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323280"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323280"}]}, {"osti_id":"2319058","title":"Daytime variation in the aerosol indirect effect for warm marine boundary layer clouds in the eastern North Atlantic","doi":"10.5194/acp-24-2913-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Atmospheric Chemistry and Physics (Online) Journal Volume: 24 Journal Issue: 5","description":"<p>Abstract. Warm boundary layer clouds in the eastern North Atlantic region exhibit significant diurnal variations in cloud properties. However, the diurnal cycle of the aerosol indirect effect (AIE) for these clouds remains poorly understood. This study takes advantage of recent advancements in the spatial resolution of geostationary satellites to explore the daytime variation in the AIE by estimating the cloud susceptibilities to changes in cloud droplet number concentration (Nd). Cloud retrievals for the month of July over 4 years (2018–2021) from the Spinning Enhanced Visible and Infrared Imager (SEVIRI) on Meteosat-11 over this region are analyzed. Our results reveal a significant “U-shaped” daytime cycle in susceptibilities of the cloud liquid water path (LWP), cloud albedo, and cloud fraction. Clouds are found to be more susceptible to Nd perturbations at noon and less susceptible in the morning and evening. The magnitude and sign of cloud susceptibilities depend heavily on the cloud state defined by cloud LWP and precipitation conditions. Non-precipitating thin clouds account for 44 % of all warm boundary layer clouds in July, and they contribute the most to the observed daytime variation. Non-precipitating thick clouds are the least frequent cloud state (10 %), and they exhibit more negative LWP and albedo susceptibilities compared to thin clouds. Precipitating clouds are the dominant cloud state (46 %), but their cloud susceptibilities show minimal variation throughout the day. We find evidence that the daytime variation in LWP and albedo susceptibilities for non-precipitating clouds is influenced by a combination of the diurnal transition between non-precipitating thick and thin clouds and the “lagged” cloud responses to Nd perturbations. The daytime variation in cloud fraction susceptibility for non-precipitating thick clouds can be attributed to the daytime variation in cloud morphology (e.g., overcast or broken). The dissipation and development of clouds do not adequately explain the observed variation in cloud susceptibilities. Additionally, daytime variation in cloud susceptibility is primarily driven by variation in the intensity of cloud response rather than the frequency of occurrence of cloud states. Our results imply that polar-orbiting satellites with an overpass time at 13:30 LT underestimate daytime mean values of cloud susceptibility, as they observe susceptibility daily minima in the study region.<\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Atmospheric Chemistry and Physics (Online)","journal_issue":"5","journal_volume":"24","format":"Medium: X; Size: p. 2913-2935","authors":["Qiu, Shaoyue (ORCID:0000000337541129)","Zheng, Xue (ORCID:0000000293721776)","Painemal, David","Terai, Christopher R.","Zhou, Xiaoli"],"article_type":"Published Article","doe_contract_number":"SCW1740","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1680-7324","other_identifiers":["Journal ID: ISSN 1680-7324"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319058"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319058"}]}, {"osti_id":"2319047","title":"Improving Stratocumulus Cloud Amounts in a 200‐m Resolution Multi‐Scale Modeling Framework Through Tuning of Its Interior Physics","doi":"10.1029/2023MS003632","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Advances in Modeling Earth Systems Journal Volume: 16 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>High‐Resolution Multi‐scale Modeling Frameworks (HR)—global climate models that embed separate, convection‐resolving models with high enough resolution to resolve boundary layer eddies—have exciting potential for investigating low cloud feedback dynamics due to reduced parameterization and ability for multidecadal throughput on modern computing hardware. However low clouds in past HR have suffered a stubborn problem of over‐entrainment due to an uncontrolled source of mixing across the marine subtropical inversion manifesting as stratocumulus dim biases in present‐day climate, limiting their scientific utility. We report new results showing that this over‐entrainment can be partly offset by using hyperviscosity and cloud droplet sedimentation. Hyperviscosity damps small‐scale momentum fluctuations associated with the formulation of the momentum solver of the embedded large eddy simulation. By considering the sedimentation process adjacent to default one‐moment microphysics in HR, condensed phase particles can be removed from the entrainment zone, which further reduces entrainment efficiency. The result is an HR that can produce more low clouds with a higher liquid water path and a reduced stratocumulus dim bias. Associated improvements in the explicitly simulated sub‐cloud eddy spectrum are observed. We report these sensitivities in multi‐week tests and then explore their operational potential alongside microphysical retuning in decadal simulations at operational 1.5° exterior resolution. The result is a new HR having desired improvements in the baseline present‐day low cloud climatology, and a reduced global mean bias and root mean squared error of absorbed shortwave radiation. We suggest it should be promising for examining low cloud feedbacks with minimal approximation.<\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Advances in Modeling Earth Systems","journal_issue":"3","journal_volume":"16","format":"Medium: X","authors":["Peng, Liran [Department of Earth System Science University of California, Irvine Irvine CA USA] (ORCID:0000000329935208)","Blossey, Peter N. [Department of Atmospheric Sciences University of Washington Seattle WA USA] (ORCID:0000000203520840)","Hannah, Walter M. [Lawrence Livermore National Laboratory Livermore CA USA] (ORCID:0000000248111928)","Bretherton, Christopher S. [Department of Atmospheric Sciences University of Washington Seattle WA USA, Allen Institute for Artificial Intelligence Seattle WA USA] (ORCID:0000000267128856)","Terai, Christopher R. [Lawrence Livermore National Laboratory Livermore CA USA] (ORCID:0000000224330472)","Jenney, Andrea M. [Department of Earth System Science University of California, Irvine Irvine CA USA] (ORCID:0000000337846627)","Pritchard, Michael [Department of Earth System Science University of California, Irvine Irvine CA USA, NVIDIA Santa Clara CA USA] (ORCID:0000000203406327)"],"article_type":"Published Article","doe_contract_number":"DE‐AC52‐07NA27344; DE‐SC0023368","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1942-2466","other_identifiers":["Journal ID: ISSN 1942-2466; e2023MS003632"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319047"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319047"}]}, {"osti_id":"2319074","title":"A fast, matrix-based method to perform omnidirectional pressure integration","doi":"10.1088/1361-6501/ad2da5","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Measurement Science and Technology Journal Volume: 35 Journal Issue: 6","description":"<title>Abstract<\/title>\n <p>Experimentally-measured pressure fields play an important role in understanding many fluid dynamics problems. Unfortunately, pressure fields are difficult to measure directly with non-invasive, spatially resolved diagnostics, and calculations of pressure from velocity have proven sensitive to error in the data. Omnidirectional line integration methods are usually more accurate and robust to these effects as compared to implicit Poisson equations, but have seen slower uptake due to the higher computational and memory costs, particularly in 3D domains. This paper demonstrates how omnidirectional line integration approaches can be converted to a matrix inversion problem. This novel formulation uses an iterative approach so that the boundary conditions are updated each step, preserving the convergence behavior of omnidirectional schemes while also keeping the computational efficiency of Poisson solvers. This method is implemented in Matlab and also as a GPU-accelerated code in CUDA-C++. The behavior of the new method is demonstrated on 2D and 3D synthetic and experimental data. Three-dimensional grid sizes of up to 125 million grid points are tractable with this method, opening exciting opportunities to perform volumetric pressure field estimation from 3D PIV measurements.<\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"IOP Publishing","journal_name":"Measurement Science and Technology","journal_issue":"6","journal_volume":"35","format":"Medium: X; Size: Article No. 065302","authors":["Zigunov, Fernando (ORCID:000000028036989X)","Charonko, John J. (ORCID:0000000203969672)"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0957-0233","other_identifiers":["Journal ID: ISSN 0957-0233"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319074"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319074"}]}, {"osti_id":"2319064","title":"High-efficiency narrow-bandwidth KTP optical parametric oscillator for kHz–MHz planar laser-induced fluorescence","doi":"10.1364/OL.510334","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optics Letters Journal Volume: 49 Journal Issue: 6","description":"<p>\n The electronic excitation of key combustion species or flow tagging of chemical species requires a narrowband tunable UV source. In this work, a potassium titanyl phosphate (KTP) burst-mode optical parametric oscillator (OPO) pumped by a 532 nm laser is developed to generate a spectrally narrow signal and an idler output with 1.48 ± 0.19 cm\n <sup>−1<\/sup>\n bandwidth without the need for injection seeding. The idler (1410–1550 nm range) is further mixed with 355 or 266 nm to generate 284 or 226 nm for OH or NO planar laser-induced fluorescence (PLIF), respectively, with up to 1.9% conversion efficiency from 1064 nm to the UV. MHz-rate burst profiles are reported, and OH and NO PLIF are demonstrated in a rotating detonation combustor at rates up to 200 kHz.\n <\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Optical Society of America","journal_name":"Optics Letters","journal_issue":"6","journal_volume":"49","format":"Medium: X; Size: Article No. 1473","authors":["Webb, Austin M. (ORCID:0000000155897474)","Crabtree, Christopher Q.","Athmanathan, Venkat (ORCID:0000000308764198)","Meyer, Terrence R. (ORCID:000000022071142X)","Kearney, Sean P.","Slipchenko, Mikhail N. (ORCID:0000000333119385)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"2095505","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0146-9592","other_identifiers":["Journal ID: ISSN 0146-9592; OPLEDP"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319064"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319064"}]}, {"osti_id":"2301767","title":"Detection of tritium using ultrafast laser-induced breakdown spectroscopy","doi":"10.1039/D3JA00439B","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Analytical Atomic Spectrometry Journal Volume: 39 Journal Issue: 3","description":"<p>Detection of protium, deuterium and tritium using ultrafast LIBS with rapid, and standoff capability in addition to no sample preparation requirement which are crucial to nuclear nonproliferation, safeguards, and security<\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Analytical Atomic Spectrometry","journal_issue":"3","journal_volume":"39","format":"Medium: X; Size: p. 699-703","authors":["Harilal, Sivanandan S. [Pacific Northwest National Laboratory, Richland, Washington 99354, USA] (ORCID:0000000322667976)","Shaik, Abdul K. [Pacific Northwest National Laboratory, Richland, Washington 99354, USA]","Kautz, Elizabeth J. [Pacific Northwest National Laboratory, Richland, Washington 99354, USA, Nuclear Engineering Department, North Carolina State University, Raleigh, North Carolina 27695, USA] (ORCID:0000000263389223)","Devaraj, Arun [Pacific Northwest National Laboratory, Richland, Washington 99354, USA] (ORCID:0000000313146212)","Casella, Andrew M. [Pacific Northwest National Laboratory, Richland, Washington 99354, USA]","Senor, David J. [Pacific Northwest National Laboratory, Richland, Washington 99354, USA]"],"article_type":"Published Article","doe_contract_number":"AC05-76RL01830","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0267-9477","other_identifiers":["Journal ID: ISSN 0267-9477; JASPE2"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301767"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301767"}]}, {"osti_id":"2318756","title":"2024 roadmap on 2D topological insulators","doi":"10.1088/2515-7639/ad2083","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: JPhys Materials Journal Volume: 7 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>2D topological insulators promise novel approaches towards electronic, spintronic, and quantum device applications. This is owing to unique features of their electronic band structure, in which bulk-boundary correspondences enforces the existence of 1D spin-momentum locked metallic edge states – both helical and chiral – surrounding an electrically insulating bulk. Forty years since the first discoveries of topological phases in condensed matter, the abstract concept of band topology has sprung into realization with several materials now available in which sizable bulk energy gaps – up to a few hundred meV – promise to enable topology for applications even at room-temperature. Further, the possibility of combing 2D TIs in heterostructures with functional materials such as multiferroics, ferromagnets, and superconductors, vastly extends the range of applicability beyond their intrinsic properties. While 2D TIs remain a unique testbed for questions of fundamental condensed matter physics, proposals seek to control the topologically protected bulk or boundary states electrically, or even induce topological phase transitions to engender switching functionality. Induction of superconducting pairing in 2D TIs strives to realize non-Abelian quasiparticles, promising avenues towards fault-tolerant topological quantum computing. This roadmap aims to present a status update of the field, reviewing recent advances and remaining challenges in theoretical understanding, materials synthesis, physical characterization and, ultimately, device perspectives.<\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"IOP Publishing","journal_name":"JPhys Materials","journal_issue":"2","journal_volume":"7","format":"Medium: X; Size: Article No. 022501","authors":["Weber, Bent (ORCID:000000018586127X)","Fuhrer, Michael S.","Sheng, Xian-Lei","Yang, Shengyuan A.","Thomale, Ronny (ORCID:0000000239798836)","Shamim, Saquib (ORCID:0000000154627923)","Molenkamp, Laurens W.","Cobden, David","Pesin, Dmytro","Zandvliet, Harold J. W. (ORCID:000000016809139X)","Bampoulis, Pantelis (ORCID:0000000223475223)","Claessen, Ralph (ORCID:0000000336826325)","Menges, Fabian R.","Gooth, Johannes","Felser, Claudia","Shekhar, Chandra","Tadich, Anton","Zhao, Mengting","Edmonds, Mark T.","Jia, Junxiang","Bieniek, Maciej","Väyrynen, Jukka I. (ORCID:0000000275318764)","Culcer, Dimitrie (ORCID:0000000223420396)","Muralidharan, Bhaskaran","Nadeem, Muhammad"],"article_type":"Published Article","doe_contract_number":"SC0019443","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2515-7639","other_identifiers":["Journal ID: ISSN 2515-7639"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318756"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318756"}]}, {"osti_id":"2318769","title":"Regime shifts in Arctic terrestrial hydrology manifested from impacts of climate warming","doi":"10.5194/tc-18-1033-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: The Cryosphere (Online) Journal Volume: 18 Journal Issue: 3","description":"<p>Abstract. Anthropogenic warming in the Arctic is causing hydrological cycle intensification and permafrost thaw, with implications for flows of water, carbon, and energy from terrestrial biomes to coastal zones. To better understand the likely impacts of these changes, we used a hydrology model driven by meteorological data from atmospheric reanalysis and two global climate models for the period 1980–2100. The hydrology model accounts for soil freeze–thaw processes and was applied across the pan-Arctic drainage basin. The simulations point to greater changes over northernmost areas of the basin underlain by permafrost and to the western Arctic. An acceleration of simulated river discharge over the recent past is commensurate with trends drawn from observations and reported in other studies. Between early-century (2000–2019) and late-century (2080–2099) periods, the model simulations indicate an increase in annual total runoff of 17 %–25 %, while the proportion of runoff emanating from subsurface pathways is projected to increase by 13 %–30 %, with the largest changes noted in summer and autumn and across areas with permafrost. Most notably, runoff contributions to river discharge shift to northern parts of the Arctic Basin that contain greater amounts of soil carbon. Each season sees an increase in subsurface runoff; spring is the only season where surface runoff dominates the rise in total runoff, and summer experiences a decline in total runoff despite an increase in the subsurface component. The greater changes that are seen in areas where permafrost exists support the notion that increased soil thaw is shifting hydrological contributions to more subsurface flow. The manifestations of warming, hydrological cycle intensification, and permafrost thaw will impact Arctic terrestrial and coastal environments through altered river flows and the materials they transport.<\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"The Cryosphere (Online)","journal_issue":"3","journal_volume":"18","format":"Medium: X; Size: p. 1033-1052","authors":["Rawlins, Michael A. (ORCID:0000000233238256)","Karmalkar, Ambarish V. (ORCID:0000000229400417)"],"article_type":"Published Article","doe_contract_number":"SC0019462","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1994-0424","other_identifiers":["Journal ID: ISSN 1994-0424"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318769"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318769"}]}, {"osti_id":"2305782","title":"Alkaline earth metal-assisted dinitrogen activation at nickel","doi":"10.1039/D3DT03984F","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Dalton Transactions Journal Volume: 53 Journal Issue: 10","description":"<p>\n Rare examples of trinuclear [Ni–N\n <sub>2<\/sub>\n –M–N\n <sub>2<\/sub>\n –Ni] core (M = Ca, Mg) with linear bridged dinitrogen ligands are reported in this work.\n <\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Dalton Transactions","journal_issue":"10","journal_volume":"53","format":"Medium: X; Size: p. 4689-4697","authors":["Knoell, Theresa [Department of Chemistry Towson University, 8000 York Road, Towson, MD 21252, USA]","Polanco, Jocelyn [Department of Chemistry Towson University, 8000 York Road, Towson, MD 21252, USA]","MacMillan, Samantha N. [Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, USA] (ORCID:0000000165161823)","Bertke, Jeffery A. [Georgetown University, Department of Chemistry, Washington, DC 20057, USA] (ORCID:0000000234195163)","Foroutan-Nejad, Cina [Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, Poland] (ORCID:0000000307558173)","Lancaster, Kyle M. [Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, USA] (ORCID:000000017296128X)","‘Gus’ Bakhoda, Abolghasem [Department of Chemistry Towson University, 8000 York Road, Towson, MD 21252, USA] (ORCID:0000000232228873)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"AC02-76SF00515","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1477-9226","other_identifiers":["Journal ID: ISSN 1477-9226; ICHBD9"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305782"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305782"}]}, {"osti_id":"2318739","title":"Tipping points emerge from weak mutualism in metacommunities","doi":"10.1371/journal.pcbi.1011899","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: PLoS Computational Biology (Online) Journal Volume: 20 Journal Issue: 3","description":"<p>The coexistence of obligate mutualists is often precariously close to tipping points where small environmental changes can drive catastrophic shifts in species composition. For example, microbial ecosystems can collapse by the decline of a strain that provides an essential resource on which other strains cross-feed. Here, we show that tipping points, ecosystem collapse, bistability and hysteresis arise even with very weak (non-obligate) mutualism provided the population is spatially structured. Based on numeric solutions of a metacommunity model and mean-field analyses, we demonstrate that weak mutualism lowers the minimal dispersal rate necessary to avoid stochastic extinction, while species need to overcome a mean threshold density to survive in this low dispersal rate regime. Our results allow us to make numerous predictions for mutualistic metacommunities regarding tipping points, hysteresis effects, and recovery from external perturbations, and lets us draw general conclusions for ecosystems even with random, not necessarily mutualistic, interactions and systems with density-dependent dispersal rather than direct mutualistic interactions.<\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Public Library of Science (PLoS)","journal_name":"PLoS Computational Biology (Online)","journal_issue":"3","journal_volume":"20","format":"Medium: X; Size: Article No. e1011899","authors":["Denk, Jonas (ORCID:0000000185208414)","Hallatschek, Oskar (ORCID:0000000213125975)","Grilli, ed., Jacopo"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"BER-ERCAP0024898","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1553-7358","other_identifiers":["Journal ID: ISSN 1553-7358; 10.1371/journal.pcbi.1011899"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318739"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318739"}]}, {"osti_id":"2318738","title":"Agrivoltaic system design tools for managing trade-offs between energy production, crop productivity and water consumption","doi":"10.1088/1748-9326/ad2ab8","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Environmental Research Letters Journal Volume: 19 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Agrivoltaic systems that locate crop production and photovoltaic energy generation on the same land have the potential to aid the transition to renewable energy by reducing the competition between food, habitat, and energy needs for land while reducing irrigation requirements. Experimental efforts to date have not adequately developed an understanding of the interaction among local climate, array design and crop selection sufficient to manage trade-offs in system design. This study simulates the energy production, crop productivity and water consumption impacts of agrivoltaic array design choices in arid and semi-arid environments in the Southwestern region of the United States. Using the Penman-Monteith evapotranspiration model, we predict agrivoltaics can reduce crop water consumption by 30-40% of the array coverage level, depending on local climate. A crop model simulating productivity based on both light level and temperature identifies afternoon shading provided by agrivoltaic arrays as potentially beneficial for shade tolerant plants in hot, dry settings. At the locations considered, several designs and crop combinations exceed land equivalence ratio (LER) values of 2, indicating a doubling of the output per acre for the land resource. These results highlight key design axes for agrivoltaic systems and point to a decision support tool for their development.<\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"IOP Publishing","journal_name":"Environmental Research Letters","journal_issue":"3","journal_volume":"19","format":"Medium: X; Size: Article No. 034046","authors":["Warmann, Emily (ORCID:0000000228104608)","Jenerette, G. Darrel","Barron-Gafford, Greg A."],"article_type":"Published Article","doe_contract_number":"EE00034165","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1748-9326","other_identifiers":["Journal ID: ISSN 1748-9326"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318738"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318738"}]}, {"osti_id":"2318748","title":"Tailored Micromagnet Sorting Gate for Simultaneous Multiple Cell Screening in Portable Magnetophoretic Cell‐On‐Chip Platforms","doi":"10.1002/adfm.202312875","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Functional Materials","description":"<title>Abstract<\/title>\n <p>Conventional magnetophoresis techniques for manipulating biocarriers and cells predominantly rely on large‐scale electromagnetic systems, which is a major obstacle to the development of portable and miniaturized cell‐on‐chip platforms. Herein, a novel magnetic engineering approach by tailoring a nanoscale notch on a disk micromagnet using two‐step optical and thermal lithography is developed. Versatile manipulations are demonstrated, such as separation and trapping, of carriers and cells by mediating changes in the magnetic domain structure and discontinuous movement of magnetic energy wells around the circumferential edge of the micromagnet caused by a locally fabricated nano‐notch in a low magnetic field system. The motion of the magnetic energy well is regulated by the configuration of the nanoscale notch and the strength and frequency of the magnetic field, accompanying the jump motion of the carriers. The proposed concepts demonstrate that multiple carriers and cells can be manipulated and sorted using optimized nanoscale multi‐notch gates for a portable magnetophoretic system. This highlights the potential for developing cost‐effective point‐of‐care testing and lab‐on‐chip systems for various single‐cell‐level diagnoses and analyses.<\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Functional Materials","format":"Medium: X","authors":["Yoon, Jonghwan [Department of Physics and Chemistry DGIST Daegu 42988 Republic of Korea] (ORCID:000000020855859X)","Kang, Yumin [Department of Physics and Chemistry DGIST Daegu 42988 Republic of Korea] (ORCID:0000000212749815)","Kim, Hyeonseol [Department of Physics and Chemistry DGIST Daegu 42988 Republic of Korea] (ORCID:0000000270075150)","Ali, Abbas [Department of Physics and Chemistry DGIST Daegu 42988 Republic of Korea]","Kim, Keonmok [Department of Physics and Chemistry DGIST Daegu 42988 Republic of Korea]","Torati, Sri Ramulu [Department of Physics and Chemistry DGIST Daegu 42988 Republic of Korea] (ORCID:0000000165711653)","Im, Mi‐Young [Center for X‐ray Optics Lawrence Berkeley National Laboratory Berkeley CA 94720 USA]","Jeon, Changyeop [Department of Physics and Chemistry DGIST Daegu 42988 Republic of Korea]","Lim, Byeonghwa [Department of Smart Sensor Engineering Andong National University Andong 36729 Republic of Korea] (ORCID:0000000196591105)","Kim, CheolGi [Department of Physics and Chemistry DGIST Daegu 42988 Republic of Korea] (ORCID:0000000195315758)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1616-301X","other_identifiers":["Journal ID: ISSN 1616-301X; 2312875"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318748"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318748"}]}, {"osti_id":"2318758","title":"Analysis of Grid-Forming Inverter Controls for Grid-Connected and Islanded Microgrid Integration","doi":"10.3390/su16052148","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Sustainability (Basel) Journal Volume: 16 Journal Issue: 5","description":"<p>Autonomous grid-forming (GFM) inverter testbeds with scalable platforms have attracted interest recently. In this study, a self-synchronized universal droop controller (SUDC) was adopted, tested, and scaled in a small network and a test feeder using a real-time simulation tool to operate microgrids without synchronous generators. We presented a novel GFM inverter control adoption to better understand the dynamic behavior of the inverters and their scalability, which can impact the distribution system (DS). This paper provides a steady-state and transient analysis of the GFM power inverter controller via simulation to better understand voltage and frequency stabilization and ensure that the critical electric loads are not affected during a prolonged power outage. The controllers of the GFM inverter are simulated in HYPERSIM to examine voltage and frequency fluctuations. This analysis includes assessing the black start capability for photovoltaic microgrids, both grid-connected and islanded, during transient fault conditions. The high photovoltaic PV penetration levels open exciting opportunities and challenges for the DS. The GFM inverter control demonstrated appropriate response times for synchronization, connection, and disconnection to the grid. The DS has become more resilient and independent of fossil fuels by increasing the penetration of inverter-based distributed energy resources (DERs).<\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"MDPI AG","journal_name":"Sustainability (Basel)","journal_issue":"5","journal_volume":"16","format":"Medium: X; Size: Article No. 2148","authors":["Ward, Laura (ORCID:0000000345501581)","Subburaj, Anitha","Demir, Ayda (ORCID:0000000190747666)","Chamana, Manohar (ORCID:000000025368910X)","Bayne, Stephen B."],"article_type":"Published Article","doe_contract_number":"EE0009030","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2071-1050","other_identifiers":["Journal ID: ISSN 2071-1050; SUSTDE; PII: su16052148"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318758"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318758"}]}, {"osti_id":"2305570","title":"Vapor phase deposition of perovskite photovoltaics: short track to commercialization?","report_number":"NREL/JA-4B00-88518","doi":"10.1039/D3EE03273F","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Energy & Environmental Science Journal Volume: 17 Journal Issue: 5","description":"While perovskite-based photovoltaics (PV) is progressing toward commercialization, it remains an open question which fabrication technology – solution-based, vapor-based, or combinations – will pave the way to faster economic breakthrough. The vast majority of research studies make use of solution-processed perovskite thin films, which benefit from a rapid optimization feedback and inexpensive to procure tools in modern research laboratories, but vapor phase deposition processes dominate today\'s established thin-film manufacturing. As research and development of vapor phase processed perovskite thin films are still strongly underrepresented in literature, their full potential is yet to be identified. In this collaborative perspective of academic influenced by industrial views, we convey a balanced viewpoint on the prospects of vapor-based processing of perovskite PV at an industrial scale. Our perspective highlights the conceptual advantages of vapor phase deposition, discusses the most crucial process parameters in a technology assessment, contains an overview about relevant global industry clusters, and provides an outlook on the commercialization perspectives of the perovskite technology in general.","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Energy & Environmental Science","journal_issue":"5","journal_volume":"17","format":"Medium: X; Size: p. 1645-1663","authors":["Abzieher, Tobias [National Renewable Energy Laboratory (NREL), Golden, CO, USA] (ORCID:0000000227330136)","Moore, David T. [National Renewable Energy Laboratory (NREL), Golden, CO, USA] (ORCID:0000000335387586)","Roß, Marcel [Helmholtz Zentrum Berlin (HZB), Berlin, Germany] (ORCID:0000000259168540)","Albrecht, Steve [Helmholtz Zentrum Berlin (HZB), Berlin, Germany] (ORCID:0000000199629535)","Silvia, Jared [BlueDot Photonics Inc, Seattle, WA, USA]","Tan, Hairen [Nanjing University, Nanjing, China] (ORCID:000000030821476X)","Jeangros, Quentin [Centre Suisse d’Electronique et de Microtechnique (CSEM), Neuchâtel, Switzerland]","Ballif, Christophe [Centre Suisse d’Electronique et de Microtechnique (CSEM), Neuchâtel, Switzerland, École Polytechnique Fédérale de Lausanne (EPFL), Institute of Electrical and Micro Engineering (IEM), Photovoltaics and Thin-Film Electronics Laboratory, Neuchâtel, Switzerland]","Hoerantner, Maximilian T. [Swift Solar, San Carlos, CA, USA]","Kim, Beom-Soo [Korea Research Institute of Chemical Technology (KRICT), Daejeon, Republic of Korea] (ORCID:0000000288462263)","Bolink, Henk J. [Universitat de València, València, Spain] (ORCID:0000000197846253)","Pistor, Paul [Martin-Luther-University Halle-Wittenberg, Halle, Germany, Universidad Pablo de Olavide (UPO), Seville, Spain] (ORCID:000000029244915X)","Goldschmidt, Jan Christoph [Philipps-University Marburg, Marburg, Germany] (ORCID:0000000332561366)","Chiang, Yu-Hsien [Department of Chemical Engineering and Biotechnology, University of Cambridge, Cambridge, UK, Department of Physics, University of Cambridge, Cambridge, UK]","Stranks, Samuel D. [Department of Chemical Engineering and Biotechnology, University of Cambridge, Cambridge, UK, Department of Physics, University of Cambridge, Cambridge, UK] (ORCID:0000000283037292)","Borchert, Juliane [Fraunhofer Institute for Solar Energy Systems, Freiburg, Germany, University of Freiburg, INATECH, Freiburg, Germany]","McGehee, Michael D. [University of Colorado Boulder, Boulder, CO, USA] (ORCID:0000000196099030)","Morales-Masis, Monica [MESA+ Institute for Nanotechnology, University of Twente, Enschede, The Netherlands] (ORCID:0000000303906839)","Patel, Jay B. [Department of Physics, King\'s College London, London, UK] (ORCID:0000000151321232)","Bruno, Annalisa [Nanyang Technological University, Singapore, Singapore] (ORCID:0000000269631682)","Paetzold, Ulrich W. [Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany] (ORCID:0000000215578361)"],"subjects":["14 SOLAR ENERGY","perovskites","vapor deposition"],"article_type":"Published Article","doe_contract_number":"EE0009017, DE-AC36-08GO28308; AC36-08GO28308; EE0009017; 202300302107","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"},{"name":"Ministry of Trade, Industry and Energy (MOTIE)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office","Ministry of Trade, Industry and Energy (MOTIE)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 1754-5692","other_identifiers":["Journal ID: ISSN 1754-5692; EESNBY"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305570"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305570"}]}, {"osti_id":"2318759","title":"Argonaute and Dicer are essential for communication between\n <i>Trichoderma atroviride<\/i>\n and fungal hosts during mycoparasitism","doi":"10.1128/spectrum.03165-23","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Microbiology Spectrum","description":"Trichoderma species are known for their mycoparasitic activity against phytopathogenic fungi that cause significant economic losses in agriculture. During mycoparasitism, Trichoderma spp. recognize molecules produced by the host fungus and release secondary metabolites and hydrolytic enzymes to kill and degrade the host’s cell wall. Here, we explored the participation of the Trichoderma atroviride RNAi machinery in the interaction with six phytopathogenic fungi of economic importance. We determined that both Argonaute-3 and Dicer-2 play an essential role during mycoparasitism. Using an RNA-Seq approach, we identified that perception, detox, and cell wall degradation depend on the T. atroviride-RNAi when interacting with Alternaria alternata, Rhizoctonia solani AG2, and R. solani AG5. Furthermore, we constructed a gene co-expression network that provides evidence of two gene modules regulated by RNAi, which play crucial roles in essential processes during mycoparasitism. In addition, based on small RNA-seq, we conclude that siRNAs regulate amino acid and carbon metabolism and communication during the Trichoderma-host interaction. Interestingly, our data suggest that siRNAs might regulate allorecognition (het) and transport genes in a cross-species manner. Thus, these results reveal a fine-tuned regulation in T. atroviride dependent on siRNAs that is essential during the biocontrol of phytopathogenic fungi, showing a greater complexity of this process than previously established.","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Society for Microbiology","journal_name":"Microbiology Spectrum","format":"Medium: X","authors":["Enriquez-Felix, Eli Efrain [Laboratorio Nacional de Genómica para la Biodiversidad-Unidad de Genómica Avanzada, Cinvestav Campus Guanajuato, Irapuato, Guanajuato, Mexico]","Pérez-Salazar, Camilo [Laboratorio Nacional de Genómica para la Biodiversidad-Unidad de Genómica Avanzada, Cinvestav Campus Guanajuato, Irapuato, Guanajuato, Mexico]","Rico-Ruiz, José Guillermo [Laboratorio Nacional de Genómica para la Biodiversidad-Unidad de Genómica Avanzada, Cinvestav Campus Guanajuato, Irapuato, Guanajuato, Mexico]","Calheiros de Carvalho, Ana [Novo Nordisk Center for Biosustainability, Technical University of Denmark, Lyngby, Denmark]","Cruz-Morales, Pablo [Novo Nordisk Center for Biosustainability, Technical University of Denmark, Lyngby, Denmark, The LatAmBio Initiative, Irapuato, Guanajuato, Mexico]","Villalobos-Escobedo, José Manuel [Laboratorio Nacional de Genómica para la Biodiversidad-Unidad de Genómica Avanzada, Cinvestav Campus Guanajuato, Irapuato, Guanajuato, Mexico, The LatAmBio Initiative, Irapuato, Guanajuato, Mexico, Plant and Microbial Biology Department, University of California, Berkeley, Carlifornia, USA, Environmental Genomics and Systems Biology Division, Lawrence Berkeley National Laboratory, Berkeley, Carlifornia, USA] (ORCID:0000000284126748)","Herrera-Estrella, Alfredo [Laboratorio Nacional de Genómica para la Biodiversidad-Unidad de Genómica Avanzada, Cinvestav Campus Guanajuato, Irapuato, Guanajuato, Mexico, The LatAmBio Initiative, Irapuato, Guanajuato, Mexico] (ORCID:0000000245896870)","Goldman, ed., Gustavo H.","Donofrio, Nicole"],"subjects":["59 BASIC BIOLOGICAL SCIENCES","RNAseq","Trichoderma atroviride","mycroparasitism","RNAi","sRNA","biocontrol","transcriptome","gene expression network","secondary metabolites"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"University of California, Berkeley, CA (United States)"}],"research_orgs":["University of California, Berkeley, CA (United States)"],"journal_issn":"ISSN 2165-0497","other_identifiers":["Journal ID: ISSN 2165-0497; e03165-23"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318759"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318759"}]}, {"osti_id":"2318753","title":"Engineered mRNA–ribosome fusions for facile biosynthesis of selenoproteins","doi":"10.1073/pnas.2321700121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 11","description":"<p>\n Ribosomes are often used in synthetic biology as a tool to produce desired proteins with enhanced properties or entirely new functions. However, repurposing ribosomes for producing designer proteins is challenging due to the limited number of engineering solutions available to alter the natural activity of these enzymes. In this study, we advance ribosome engineering by describing a novel strategy based on functional fusions of ribosomal RNA (rRNA) with messenger RNA (mRNA). Specifically, we create an mRNA–ribosome fusion called RiboU, where the 16S rRNA is covalently attached to selenocysteine insertion sequence (SECIS), a regulatory RNA element found in mRNAs encoding selenoproteins. When SECIS sequences are present in natural mRNAs, they instruct ribosomes to decode UGA codons as selenocysteine (Sec, U) codons instead of interpreting them as stop codons. This enables ribosomes to insert Sec into the growing polypeptide chain at the appropriate site. Our work demonstrates that the SECIS sequence maintains its functionality even when inserted into the ribosome structure. As a result, the engineered ribosomes RiboU interpret UAG codons as Sec codons, allowing easy and site-specific insertion of Sec in a protein of interest with no further modification to the natural machinery of protein synthesis. To validate this approach, we use RiboU ribosomes to produce three functional target selenoproteins in\n <italic>Escherichia coli<\/italic>\n by site-specifically inserting Sec into the proteins’ active sites. Overall, our work demonstrates the feasibility of creating functional mRNA–rRNA fusions as a strategy for ribosome engineering, providing a novel tool for producing Sec-containing proteins in live bacterial cells.\n <\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"11","journal_volume":"121","format":"Medium: X","authors":["Thaenert, Anna [Department of Molecular Biophysics &, Biochemistry, Yale University, New Haven, CT 06511]","Sevostyanova, Anastasia [Department of Molecular Biophysics &, Biochemistry, Yale University, New Haven, CT 06511]","Chung, Christina Z. [Department of Molecular Biophysics &, Biochemistry, Yale University, New Haven, CT 06511]","Vargas-Rodriguez, Oscar [Department of Molecular Biophysics &, Biochemistry, Yale University, New Haven, CT 06511]","Melnikov, Sergey V. [Biosciences Institute, Newcastle University, Newcastle upon Tyne NE2 4HH, United Kingdom, Biosciences Institute, Newcastle University Medical School, Newcastle upon Tyne NE2 4HH, United Kingdom]","Söll, Dieter [Department of Molecular Biophysics &, Biochemistry, Yale University, New Haven, CT 06511, Department of Chemistry, Yale University, New Haven, CT 06511] (ORCID:0000000230778986)"],"article_type":"Published Article","doe_contract_number":"FG02-98ER20311","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2321700121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318753"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318753"}]}, {"osti_id":"2305414","title":"Structural chemistry of penta- and hexanitrato thorium(\n <scp>iv<\/scp>\n ) complexes isolated using N–H donors","doi":"10.1039/D3CE01319G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: CrystEngComm Journal Volume: 26 Journal Issue: 10","description":"<p>\n Fifteen Th(\n <sc>iv<\/sc>\n )–nitrate compounds, consisting of [Th(NO\n <sub>3<\/sub>\n )\n <sub>5<\/sub>\n (H\n <sub>2<\/sub>\n O)\n <sub>2<\/sub>\n ]\n <sup>1−<\/sup>\n or [Th(NO\n <sub>3<\/sub>\n )\n <sub>6<\/sub>\n ]\n <sup>2−<\/sup>\n units, were isolated from aqueous solution using a series of N–H heterocycles.\n <\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"CrystEngComm","journal_issue":"10","journal_volume":"26","format":"Medium: X; Size: p. 1380-1398","authors":["Shore, Madeline C. [Department of Chemistry, Georgetown University, Washington, D.C. 20057, USA] (ORCID:0000000220903595)","Nicholas, Aaron D. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, WA, 99354, USA] (ORCID:0000000190032126)","Vasiliu, Monica [Department of Chemistry and Biochemistry, The University of Alabama, Tuscaloosa, Alabama 35487, USA] (ORCID:0000000175734787)","Edwards, Kyle C. [Department of Chemistry and Biochemistry, The University of Alabama, Tuscaloosa, Alabama 35487, USA]","de Melo, Gabriel F. [Department of Chemistry and Biochemistry, The University of Alabama, Tuscaloosa, Alabama 35487, USA]","Bertke, Jeffery A. [Department of Chemistry, Georgetown University, Washington, D.C. 20057, USA] (ORCID:0000000234195163)","Dixon, David A. [Department of Chemistry and Biochemistry, The University of Alabama, Tuscaloosa, Alabama 35487, USA] (ORCID:0000000294920056)","Knope, Karah E. [Department of Chemistry, Georgetown University, Washington, D.C. 20057, USA] (ORCID:000000025690715X)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1466-8033","other_identifiers":["Journal ID: ISSN 1466-8033; CRECF4"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305414"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305414"}]}, {"osti_id":"2323277","title":"Analysis of Near-Field Magnetic Responses on ZrTe<sub>5<\/sub> through Cryogenic Magneto-THz Nano-Imaging","report_number":"IS-J-11,279","doi":"10.3390/instruments8010021","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Instruments; Journal Volume: 8; Journal Issue: 1","description":"One manifestation of light-Weyl fermion interaction is the emergence of chiral magnetic effects under magnetic fields. Probing real space magnetic responses at terahertz (THz) scales is challenging but highly desired, as the local responses are less affected by the topologically trivial inhomogeneity that is ubiquitous in spatially averaged measurements. Here, we implement a cryogenic THz microscopy instrument under a magnetic field environment—a task only recently achieved. We explore the technical approach of this system and characterize the magnetic field’s influence on our AFM operation by statistical noise analysis. We find evidence for local near-field spatial variations in the topological semimetal ZrTe<sub>5<\/sub> up to a 5-Tesla magnetic field and obtain near-field THz spectra to discuss their implications for future studies on the chiral magnetic effect.","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"MDPI","journal_name":"Instruments","journal_issue":"1","journal_volume":"8","format":"Medium: ED; Size: Article No. 21","authors":["Haeuser, Samuel [Iowa State Univ., Ames, IA (United States); Ames Laboratory (AMES), Ames, IA (United States)] (ORCID:0000000342625538)","Kim, Richard J. [Ames Laboratory (AMES), Ames, IA (United States)] (ORCID:0000000242449653)","Park, Joong-Mok [Ames Laboratory (AMES), Ames, IA (United States)]","Chan, Randall K. [Iowa State Univ., Ames, IA (United States); Ames Laboratory (AMES), Ames, IA (United States)] (ORCID:0009000963688918)","Imran, Muhammad [Ames Laboratory (AMES), Ames, IA (United States)]","Koschny, Thomas [Iowa State Univ., Ames, IA (United States); Ames Laboratory (AMES), Ames, IA (United States)] (ORCID:0000000349609266)","Wang, Jigang [Iowa State Univ., Ames, IA (United States); Ames Laboratory (AMES), Ames, IA (United States)] (ORCID:0000000261594119)"],"subjects":["36 MATERIALS SCIENCE","near-field","scanning near-field optical microscope (SNOM)","THz-SNOM","cryogenic","magnetic"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358; AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 2410-390X","other_identifiers":["Journal ID: ISSN 2410-390X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323277"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2323277"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323277"}]}, {"osti_id":"2318762","title":"Making Plasticized Polymer Electrolytes Stable Against Sodium Metal for High‐Energy Solid‐State Sodium Batteries","doi":"10.1002/anie.202319427","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Angewandte Chemie (International Edition)","description":"<title>Abstract<\/title>\n <p>\n Solid polymer electrolytes based on plastic crystals are promising for solid‐state sodium metal (Na\n <sup>0<\/sup>\n ) batteries, yet their practicality has been hindered by the notorious Na\n <sup>0<\/sup>\n ‐electrolyte interface instability issue, the underlying cause of which remains poorly understood. Here, by leveraging a model plasticized polymer electrolyte based on conventional succinonitrile plastic crystals, we uncover its failure origin in Na\n <sup>0<\/sup>\n batteries is associated with the formation of a thick and non‐uniform solid electrolyte interphase (SEI) and whiskery Na\n <sup>0<\/sup>\n nucleation/growth. Furthermore, we design a new additive‐embedded plasticized polymer electrolyte to manipulate the Na\n <sup>0<\/sup>\n deposition and SEI formulation. For the first time, we demonstrate that introducing fluoroethylene carbonate (FEC) additive into the succinonitrile‐plasticized polymer electrolyte can effectively protect Na\n <sup>0<\/sup>\n against interfacial corrosion by facilitating the growth of dome‐like Na\n <sup>0<\/sup>\n with thin, amorphous, and fluorine‐rich SEIs, thus enabling significantly improved performances of Na//Na symmetric cells (1,800 h at 0.5 mA cm\n <sup>−2<\/sup>\n ) and Na//Na\n <sub>3<\/sub>\n V\n <sub>2<\/sub>\n (PO\n <sub>4<\/sub>\n )\n <sub>3<\/sub>\n full cells (93.0 % capacity retention after 1,200 cycles at 1 C rate in coin cells and 93.1 % capacity retention after 250 cycles at C/3 in pouch cells at room temperature). Our work provides valuable insights into the interfacial failure of plasticized polymer electrolytes and offers a promising solution to resolving the interfacial instability issue.\n <\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Angewandte Chemie (International Edition)","format":"Medium: X","authors":["Zou, Peichao [Department of Physics and Astronomy University of California Irvine California 92697 United States] (ORCID:0000000301487482)","Wang, Chunyang [Department of Physics and Astronomy University of California Irvine California 92697 United States]","He, Yubin [Department of Physics and Astronomy University of California Irvine California 92697 United States]","Xin, Huolin L. [Department of Physics and Astronomy University of California Irvine California 92697 United States] (ORCID:000000026521868X)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"SC0021204","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1433-7851","other_identifiers":["Journal ID: ISSN 1433-7851; e202319427"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318762"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318762"}]}, {"osti_id":"2318760","title":"Making Plasticized Polymer Electrolytes Stable Against Sodium Metal for High‐Energy Solid‐State Sodium Batteries","doi":"10.1002/ange.202319427","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Angewandte Chemie","description":"<title>Abstract<\/title>\n <p>\n Solid polymer electrolytes based on plastic crystals are promising for solid‐state sodium metal (Na\n <sup>0<\/sup>\n ) batteries, yet their practicality has been hindered by the notorious Na\n <sup>0<\/sup>\n ‐electrolyte interface instability issue, the underlying cause of which remains poorly understood. Here, by leveraging a model plasticized polymer electrolyte based on conventional succinonitrile plastic crystals, we uncover its failure origin in Na\n <sup>0<\/sup>\n batteries is associated with the formation of a thick and non‐uniform solid electrolyte interphase (SEI) and whiskery Na\n <sup>0<\/sup>\n nucleation/growth. Furthermore, we design a new additive‐embedded plasticized polymer electrolyte to manipulate the Na\n <sup>0<\/sup>\n deposition and SEI formulation. For the first time, we demonstrate that introducing fluoroethylene carbonate (FEC) additive into the succinonitrile‐plasticized polymer electrolyte can effectively protect Na\n <sup>0<\/sup>\n against interfacial corrosion by facilitating the growth of dome‐like Na\n <sup>0<\/sup>\n with thin, amorphous, and fluorine‐rich SEIs, thus enabling significantly improved performances of Na//Na symmetric cells (1,800 h at 0.5 mA cm\n <sup>−2<\/sup>\n ) and Na//Na\n <sub>3<\/sub>\n V\n <sub>2<\/sub>\n (PO\n <sub>4<\/sub>\n )\n <sub>3<\/sub>\n full cells (93.0 % capacity retention after 1,200 cycles at 1 C rate in coin cells and 93.1 % capacity retention after 250 cycles at C/3 in pouch cells at room temperature). Our work provides valuable insights into the interfacial failure of plasticized polymer electrolytes and offers a promising solution to resolving the interfacial instability issue.\n <\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Angewandte Chemie","format":"Medium: X","authors":["Zou, Peichao [Department of Physics and Astronomy University of California Irvine California 92697 United States] (ORCID:0000000301487482)","Wang, Chunyang [Department of Physics and Astronomy University of California Irvine California 92697 United States]","He, Yubin [Department of Physics and Astronomy University of California Irvine California 92697 United States]","Xin, Huolin L. [Department of Physics and Astronomy University of California Irvine California 92697 United States] (ORCID:000000026521868X)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"SC0021204","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0044-8249","other_identifiers":["Journal ID: ISSN 0044-8249; e202319427"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318760"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318760"}]}, {"osti_id":"2323985","title":"Predicting the Rate of Degradation Related to Oxygen Electrode Delamination in Solid Oxide-Ion Electrolyzers","doi":"10.1149/1945-7111/ad3414","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society","description":"<title>Abstract<\/title>\n <p>One of the leading causes for the performance degradation in H2-producing solid oxide electrolytic cells (SOECs) is the gradual delamination of oxygen electrode (OE) from the electrolyte under a strong anodic polarization. Identification of the key factor that controls the rate of OE delamination is of paramount importance to achieve long-term stable operation of SOECs. Here we show from thousands of hours of testing data that the exchange current density (io) of OE can be leveraged as a predictor for the rate of delamination. To obtain io, we apply DC-biased electrochemical impedance spectroscopy on a three-electrode symmetrical cell to measure polarization resistance (Rp) of OE as a function of current density (i) and time (t). The collected Rp-i-t raw data are then converted to overpotential ()-i-t, from which io is extracted from the “low-field” approximation. An analytical relationship between io and time-to-delamination (TTD) is further established from the established io-i-t relationship. We show that under a constant anodic polarization current density i, the greater the ratio i/io, the faster the delamination. Therefore, we conclude that the exchange current density of an OE, io, can be used to predict the rate of OE degradation in solid oxide-ion electrolyzers.<\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"Journal of the Electrochemical Society","format":"Medium: X","authors":["Wen, Yeting","Huang, Kevin (ORCID:0000000212324593)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323985"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323985"}]}, {"osti_id":"2323957","title":"Integral Analysis of the Effect of Material Dimension and Composition on Tokamak Neutronics","doi":"10.1088/1741-4326/ad33ee","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion","description":"<title>Abstract<\/title>\n <p>The neutronics performance of a tokamak has been identified as an important factor in designing a fusion power plant. The design of the tokamak should not only meet operational parameters such as sufficient tritium breeding, but also safety parameters such as low structural material activation. This paper investigates the impacts of the neutronics metrics for the ARC-class tokamak, a compact tokamak with an immersion blanket, by perturbing the first five layers of structural material - first wall, inner vacuum vessel, coolant salt channel, neutron multiplier, and outer vacuum vessel. The goal of this work is to provide insight into shaping and scaling the flux on each layer to obtain optimized operational and safety metrics through quantification of the responses from each perturbation. Results show that increased first wall thickness can increase the tritium breeding ratio (TBR) in specific configurations with high Li6 enrichments and that vacuum vessels decrease TBR for low-Li6 enrichment configurations. It was also found that the neutron multiplier can either increase or decrease TBR depending on the configuration. The response of metrics to the change in layer thickness and enrichment also varies depending on the vacuum vessel material. The integral impacts of Li6 enrichment, layer thicknesses, and vacuum vessel material choice are investigated and presented in this paper.<\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","format":"Medium: X","authors":["Bae, Jin Whan (ORCID:0000000326548907)","Young, Davin","Borowiec, Katarzyna (ORCID:0000000335911739)","Badalassi, Vittorio"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323957"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323957"}]}, {"osti_id":"2283486","title":"Penetrant-induced plasticization in microporous polymer membranes","doi":"10.1039/D3CS00235G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Chemical Society Reviews Journal Volume: 53 Journal Issue: 5","description":"<p>This review provides a comprehensive overview on the effects of plasticization on microporous polymer membranes, as well as strategies to mitigate this phenomenon for gas separation applications.<\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Chemical Society Reviews","journal_issue":"5","journal_volume":"53","format":"Medium: X; Size: p. 2435-2529","authors":["Mizrahi Rodriguez, Katherine [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA] (ORCID:0000000253663743)","Lin, Sharon [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA] (ORCID:000000017566482X)","Wu, Albert X. [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA] (ORCID:0000000348232831)","Storme, Kayla R. [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA]","Joo, Taigyu [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA] (ORCID:0000000225038764)","Grosz, Aristotle F. [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA]","Roy, Naksha [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA] (ORCID:0000000224410851)","Syar, Duha [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA]","Benedetti, Francesco M. [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA] (ORCID:0000000226216649)","Smith, Zachary P. [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA] (ORCID:0000000296305890)"],"article_type":"Published Article","doe_contract_number":"SC0019087","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0306-0012","other_identifiers":["Journal ID: ISSN 0306-0012; CSRVBR"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283486"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283486"}]}, {"osti_id":"2323929","title":"CMaize: Simplifying inter-package modularity from the build up","report_number":"IS-J 11,288","doi":"10.1063/5.0196384","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Chemical Physics; Journal Volume: 160; Journal Issue: 9","description":"There is a growing desire for inter-package modularity within the chemistry software community to reuse encapsulated code units across a variety of software packages. Most comprehensive efforts at achieving inter-package modularity will quickly run afoul of a very practical problem, being able to cohesively build the modules. Writing and maintaining build systems has long been an issue for many scientific software packages that rely on compiled languages such as C/C++. The push for inter-package modularity compounds this issue by additionally requiring binary artifacts from disparate developers to interoperate at a binary level. Thankfully, the de facto build tool for C/C++, CMake, is more than capable of supporting the myriad of edge cases that complicate writing robust build systems. Unfortunately, writing and maintaining a robust CMake build system can be a laborious endeavor because CMake provides few abstractions to aid the developer. The need to significantly simplify the process of writing robust CMake-based build systems, especially in inter-package builds, motivated us to write CMaize. In addition to describing the architecture and design of CMaize, the article also demonstrates how CMaize is used in production-level software.","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","journal_name":"Journal of Chemical Physics","journal_issue":"9","journal_volume":"160","format":"Medium: ED","authors":["Crandall, Zachery [Chemical and Biological Sciences, Ames National Laboratory 1 , Ames, Iowa 50011, USA;Department of Chemistry, Iowa State University 2 , Ames, Iowa 50011, USA] (ORCID:0000000331619378)","Windus, Theresa L. [Chemical and Biological Sciences, Ames National Laboratory 1 , Ames, Iowa 50011, USA;Department of Chemistry, Iowa State University 2 , Ames, Iowa 50011, USA] (ORCID:0000000160653167)","Richard, Ryan M. [Chemical and Biological Sciences, Ames National Laboratory 1 , Ames, Iowa 50011, USA;Department of Chemistry, Iowa State University 2 , Ames, Iowa 50011, USA] (ORCID:0000000342355179)"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358, 17-SC20-SC","subjects":[],"orgs_sponsor":[{"name":"U.S. Department of Energy, USDOE Office of Science (SC)"}],"sponsor_orgs":["U.S. Department of Energy, USDOE Office of Science (SC)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 0021-9606","other_identifiers":["Journal ID: ISSN 0021-9606"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323929"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323929"}]}, {"osti_id":"2318617","title":"Full-waveform tomography reveals iron spin crossover in Earth’s lower mantle","doi":"10.1038/s41467-024-46040-1","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Three-dimensional models of Earth’s seismic structure can be used to identify temperature-dependent phenomena, including mineralogical phase and spin transformations, that are obscured in 1-D spherical averages. Full-waveform tomography maps seismic wave-speeds inside the Earth in three dimensions, at a higher resolution than classical methods. By providing absolute wave speeds (rather than perturbations) and simultaneously constraining bulk and shear wave speeds over the same frequency range, it becomes feasible to distinguish variations in temperature from changes in composition or spin state. We present a quantitative joint interpretation of bulk and shear wave speeds in the lower mantle, using a recently published full-waveform tomography model. At all depths the diversity of wave speeds cannot be explained by an isochemical mantle. Between 1000 and 2500 km depth, hypothetical mantle models containing an electronic spin crossover in ferropericlase provide a significantly better fit to the wave-speed distributions, as well as more realistic temperatures and silica contents, than models without a spin crossover. Below 2500 km, wave speed distributions are explained by an enrichment in silica towards the core-mantle boundary. This silica enrichment may represent the fractionated remains of an ancient basal magma ocean.<\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Cobden, Laura (ORCID:0000000276419671)","Zhuang, Jingyi (ORCID:0000000229873644)","Lei, Wenjie","Wentzcovitch, Renata (ORCID:0000000156639426)","Trampert, Jeannot (ORCID:0000000258689491)","Tromp, Jeroen (ORCID:0000000227428299)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1961; PII: 46040"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318617"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318617"}]}, {"osti_id":"2318763","title":"Triplet‐Singlet Emission of d‐Block Metal Complexes Characterized by Spin‐Orbit Natural Transition Orbitals","doi":"10.1002/open.202300291","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: ChemistryOpen","description":"<title>Abstract<\/title>\n <p>\n Spin‐orbit natural transition orbital (SO‐NTO) methodology, recently developed in our group for complete and restricted active space (CAS/RAS) wavefunction calculations, is applied to analyze triplet‐to‐singlet emission in transition metal complexes. The lowest‐energy (longest‐wavelength) spin‐forbidden transition\n <inline-graphic href=\'graphic/open202300291-math-0001.png\' title=\'urn:x-wiley:21911363:media:open202300291:open202300291-math-0001\'/>\n is studied for for [Ir(pbt)2(acac)] and [Re(CO)4(pbt)] and the complexes [W(CO)4(bpy)] and [Mo(CO)4(bpy)]. For the latter complexes, spin‐forbidden transitions from higher spin‐triplet levels are additionally analyzed. SO‐NTOs are compared with spin‐free NTOs for the transitions under consideration. The major assignment of a spin‐forbidden transition is obtained from the spin‐free NTO analysis, while the source of intensity of the electronic transition is revealed by the SO‐NTOs.\n <\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"ChemistryOpen","format":"Medium: X","authors":["Zaichenko, A. [Department of Chemistry University at Buffalo State University of New York Buffalo NY 14260-3000 USA] (ORCID:0000000234862253)","Autschbach, J. [Department of Chemistry University at Buffalo State University of New York Buffalo NY 14260-3000 USA] (ORCID:000000019392877X)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2191-1363","other_identifiers":["Journal ID: ISSN 2191-1363; e202300291"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318763"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318763"}]}, {"osti_id":"2311217","title":"Predictions of delafossite-hosted honeycomb and kagome phases","doi":"10.1039/D3CP04039A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 10","description":"<p>\n Delafossites (ABO\n <sub>2<\/sub>\n ) are a class of layered materials with triangular A and B sub-lattices. Via high-throughput\n <italic>ab initio<\/italic>\n calculations over a wide range of delafossites, we identify delafossites that preferentially admit guest species in honeycomb or kagome arrangements to form new ternary compounds.\n <\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"10","journal_volume":"26","format":"Medium: X; Size: p. 8327-8333","authors":["Krogel, Jaron T. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA] (ORCID:000000021859181X)","Ichibha, Tomohiro [School of Information Science, JAIST, 1-1 Asahidai, Nomi, Ishikawa, 923-1292, Japan] (ORCID:0000000274554968)","Saritas, Kayahan [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA]","Yoon, Mina [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA]","Reboredo, Fernando A. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA]"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311217"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311217"}]}, {"osti_id":"2318741","title":"Active learning approach to simulations of strongly correlated matter with the ghost Gutzwiller approximation","report_number":"IS-J-11,280","doi":"10.1103/PhysRevResearch.6.013242","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Research Journal Volume: 6 Journal Issue: 1","description":"Quantum embedding (QE) methods such as the ghost Gutzwiller approximation (gGA) offer a powerful approach to simulating strongly correlated systems, but come with the computational bottleneck of computing the ground state of an auxiliary embedding Hamiltonian (EH) iteratively. In this work, we introduce an active learning (AL) framework integrated within the gGA to address this challenge. The methodology is applied to the single-band Hubbard model and results in a significant reduction in the number of instances where the EH must be solved. Through a principal component analysis (PCA), we find that the EH parameters form a low-dimensional structure that is largely independent of the geometric specifics of the systems, especially in the strongly correlated regime. Our AL strategy enables us to discover this low-dimensionality structure on the fly, while leveraging it for reducing the computational cost of gGA, laying the groundwork for more efficient simulations of complex strongly correlated materials.","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review Research","journal_issue":"1","journal_volume":"6","format":"Medium: X","authors":["Frank, Marius S. (ORCID:0000000183304226)","Artiukhin, Denis G. (ORCID:000000020130954X)","Lee, Tsung-Han","Yao, Yongxin (ORCID:0000000278305942)","Barros, Kipton","Christiansen, Ove","Lanatà, Nicola (ORCID:0000000300034908)"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY"],"article_type":"Published Article","doe_contract_number":"AC02-07CH11358; 1030691","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"Simons Foundation"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","USDOE Laboratory Directed Research and Development (LDRD) Program","Simons Foundation"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 2643-1564","other_identifiers":["Journal ID: ISSN 2643-1564; PPRHAI; 013242"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318741"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318741"}]}, {"osti_id":"2323968","title":"A numerical Poisson solver with improved radial solutions for a self-consistent locally scaled self-interaction correction method","doi":"10.1088/2516-1075/ad341e","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Electronic Structure","description":"<title>Abstract<\/title>\n <p>The universal applicability of density functional approximations is limited by the self-interaction error made by these functionals. Recently, a novel one-electron self-interaction-correction (SIC) method that uses an iso-orbital indicator to apply the SIC at each point in space by scaling the exchange-correlation and Coulomb energy densities was proposed. The LSIC method is exact for the one-electron densities, and unlike the well-known Perdew-Zunger SIC (PZSIC) method recovers the uniform electron gas limit of the uncorrected density functional approximation and reduces to PZSIC method as a special case when the isoorbital indicator is set to unity. Here, we present a numerical scheme that we have adopted to evaluate the Coulomb potential of the electron density scaled by the iso-orbital indicator required for the self-consistent LSIC calculations. After analyzing the behavior of the finite difference method and the green function solution to the radial part of the Poisson equation, we adopt a hybrid approach that uses the FDM method for the Coulomb potential due to the monopole and the GF for all higher order terms. The performance of the resultant hybrid method is assessed using a variety of systems. The results show improved accuracy compared to earlier numerical schemes. We also find that, even with a generic set of radial grid parameters, accurate energy differences can be obtained using a numerical Coulomb solver in standard density functional studies.<\/p>","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"IOP Publishing","journal_name":"Electronic Structure","format":"Medium: X","authors":["Chang, Po-Hao","Buschmann, Zachary","Zope, Rajendra R. (ORCID:0000000246266491)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2516-1075","other_identifiers":["Journal ID: ISSN 2516-1075"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323968"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323968"}]}, {"osti_id":"2318751","title":"The DESI One-percent Survey: Evidence for Assembly Bias from Low-redshift Counts-in-cylinders Measurements","doi":"10.3847/1538-4357/ad1ffd","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 963 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n We explore the galaxy-halo connection information that is available in low-redshift samples from the early data release of the Dark Energy Spectroscopic Instrument (DESI). We model the halo occupation distribution (HOD) from\n <italic>z<\/italic>\n = 0.1 to 0.3 using Survey Validation 3 (SV3; a.k.a., the One-Percent Survey) data of the DESI Bright Galaxy Survey. In addition to more commonly used metrics, we incorporate counts-in-cylinders (CiC) measurements, which drastically tighten HOD constraints. Our analysis is aided by the Python package,\n <monospace>galtab<\/monospace>\n , which enables the rapid, precise prediction of CiC for any HOD model available in\n <monospace>halotools<\/monospace>\n . This methodology allows our Markov chains to converge with much fewer trial points, and enables even more drastic speedups due to its GPU portability. Our HOD fits constrain characteristic halo masses tightly and provide statistical evidence for assembly bias, especially at lower luminosity thresholds: the HOD of central galaxies in\n <italic>z<\/italic>\n ∼ 0.15 samples with limiting absolute magnitude\n <italic>M<\/italic>\n <sub>\n <italic>r<\/italic>\n <\/sub>\n < −20.0 and\n <italic>M<\/italic>\n <sub>\n <italic>r<\/italic>\n <\/sub>\n < −20.5 samples is positively correlated with halo concentration with a significance of 99.9% and 99.5%, respectively. Our models also favor positive central assembly bias for the brighter\n <italic>M<\/italic>\n <sub>\n <italic>r<\/italic>\n <\/sub>\n < −21.0 sample at\n <italic>z<\/italic>\n ∼ 0.25 (94.8% significance), but there is no significant evidence for assembly bias with the same luminosity threshold at\n <italic>z<\/italic>\n ∼ 0.15. We provide our constraints for each threshold sample’s characteristic halo masses, assembly bias, and other HOD parameters. These constraints are expected to be significantly tightened with future DESI data, which will span an area 100 times larger than that of SV3.\n <\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"2","journal_volume":"963","format":"Medium: X; Size: Article No. 116","authors":["Pearl, Alan N. (ORCID:0000000198209619)","Zentner, Andrew R. (ORCID:0000000264437186)","Newman, Jeffrey A. (ORCID:0000000186842222)","Bezanson, Rachel (ORCID:0000000150638254)","Wang, Kuan (ORCID:0000000176902260)","Moustakas, John (ORCID:0000000227334559)","Aguilar, Jessica N. (ORCID:000000030822452X)","Ahlen, Steven (ORCID:0000000160987247)","Brooks, David (ORCID:0000000284585047)","Claybaugh, Todd","Cole, Shaun (ORCID:0000000259547903)","Dawson, Kyle (ORCID:0000000205533805)","de la Macorra, Axel (ORCID:0000000217691640)","Doel, Peter","Forero-Romero, Jamie E. (ORCID:0000000228903725)","Gontcho A Gontcho, Satya (ORCID:000000033142233X)","Honscheid, Klaus","Landriau, Martin (ORCID:0000000318388528)","Manera, Marc (ORCID:0000000349628934)","Martini, Paul (ORCID:0000000201944017)","Meisner, Aaron (ORCID:0000000211257384)","Miquel, Ramon (ORCID:0000000266104836)","Nie, Jundan (ORCID:0000000206445727)","Percival, Will (ORCID:0000000206445727)","Prada, Francisco (ORCID:0000000171458674)","Rezaie, Mehdi (ORCID:0000000155897116)","Rossi, Graziano","Sanchez, Eusebio (ORCID:0000000296468198)","Schubnell, Michael","Tarlé, Gregory (ORCID:0000000317040781)","Weaver, Benjamin A.","Zhou, Zhimin (ORCID:0000000241350977)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231; SC0007914","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318751"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318751"}]}, {"osti_id":"2317702","title":"Torsional force microscopy of van der Waals moirés and atomic lattices","doi":"10.1073/pnas.2314083121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 10","description":"<p>In a stack of atomically thin van der Waals layers, introducing interlayer twist creates a moiré superlattice whose period is a function of twist angle. Changes in that twist angle of even hundredths of a degree can dramatically transform the system’s electronic properties. Setting a precise and uniform twist angle for a stack remains difficult; hence, determining that twist angle and mapping its spatial variation is very important. Techniques have emerged to do this by imaging the moiré, but most of these require sophisticated infrastructure, time-consuming sample preparation beyond stack synthesis, or both. In this work, we show that torsional force microscopy (TFM), a scanning probe technique sensitive to dynamic friction, can reveal surface and shallow subsurface structure of van der Waals stacks on multiple length scales: the moirés formed between bi-layers of graphene and between graphene and hexagonal boron nitride (hBN) and also the atomic crystal lattices of graphene and hBN. In TFM, torsional motion of an Atomic Force Microscope (AFM) cantilever is monitored as it is actively driven at a torsional resonance while a feedback loop maintains contact at a set force with the sample surface. TFM works at room temperature in air, with no need for an electrical bias between the tip and the sample, making it applicable to a wide array of samples. It should enable determination of precise structural information including twist angles and strain in moiré superlattices and crystallographic orientation of van der Waals flakes to support predictable moiré heterostructure fabrication.<\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"10","journal_volume":"121","format":"Medium: X","authors":["Pendharkar, Mihir [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305] (ORCID:0000000318576131)","Tran, Steven J. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, Department of Physics, Stanford University, Stanford, CA 94305]","Zaborski, Jr., Gregory [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305]","Finney, Joe [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, Department of Physics, Stanford University, Stanford, CA 94305] (ORCID:0000000171669754)","Sharpe, Aaron L. [Materials Physics Department, Sandia National Laboratories, Livermore, CA 94550]","Kamat, Rupini V. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, Department of Physics, Stanford University, Stanford, CA 94305]","Kalantre, Sandesh S. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, Department of Physics, Stanford University, Stanford, CA 94305]","Hocking, Marisa [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305]","Bittner, Nathan J. [Independent Researcher, Palo Alto, CA 94305]","Watanabe, Kenji [Research Center for Electronic and Optical Materials, National Institute for Materials Science, Tsukuba 305-0044, Japan] (ORCID:0000000337018119)","Taniguchi, Takashi [Research Center for Materials Nanoarchitectonics, National Institute for Materials Science, Tsukuba 305-0044, Japan]","Pittenger, Bede [Bruker Nano Surfaces, AFM Unit, Santa Barbara, CA 93117]","Newcomb, Christina J. [Stanford Nano Shared Facilities, Stanford University, Stanford, CA 94305]","Kastner, Marc A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, Department of Physics, Stanford University, Stanford, CA 94305, Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139] (ORCID:0000000176415438)","Mannix, Andrew J. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305]","Goldhaber-Gordon, David [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, Department of Physics, Stanford University, Stanford, CA 94305]"],"article_type":"Published Article","doe_contract_number":"AC02-76SF00515; NA0003525","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2314083121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317702"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317702"}]}, {"osti_id":"2318615","title":"A chemical kinetics theory for interpreting the non-monotonic temperature dependence of enzymatic reactions","doi":"10.5194/bg-21-1061-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Biogeosciences (Online) Journal Volume: 21 Journal Issue: 5","description":"<p>Abstract. One notable observation of enzymatic chemical reactions is that, for a given abundance of enzymes and substrates, temperature increases cause reaction rates to first increase consistent with the Arrhenius relationship, then plateau, and finally fall off quickly to zero at high temperatures. While many mathematical functions have been used to describe this pattern, we here propose a chemical kinetics theory which successfully replicates this observation and provides insights into the processes responsible for these dynamics. The chemical kinetics theory combines the law of mass action, von Smoluchowski\'s diffusion-limited chemical reaction theory, and Eyring\'s transition state theory. This new theory reveals that the thermally reversible enzyme denaturation ensured by the ceaseless thermal motion of molecules and ions in an enzyme solution explains the plateau and subsequent decrease in chemical reaction rates with increasing temperature. The temperature-dependent affinity parameter (K) that relates enzymes and substrates through their binding also affects the shape of the emergent temperature response. We demonstrate that with an increase in substrate availability, K shifts the optimal temperature, where reaction rates plateau, towards higher values. Further, we show that the chemical kinetics theory accurately represents 12 sets of published enzyme assay data and includes the popular mechanistic model by Ratkowsky et al. (2005) as a special case. Given its good performance and solid theoretical underpinning, we believe this new theory will facilitate the construction of more mechanistic-based environmental biogeochemical models.<\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Biogeosciences (Online)","journal_issue":"5","journal_volume":"21","format":"Medium: X; Size: p. 1061-1070","authors":["Tang, Jinyun","Riley, William J. (ORCID:0000000246152304)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1726-4189","other_identifiers":["Journal ID: ISSN 1726-4189"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318615"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318615"}]}, {"osti_id":"2318588","title":"Variance reduction via simultaneous importance sampling and control variates techniques using vegas","doi":"10.21468/SciPostPhysCodeb.28","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: SciPost Physics Codebases","description":"<p>Monte Carlo (MC) integration is an important calculational technique in the physical sciences. Practical considerations require that the calculations are performed as accurately as possible for a given set of computational resources. To improve the accuracy of MC integration, a number of useful variance reduction algorithms have been developed, including importance sampling and control variates. In this work, we demonstrate how these two methods can be applied simultaneously, thus combining their benefits. We provide a python wrapper, named CoVVVR, which implements our approach in the VEGAS program. The improvements are quantified with several benchmark examples from the literature.<\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Stichting SciPost","journal_name":"SciPost Physics Codebases","format":"Medium: X","authors":["Shyamsundar, Prasanth","Scott, Jacob L.","Mrenna, Stephen","Matchev, Konstantin T.","Kong, Kyoungchul"],"article_type":"Published Article","doe_contract_number":"DEAC02-07CH11359; 0000240323; SC0019219; SC0022148; SC0024407; SC0024673","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2949-804X","other_identifiers":["Journal ID: ISSN 2949-804X; 28"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318588"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318588"}]}, {"osti_id":"2318569","title":"Topological Spin Textures in an Insulating van der Waals Ferromagnet","doi":"10.1002/adma.202311949","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Materials","description":"<title>Abstract<\/title>\n <p>\n Generation and control of topological spin textures constitutes one of the most exciting challenges of modern spintronics given their potential applications in information storage technologies. Of particular interest are magnetic insulators, which due to low damping, absence of Joule heating and reduced dissipation can provide energy‐efficient spin‐textures platform. Here, it is demonstrated that the interplay between sample thickness, external magnetic fields, and optical excitations can generate a prolific paramount of spin textures, and their coexistence in insulating CrBr\n <sub>3<\/sub>\n van der Waals (vdW) ferromagnets. Using high‐resolution magnetic force microscopy and large‐scale micromagnetic simulation methods, the existence of a large region in\n <italic>T‐B<\/italic>\n phase diagram is demonstrated where different stripe domains, skyrmion crystals, and magnetic domains exist and can be intrinsically selected or transformed to each‐other via a phase‐switch mechanism. Lorentz transmission electron microscopy unveils the mixed chirality of the magnetic textures that are of Bloch‐type at given conditions but can be further manipulated into Néel‐type or hybrid‐type via thickness‐engineering. The topological phase transformation between the different magnetic objects can be further inspected by standard photoluminescence optical probes resolved by circular polarization indicative of an existence of exciton‐skyrmion coupling mechanism. The findings identify vdW magnetic insulators as a promising framework of materials for the manipulation and generation of highly ordered skyrmion lattices relevant for device integration at the atomic level.\n <\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Materials","format":"Medium: X","authors":["Grebenchuk, Sergey [Institute for Functional Intelligent Materials National University of Singapore Singapore 117544 Singapore, Department of Materials Science and Engineering National University of Singapore Singapore 117575 Singapore]","McKeever, Conor [Institute for Condensed Matter Physics and Complex Systems School of Physics and Astronomy The University of Edinburgh Edinburgh EH9 3FD UK]","Grzeszczyk, Magdalena [Institute for Functional Intelligent Materials National University of Singapore Singapore 117544 Singapore]","Chen, Zhaolong [Institute for Functional Intelligent Materials National University of Singapore Singapore 117544 Singapore]","Šiškins, Makars [Institute for Functional Intelligent Materials National University of Singapore Singapore 117544 Singapore]","McCray, Arthur R. C. [Materials Science Division Argonne National Laboratory Lemont IL 60439 USA, Applied Physics Program Northwestern University Evanston IL 60208 USA]","Li, Yue [Materials Science Division Argonne National Laboratory Lemont IL 60439 USA]","Petford‐Long, Amanda K. [Materials Science Division Argonne National Laboratory Lemont IL 60439 USA, Department of Materials Science and Engineering Northwestern University Evanston IL 60208 USA]","Phatak, Charudatta M. [Materials Science Division Argonne National Laboratory Lemont IL 60439 USA, Department of Materials Science and Engineering Northwestern University Evanston IL 60208 USA]","Ruihuan, Duan [School of Materials Science and Engineering Nanyang Technological University Singapore 639798 Singapore, CINTRA CNRS/NTU/THALES, UMI 3288, Research Techno Plaza Nanyang Technological University Singapore 639798 Singapore]","Zheng, Liu [School of Materials Science and Engineering Nanyang Technological University Singapore 639798 Singapore]","Novoselov, Kostya S. [Institute for Functional Intelligent Materials National University of Singapore Singapore 117544 Singapore, Department of Materials Science and Engineering National University of Singapore Singapore 117575 Singapore]","Santos, Elton J. G. [Institute for Condensed Matter Physics and Complex Systems School of Physics and Astronomy The University of Edinburgh Edinburgh EH9 3FD UK, Higgs Centre for Theoretical Physics The University of Edinburgh Edinburgh EH9 3FD UK, Donostia International Physics Center (DIPC) 20018 Donostia‐San Sebastián Basque Country Spain]","Koperski, Maciej [Institute for Functional Intelligent Materials National University of Singapore Singapore 117544 Singapore, Department of Materials Science and Engineering National University of Singapore Singapore 117575 Singapore] (ORCID:000000028301914X)"],"article_type":"Published Article","doe_contract_number":"DE‐AC02‐06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0935-9648","other_identifiers":["Journal ID: ISSN 0935-9648; 2311949"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318569"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318569"}]}, {"osti_id":"2279077","title":"Are topological insulators promising thermoelectrics?","doi":"10.1039/D3MH01930F","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Materials Horizons Journal Volume: 11 Journal Issue: 5","description":"<p>Simply put, yes. Band inversion-driven warping makes topological insulators fascinating prospects for thermoelectric applications.<\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Materials Horizons","journal_issue":"5","journal_volume":"11","format":"Medium: X; Size: p. 1188-1198","authors":["Toriyama, Michael Y. [Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208, USA] (ORCID:0000000225301390)","Snyder, G. Jeffrey [Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208, USA] (ORCID:0000000314148682)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2051-6347","other_identifiers":["Journal ID: ISSN 2051-6347; MHAOAL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2279077"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2279077"}]}, {"osti_id":"2320372","title":"Wide-angle spectral filter for energy-saving windows designed by quantum annealing-enhanced active learning","doi":"10.1016/j.xcrp.2024.101847","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Cell Reports Physical Science; Journal Volume: 5","description":"Multi-band spectral filters that can transmit visible light but block UV and infrared light in the solar spectrum are applicable to energy-saving windows. However, such filters are usually designed to consider normal incident light only. Here, we report photonic structures allowing selective solar spectrum transmission in wide angles using a quantum-computing-enhanced active learning scheme, which includes machine learning, quantum annealing, and wave-optics simulation in an iterative loop. We experimentally demonstrate the optical characteristics of the photonic structure and its capability to reduce the temperature rise in an enclosure when combined with a thermal radiation layer (temperature reduction of 5.4°C–7.2°C and annual energy saving of ~97.5 MJ/m<sup>2<\/sup>). This structure can be incorporated into existing windows in buildings or automobiles to reduce cooling energy consumption, and the active learning scheme can be applied to design materials with complex properties in general.","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Elsevier","journal_name":"Cell Reports Physical Science","journal_volume":"5","format":"Medium: ED; Size: Article No. 101847","authors":["Kim, Seongmin [University of Notre Dame, IN (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000159063004)","Jung, Serang [Kyung Hee Univ., Seoul (Korea, Republic of)]","Bobbitt, Alexandria [University of Notre Dame, IN (United States)]","Lee, Eungkyu [Kyung Hee Univ., Seoul (Korea, Republic of)]","Luo, Tengfei [University of Notre Dame, IN (United States)] (ORCID:0000000339408786)"],"subjects":["42 ENGINEERING","wide-angle spectral filter","multi-band spectral selectivity","radiative cooling","quantum computing","active learning"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; RS-2023-00255442","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"National Research Foundation of Korea (NRF)"}],"sponsor_orgs":["USDOE Office of Science (SC)","National Research Foundation of Korea (NRF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2666-3864","other_identifiers":["Journal ID: ISSN 2666-3864"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320372"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2320372"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320372"}]}, {"osti_id":"2318576","title":"Measurement-driven large-eddy simulations of a diurnal cycle during a wake-steering field campaign","doi":"10.5194/wes-9-495-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Wind Energy Science (Online) Journal Volume: 9 Journal Issue: 3","description":"<p>Abstract. High-fidelity flow modeling with data assimilation enables accurate representation of the wind farm operating environment under realistic, nonstationary atmospheric conditions. Capturing the temporal evolution of the turbulent atmospheric boundary layer is critical to understanding the behavior of wind turbines under operating conditions with simultaneously varying inflow and control inputs. This paper has three parts: the identification of a case study during a field evaluation of wake steering; the development of a tailored mesoscale-to-microscale coupling strategy that resolved local flow conditions within a large-eddy simulation (LES), using observations that did not completely capture the wind and temperature fields throughout the simulation domain; and the application of this coupling strategy to validate high-fidelity aeroelastic predictions of turbine performance and wake interactions with and without wake steering. The case study spans 4.5 h after midnight local time, during which wake steering was toggled on and off five times, achieving yaw offset angles ranging from 0 to 17°. To resolve nonstationary nighttime conditions that exhibited shear instabilities, the turbulence field was evolved starting from the diurnal cycle of the previous day. These background conditions were then used to drive wind farm simulations with two different models: an LES with actuator disk turbines and a steady-state engineering wake model. Subsequent analysis identified two representative periods during which the up- and downstream turbines were most nearly aligned with the mean wind direction and had observed yaw offsets of 0 and 15°. Both periods corresponded to partial waking on the downstream turbine, which had errors in the LES-predicted power of 4 % and 6 %, with and without wake steering. The LES was also able to capture conditions during which an upstream turbine wake induced a speedup at a downstream turbine and increased power production by up to 13 %.<\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Wind Energy Science (Online)","journal_issue":"3","journal_volume":"9","format":"Medium: X; Size: p. 495-518","authors":["Quon, Eliot (ORCID:0000000284455840)"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Wind Energy Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Wind Energy Technologies Office"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2366-7451","other_identifiers":["Journal ID: ISSN 2366-7451"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318576"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318576"}]}, {"osti_id":"2318635","title":"Effect of THz-bandwidth incoherent laser radiation on bulk damage in potassium dihydrogen phosphate crystals","doi":"10.1038/s41598-024-55732-z","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Scientific Reports Journal Volume: 14 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>The laser-damage performance characteristics of potassium dihydrogen phosphate (KDP) samples under exposure to a distinctive broadband incoherent laser pulse are investigated. A laser system providing such pulses is intended to explore improved energy-coupling efficiency on the target in direct-drive inertial confinement fusion experiments and provides incoherent bandwidths as large as 10 THz in a nanosecond pulse. A consequence of this bandwidth is very rapid fluctuations in intensity capable of reaching maxima much larger than the average intensity within the pulse. A custom damage-test station has been built to perform measurements with broadband incoherent pulses in order to determine what effect these fast and high-intensity oscillations have on laser damage. A set of experiments under different bandwidth and beam configurations shows the effect to be minimal when probing bulk damage in KDP. Modeling indicates this behavior is supported by long electron-relaxation times compared to the source-field fluctuations, following excitation of individual electrons in the conduction band. The results help better understand the laser-induced–damage mechanisms in KDP, and its ability to operate in broadband temporally incoherent high-energy lasers that may be particularly suitable for future laser-fusion energy systems.<\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: X","authors":["Broege, Douglas","Spilatro, Michael","Duchateau, Guillaume","Dorrer, Christophe","Demos, Stavros G."],"article_type":"Published Article","doe_contract_number":"NA0004144","subjects":[],"orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; 5361; PII: 55732"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318635"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318635"}]}, {"osti_id":"2318584","title":"Quantifying sources of subseasonal prediction skill in CESM2","doi":"10.1038/s41612-024-00595-4","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: npj Climate and Atmospheric Science Journal Volume: 7 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Subseasonal prediction fills the gap between weather forecasts and seasonal outlooks. There is evidence that predictability on subseasonal timescales comes from a combination of atmosphere, land, and ocean initial conditions. Predictability from the land is often attributed to slowly varying changes in soil moisture and snowpack, while predictability from the ocean is attributed to sources such as the El Niño Southern Oscillation. Here we use a set of subseasonal reforecast experiments with CESM2 to quantify the respective roles of atmosphere, land, and ocean initial conditions on subseasonal prediction skill over land. These reveal that the majority of prediction skill for global surface temperature in weeks 3–4 comes from the atmosphere, while ocean initial conditions become important after week 4, especially in the Tropics. In the CESM2 subseasonal prediction system, the land initial state does not contribute to surface temperature prediction skill in weeks 3–6 and climatological land conditions lead to higher skill, disagreeing with our current understanding. However, land-atmosphere coupling is important in week 1. Subseasonal precipitation prediction skill also comes primarily from the atmospheric initial condition, except for the Tropics, where after week 4 the ocean state is more important.<\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"npj Climate and Atmospheric Science","journal_issue":"1","journal_volume":"7","format":"Medium: X","authors":["Richter, Jadwiga H. (ORCID:0000000170480781)","Glanville, Anne A.","King, Teagan (ORCID:0000000180318606)","Kumar, Sanjiv (ORCID:0000000204726074)","Yeager, Stephen G. (ORCID:0000000302689895)","Davis, Nicholas A. (ORCID:0000000256912020)","Duan, Yanan (ORCID:0000000191671675)","Fowler, Megan D. (ORCID:0000000276689655)","Jaye, Abby (ORCID:0000000349090492)","Edwards, Jim","Caron, Julie M. (ORCID:000000024370365X)","Dirmeyer, Paul A. (ORCID:0000000331581752)","Danabasoglu, Gokhan (ORCID:0000000346762732)","Oleson, Keith (ORCID:0000000200579900)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2397-3722","other_identifiers":["Journal ID: ISSN 2397-3722; 59; PII: 595"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318584"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318584"}]}, {"osti_id":"2323286","title":"MARS-F/K modeling of plasma response and fast ion losses due to RMP in KSTAR","doi":"10.1088/1741-4326/ad2fe8","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nuclear Fusion","description":"<title>Abstract<\/title>\n <p>The toroidal single-fluid magnetohydrodynamic (MHD) code MARS-F (Liu Y.Q. et al 2000 Phys. Plasmas 7 3681) and the MHD-kinetic hybrid code MARS-K (Liu Y.Q. et al 2008 Phys. Plasmas 15 112503) are utilized to study the plasma response to the n=1 (n is the toroidal mode number) resonant magnetic perturbation (RMP), applied to suppress the type-I edge localized mode (ELM) in a KSTAR discharge. Both the resistive-rotating and ideal-static plasma models identify strong screening of the resonant radial field harmonics of the applied RMP due to the plasma response, and predict a strong edge-peeling response of the plasma which is consistent with the optimal ELM control coil current configuration adopted in experiment. The RMP-induced radial displacement of the plasma, computed by the resistive-rotating plasma model, agrees reasonably well with that reconstructed from the measured data in the plasma core. Taking into account the drift kinetic response of fast ions, MARS-K hybrid modeling also finds quantitative agreement of the plasma core fluid pressure perturbation with experiment. Based on the MARS-F computed plasma response, a guiding-center orbit-tracing simulation finds about 0.3% of fast ion losses due the n=1 RMP in the KSTAR ELM control experiment considered. Most losses are associated with counter-current fast ions located near the plasma edge.<\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"IOP Science","journal_name":"Nuclear Fusion","format":"Medium: ED","authors":["Liu, Yueqiang [General Atomics, San Diego, CA (United States)] (ORCID:0000000281928411)","Yang, SeongMoo [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000312141268)","Kang, Jisung [National Fusion Research Institute, Daejeon (Korea, Republic of)] (ORCID:0000000298454646)","Van Blarcum, Jonathan [Univ. of Wisconsin, Madison, WI (United States)]","Choi, Minjun J. [National Fusion Research Institute, Daejeon (Korea, Republic of)] (ORCID:0000000228256484)","Frerichs, Heinke [Univ. of Wisconsin, Madison, WI (United States)] (ORCID:0000000235275106)","Kim, SangKyeun [Princeton Univ., NJ (United States)] (ORCID:0000000207018962)"],"subjects":["resonant magnetic perturbation","plasma response","fast ion losses","KSTAR"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0020298; FC02-04ER54698; FG02-95ER54309","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[{"name":"General Atomics, San Diego, CA (United States)"}],"research_orgs":["General Atomics, San Diego, CA (United States)"],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515; A30017"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323286"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2323286"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323286"}]}, {"osti_id":"2320337","title":"<em>Ab initio<\/em> property predictions of quinary solid solutions using small binary cells","report_number":"SAND-2024-02667J","doi":"10.1016/j.commatsci.2024.112924","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Computational Materials Science; Journal Volume: 238; Journal Issue: April 2024","description":"The Set of Small Ordered Structures (SSOS) approach is an ab initio technique for modelling random solid solutions in which many small structures are averaged so that their correlation functions match those of a desired composition. SSOS has been shown to be effective in reducing the cost of density functional theory calculations relative to other well-known techniques such as cluster expansions and special quasirandom structures for modelling solid solutions. Here in this work, we demonstrate that SSOS’s can be constructed using cells with only a subset of elements while still accurately modelling multi-component systems. Specifically, we show that small binary cells can effectively model two quinary high entropy alloys – NbTaTiHfZr and MoNbTaVW – accurately capturing properties such as formation energy, lattice parameters, elastic constants, and root-mean-square atomic displacements. Overall, this insight is useful for those looking to construct databases of such small structures for predicting the properties of multi-component solid solutions, as it greatly decreases the number of structures that needs to be considered.","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Elsevier","journal_name":"Computational Materials Science","journal_issue":"April 2024","journal_volume":"238","format":"Medium: ED; Size: Article No. 112924","authors":["Kuner, Matthew C. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Materials Sciences Division; University of California, Berkeley, CA (United States)] (ORCID:0000000282188558)","Rothchild, Eric Wilson [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Asta, Mark D. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Materials Sciences Division; University of California, Berkeley, CA (United States)] (ORCID:000000028968321X)","Chrzan, Daryl C. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Materials Sciences Division; University of California, Berkeley, CA (United States)]"],"subjects":["high-throughput density functional theory","HT-DFT","high entropy alloys","HEAs","random solid solutions","disorder","small structures","set of small ordered structures","SSOS"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525; AC02-05-CH11231; DGE-2146752; BES-ERCAP-0022838; 2138259; 2138286; 2138307; 2137603; 2138296","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","USDOE National Nuclear Security Administration (NNSA)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 0927-0256","other_identifiers":["Journal ID: ISSN 0927-0256"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320337"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320337"}]}, {"osti_id":"2318606","title":"Chelation-directed interface engineering of in-place self-cleaning membranes","doi":"10.1073/pnas.2319390121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 11","description":"<p>Water–energy sustainability will depend upon the rapid development of advanced pressure-driven separation membranes. Although energy-efficient, water-treatment membranes are constrained by ubiquitous fouling, which may be alleviated by engineering self-cleaning membrane interfaces. In this study, a metal-polyphenol network was designed to direct the armorization of catalytic nanofilms (ca. 18 nm) on inert polymeric membranes. The chelation-directed mineralized coating exhibits high polarity, superhydrophilicity, and ultralow adhesion to crude oil, enabling cyclable crude oil-in-water emulsion separation. The in-place flux recovery rate exceeded 99.9%, alleviating the need for traditional ex situ cleaning. The chelation-directed nanoarmored membrane exhibited 48-fold and 6.8-fold figures of merit for in-place self-cleaning regeneration compared to the control membrane and simple hydraulic cleaning, respectively. Precursor interaction mechanisms were identified by density functional theory calculations. Chelation-directed armorization offers promise for sustainable applications in catalysis, biomedicine, environmental remediation, and beyond.<\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"11","journal_volume":"121","format":"Medium: X","authors":["Yang, Xiaobin [Ministry of Industry and Information Technology Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, State Key Laboratory of Urban Water Resource and Environment, School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150001, People’s Republic of China] (ORCID:000900045431730X)","Li, Yangxue [Ministry of Industry and Information Technology Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, State Key Laboratory of Urban Water Resource and Environment, School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150001, People’s Republic of China]","Wu, Dan [Longjiang Environmental Protection Group CO., LTD, Harbin 150050, People’s Republic of China]","Yan, Linlin [School of Marine Science and Technology, State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, Weihai 264209, People’s Republic of China]","Guan, Jingzhu [Ministry of Industry and Information Technology Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, State Key Laboratory of Urban Water Resource and Environment, School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150001, People’s Republic of China]","Wen, Yajie [Ministry of Industry and Information Technology Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, State Key Laboratory of Urban Water Resource and Environment, School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150001, People’s Republic of China]","Bai, Yongping [Ministry of Industry and Information Technology Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, State Key Laboratory of Urban Water Resource and Environment, School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150001, People’s Republic of China]","Mamba, Bhekie B. [Institute for Nanotechnology and Water Sustainability, College of Engineering, Science and Technology, University of South Africa, Roodepoort 1709, South Africa]","Darling, Seth B. [Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, Advanced Materials for Energy-Water Systems Energy Frontier Research Center, Argonne National Laboratory, Lemont, IL 60439, Pritzker School of Molecular Engineering, University of Chicago, Chicago, IL 60637] (ORCID:0000000254616965)","Shao, Lu [Ministry of Industry and Information Technology Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, State Key Laboratory of Urban Water Resource and Environment, School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150001, People’s Republic of China] (ORCID:0000000241613861)"],"article_type":"Published Article","doe_contract_number":"AMEWS EFRC; JQ2020B001; HITTY-20190033","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2319390121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318606"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318606"}]}, {"osti_id":"2318586","title":"T–x diagrams for the\n <scp>\n CO\n <sub>2<\/sub>\n –H\n <sub>2<\/sub>\n O\n <\/scp>\n system: The importance of water content in\n <scp>\n CO\n <sub>2<\/sub>\n <\/scp>\n transportation for carbon capture and storage","doi":"10.1002/aic.18415","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: AIChE Journal","description":"<title>Abstract<\/title>\n <p>\n When water is present in a CO\n <sub>2<\/sub>\n pipeline, corrosion or plugging can occur due to the formation of liquid water or gas hydrate, respectively. Understanding how corrosion and hydrate plugging can be avoided is important for enhanced oil recovery and carbon dioxide capture and storage processes. If the CO\n <sub>2<\/sub>\n is sufficiently dried prior to transportation, the formation of these problematic free‐water phases can be avoided. In this work, isobaric T–x diagrams were developed from the P–T diagram for the CO\n <sub>2<\/sub>\n –H\n <sub>2<\/sub>\n O binary system. Pressures ranging from just below the lower quadruple point to above the lower critical end point were studied. These diagrams are meant to give the reader a better conceptual understanding of how the water composition in CO\n <sub>2<\/sub>\n –H\n <sub>2<\/sub>\n O mixtures will influence phases that form at different temperatures and pressures. The diagrams are analyzed from the perspective of flow assurance in CO\n <sub>2<\/sub>\n transportation.\n <\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"AIChE Journal","format":"Medium: X","authors":["Wadsworth, Lindsey A. [Department of Chemical &, Biological Engineering Colorado School of Mines Golden Colorado USA] (ORCID:0000000191410598)","Wells, Jonathan D. [Department of Chemical &, Biological Engineering Colorado School of Mines Golden Colorado USA] (ORCID:0000000331777181)","Sloan, E. Dendy [Department of Chemical &, Biological Engineering Colorado School of Mines Golden Colorado USA]","Koh, Carolyn A. [Department of Chemical &, Biological Engineering Colorado School of Mines Golden Colorado USA] (ORCID:0000000334524032)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0001-1541","other_identifiers":["Journal ID: ISSN 0001-1541; e18415"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318586"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318586"}]}, {"osti_id":"2319055","title":"Heavy Flavor Physics at the sPHENIX Experiment","report_number":"LA-UR-24-20563","doi":"10.3390/universe10030126","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Universe Journal Volume: 10 Journal Issue: 3","description":"<p>The sPHENIX experiment is a state-of-the-art jet and heavy flavor physics detector, which successfully recorded its first Au + Au collision data at 200 GeV at the Relativistic Heavy Ion Collider (RHIC). sPHENIX will provide heavy flavor physics measurements at RHIC, covering an unexplored kinematic region and unprecedented precision, to probe the parton energy loss mechanism, parton transport coefficients in quark–gluon plasma, and the hadronization process under various medium conditions. At the center of sPHENIX, the monolithic active pixel sensor (MAPS)-based VerTeX detector (MVTX) is a high-precision silicon pixel detector. The MVTX provides excellent position resolution and the capability of operating in continuous streaming readout mode, allowing precise vertex determination and recording a large data sample, both of which are particularly crucial for heavy flavor physics measurements. In this work, we will show the general performance of heavy-flavor hadron reconstruction. In addition, we will discuss the commissioning experience with sPHENIX. Finally, we will provide the projection of b-hadron and jet observables and discuss the estimated constraints on theoretical models.<\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"MDPI AG","journal_name":"Universe","journal_issue":"3","journal_volume":"10","format":"Medium: X; Size: Article No. 126","authors":["Shi, Zhaozhong (ORCID:0000000154988825)"],"subjects":["Atomic, Nuclear and Particle Physics","sPHENIX","heavy-ion collisions","quark-gluon plasma","heavy flavor physics","particle reconstruction","commissioning","data taking","silicon pixel detector","vertexing","streaming readout","cosmic data","b hadro"],"article_type":"Published Article","doe_contract_number":"20220698PRD1; 89233218CNA000001","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC). Office of Nuclear Physics (NP) (SC-36)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC). Office of Nuclear Physics (NP) (SC-36)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 2218-1997","other_identifiers":["Journal ID: ISSN 2218-1997; UNIVB9; PII: universe10030126"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319055"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319055"}]}, {"osti_id":"2323282","title":"Engineering phonon transport through cation disorder in dimensionally constricted high entropy MXene","report_number":"IS-J-11,281","doi":"10.1016/j.carbon.2024.119015","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Carbon; Journal Volume: 223","description":"Designing materials with low thermal conductivity is a crucial objective for applications in thermal insulation and thermoelectrics. Traditional methods such as doping, mechanical strain and introducing defects in perfect crystals have been widely explored to impede the flow of heat. Here, this work introduces dimensional constriction and cationic disorder as novel avenues to manipulate lattice thermal conductivity (LTC). High entropy materials characterized by random distribution of multiple elements, creates a suitable environment for thermal insulation due to its configurational disorder and local lattice distortions. On the other hand, MXenes, derived from MAX-phase, have garnered considerable attention due to their unique structural attributes, leading to potential applications in catalysis and energy storage. Ti<sub>2<\/sub>AlC MAX-phase is examined to understand the impact of dimensional constriction on phonon transport of Ti<sub>2<\/sub>C with cationic disorder, i.e., (Ti<sub>0.25<\/sub>Nb<sub>0.25<\/sub>Cr<sub>0.25<\/sub>Ta<sub>0.25<\/sub>)<sub>2<\/sub>C. The exponential reduction in LTC of HE-MXene is attributed to disorder scattering that significantly limits phonon mean free path (MFP) and relaxation time. The spread of mode-resolved LTC with MFP highlights the influence of disorder on phonon scattering. This work provides a systematic approach to engineer LTC through dimensional constriction and cationic disorder, laying the foundation for tailored materials with desired thermal properties.","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Elsevier","journal_name":"Carbon","journal_volume":"223","format":"Medium: ED; Size: Article No. 119015","authors":["Sharma, Prince [Lehigh Univ., Bethlehem, PA (United States); Packard Lab., Bethlehem, PA (United States)] (ORCID:0000000218338785)","Singh, Prashant [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)] (ORCID:0000000234609290)","Balasubramanian, Ganesh [Lehigh Univ., Bethlehem, PA (United States)]"],"subjects":["36 MATERIALS SCIENCE","MXene","High entropy materials","Cationic disorder","2D materials","Thermal conductivity"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358; CMMI-1944040","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","USDOE Laboratory Directed Research and Development (LDRD) Program","National Science Foundation (NSF)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 0008-6223","other_identifiers":["Journal ID: ISSN 0008-6223"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323282"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323282"}]}, {"osti_id":"2320347","title":"Neutron source reconstruction using a generalized expectation–maximization algorithm on one-dimensional neutron images from the Z facility","report_number":"SAND-2024-02765J","doi":"10.1063/5.0176152","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Review of Scientific Instruments; Journal Volume: 95; Journal Issue: 3","description":"Magnetized Liner Inertial Fusion experiments have been performed at the Z facility at Sandia National Laboratories. These experiments use deuterium fuel, which produces 2.45 MeV neutrons on reaching thermonuclear conditions. To study the spatial structure of neutron production, the one-dimensional imager of neutrons diagnostic was fielded to record axial resolved neutron images. In this diagnostic, neutrons passing through a rolled edge aperture form an image on a CR-39-based solid state nuclear track detector. In this report we present a modified generalized expectation–maximization algorithm to reconstruct an axial neutron emission profile of the stagnated fusion plasma. We validate the approach by comparing the reconstructed neutron emission profile to an x-ray emission profile provided by a time-integrated pinhole camera.","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Review of Scientific Instruments","journal_issue":"3","journal_volume":"95","format":"Medium: ED; Size: Article No. 033501","authors":["Ricketts, Sidney Austin [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Texas A & M University, College Station, TX (United States)] (ORCID:000000034416769X)","Mangan, Michael A. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:000000034583700X)","Volegov, Petr [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000303617500)","Fittinghoff, David N. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000260898911)","Lewis, William E. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000305098353)","Mannion, Owen M. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000180295109)","Morel, Jim E. [Texas A & M University, College Station, TX (United States)] (ORCID:000000017723003X)","Adams, Marvin L. [Texas A & M University, College Station, TX (United States)]","Ampleford, David J. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000237422421)"],"subjects":["EM algorithm","neutron emission","fusion experiments","plasma diagnostics"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"},{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"},{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)","Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)","Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 0034-6748","other_identifiers":["Journal ID: ISSN 0034-6748"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320347"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320347"}]}, {"osti_id":"2318628","title":"Fiber optic computing using distributed feedback","doi":"10.1038/s42005-024-01549-1","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Communications Physics Journal Volume: 7 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>The widespread adoption of machine learning and other matrix intensive computing algorithms has renewed interest in analog optical computing, which has the potential to perform large-scale matrix multiplications with superior energy scaling and lower latency than digital electronics. However, most optical techniques rely on spatial multiplexing, requiring a large number of modulators and detectors, and are typically restricted to performing a single kernel convolution operation per layer. Here, we introduce a fiber-optic computing architecture based on temporal multiplexing and distributed feedback that performs multiple convolutions on the input data in a single layer. Using Rayleigh backscattering in standard single mode fiber, we show that this technique can efficiently apply a series of random nonlinear projections to the input data, facilitating a variety of computing tasks. The approach enables efficient energy scaling with orders of magnitude lower power consumption than GPUs, while maintaining low latency and high data-throughput.<\/p>","publication_date":"2024-03-02T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Communications Physics","journal_issue":"1","journal_volume":"7","format":"Medium: X","authors":["Redding, Brandon (ORCID:0000000284777874)","Murray, Joseph B. (ORCID:0000000239656280)","Hart, Joseph D. (ORCID:0000000293960574)","Zhu, Zheyuan (ORCID:000000019992135X)","Pang, Shuo S.","Sarma, Raktim"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2399-3650","other_identifiers":["Journal ID: ISSN 2399-3650; 75; PII: 1549"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318628"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318628"}]}, {"osti_id":"2323989","title":"Information-incorporated gene network construction with FDR control","doi":"10.1093/bioinformatics/btae125","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Bioinformatics Journal Volume: 40 Journal Issue: 3","description":"<title>Abstract<\/title>\n <sec>\n <title>Motivation<\/title>\n <p>Large-scale gene expression studies allow gene network construction to uncover associations among genes. To study direct associations among genes, partial correlation-based networks are preferred over marginal correlations. However, FDR control for partial correlation-based network construction is not well-studied. In addition, currently available partial correlation-based methods cannot take existing biological knowledge to help network construction while controlling FDR.<\/p>\n <\/sec>\n <sec>\n <title>Results<\/title>\n <p>In this paper, we propose a method called Partial Correlation Graph with Information Incorporation (PCGII). PCGII estimates partial correlations between each pair of genes by regularized node-wise regression that can incorporate prior knowledge while controlling the effects of all other genes. It handles high-dimensional data where the number of genes can be much larger than the sample size and controls FDR at the same time. We compare PCGII with several existing approaches through extensive simulation studies and demonstrate that PCGII has better FDR control and higher power. We apply PCGII to a plant gene expression dataset where it recovers confirmed regulatory relationships and a hub node, as well as several direct associations that shed light on potential functional relationships in the system. We also introduce a method to supplement observed data with a pseudogene to apply PCGII when no prior information is available, which also allows checking FDR control and power for real data analysis.<\/p>\n <\/sec>\n <sec>\n <title>Availability and implementation<\/title>\n <p>R package is freely available for download at https://cran.r-project.org/package=PCGII.<\/p>\n <\/sec>","publication_date":"2024-03-02T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Oxford University Press","journal_name":"Bioinformatics","journal_issue":"3","journal_volume":"40","format":"Medium: X","authors":["Wang, Hao (ORCID:0000000342302077)","Qiu, Yumou","Guo, Hongqing","Yin, Yanhai (ORCID:0000000230449701)","Liu, Peng (ORCID:0000000220938018)","Birol, ed., Inanc"],"article_type":"Published Article","doe_contract_number":"SC0014395","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1367-4811","other_identifiers":["Journal ID: ISSN 1367-4811; btae125"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323989"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323989"}]}, {"osti_id":"2318471","title":"Static and shock compression studies of eutectic high-entropy alloy AlCoCrFeNi<sub>2.1<\/sub> to ultrahigh pressures","doi":"10.1063/5.0192103","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Applied Physics; Journal Volume: 135; Journal Issue: 9","description":"The high-entropy alloy with composition AlCoCrFeNi<sub>2.1<\/sub>, additively manufactured with the laser powder-bed fusion technique, has a far-from-equilibrium BCC/FCC eutectic nanolamellar structure. We studied the high-pressure response of this alloy under both static compression and high-strain rate shock compression. The response to static compression using a diamond anvil cell was studied at pressures up to 302 GPa with synchrotron x-ray diffraction at the advanced photon source. The high-pressure FCC-only phase of the EHEA previously observed by Pope et al. [AIP Adv. 13, 035124 (2023)] is found to be stable up to the highest pressure achieved in this study with a volume compression of V/V<sub>0<\/sub> = 0.587 at ambient temperature. The shock experiments were performed by using GEKKO XII lasers at the Institute of Laser Engineering, Osaka University. The principal Hugoniot equation-of-state of the EHEA was measured up to a pressure of 515 GPa and a compression of V/V<sub>0<\/sub> = 0.613. Additionally, the thermal equation of state of the EHEA was measured up to 6.2 GPa and 1623 K using a large-volume Paris–Edinburgh cell to obtain the temperature dependence of bulk modulus and thermal expansion coefficients. The melting temperature for EHEA AlCoCrFeNi<sub>2.1<\/sub> at a pressure of 5.6 GPa was measured to be 1648 ± 25 K. These results can be used to refine stochastic (or special) quasi-random structure (SQS) models for high-pressure high-temperature behavior of high-entropy alloys.","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Journal of Applied Physics","journal_issue":"9","journal_volume":"135","format":"Medium: ED; Size: Article No. 095902","authors":["Katagiri, Kento [Stanford University, CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] (ORCID:0000000189131047)","Irvine, Sara J. [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Stanford University, CA (United States)] (ORCID:0009000826377769)","Hari, Anirudh [Stanford University, CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] (ORCID:0000000318258109)","Kodama, Ryosuke [Osaka University (Japan)]","Ozaki, Norimasa [Osaka University (Japan)] (ORCID:0000000273209871)","Sano, Takayoshi [Osaka University (Japan)] (ORCID:0000000191063856)","Ren, Jie [University of Massachusetts, Amherst, MA (United States)] (ORCID:0000000265907709)","Yang, Wuxian [University of Massachusetts, Amherst, MA (United States)] (ORCID:000900072391527X)","Chen, Wen [University of Massachusetts, Amherst, MA (United States)] (ORCID:0000000320481107)","Clay, Matthew P. [University of Alabama at Birmingham, AL (United States)] (ORCID:0000000233709572)","Pope, Andrew D. [University of Alabama at Birmingham, AL (United States)] (ORCID:0000000205262021)","Iwan, Seth [University of Alabama at Birmingham, AL (United States)] (ORCID:0000000331204172)","Dresselhaus-Marais, Leora E. [Stanford University, CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] (ORCID:0000000207570159)","Vohra, Yogesh K. [University of Alabama at Birmingham, AL (United States)] (ORCID:0000000227763695)"],"subjects":["36 MATERIALS SCIENCE","Shock compression","Static high pressure","High-entropy alloy","Phase transformation","Equation of state","Shock waves","Diamond anvil cells","Alloys","Bulk modulus","Themal effects","Synchrotron X-ray diffraction","Lasers"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0004154; AC02-06CH11357","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)"],"orgs_research":[{"name":"Univ. of Alabama, Birmingham, AL (United States)"}],"research_orgs":["Univ. of Alabama, Birmingham, AL (United States)"],"journal_issn":"ISSN 0021-8979","other_identifiers":["Journal ID: ISSN 0021-8979"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318471"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2318471"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318471"}]}, {"osti_id":"2323353","title":"Development and validation of fully open-source R2S shutdown dose rate capabilities in OpenMC","doi":"10.1088/1741-4326/ad32dd","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion","description":"<title>Abstract<\/title>\n <p>We present the first fully open-source capabilities for shutdown dose rate (SDR) calculations of fusion energy facilities based on the Rigorous 2-Step (R2S) methodology. These capabilities have been implemented in the OpenMC Monte Carlo particle transport code, building on its existing capabilities while also leveraging new features that have been added to the code to support SDR calculations, such as decay photon source generation. Each of the individual physics components in the R2S workflow---neutron transport, activation, decay photon source generation, and photon transport---have been verified through code-to-code comparisons with MCNP6.2 and FISPACT-II 4.0. These comparisons generally demonstrate excellent agreement between codes for each of the physics components. The full cell-based R2S workflow was validated by performing a simulation of the first experimental campaign from the Frascati Neutron Generator (FNG) ITER dose rate benchmark problem from the Shielding INtegral Benchmark Archive and Database (SINBAD). For short cooling times, the dose calculated by OpenMC agrees with the experimental measurements within the stated experimental uncertainties. For longer cooling times, an overprediction of the shutdown dose was observed relative to experiment, which is consistent with previous studies in the literature. Altogether, these features constitute a combination of capabilities in a single, open-source codebase to provide the fusion community with a readily-accessible option for SDR calculations and a platform for rapidly analyzing the performance of fusion technology.<\/p>","publication_date":"2024-03-12T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","format":"Medium: X","authors":["Peterson, Ethan (ORCID:0000000256947194)","Romano, Paul","Shriwise, Patrick","Myers, Patrick"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323353"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323353"}]}, {"osti_id":"2322504","title":"Advances in mass spectrometry-enabled multiomics at single-cell resolution","report_number":"PNNL-SA-194867","doi":"10.1016/j.copbio.2024.103096","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Current Opinion in Biotechnology; Journal Volume: 87","description":"We report biological organisms are multifaceted, intricate systems where slight perturbations can result in extensive changes in gene expression, protein abundance and/or activity, and metabolic flux. These changes occur at different timescales, spatially across cells of heterogeneous origins, and within single-cells. Hence, multimodal measurements at the smallest biological scales are necessary to capture dynamic changes in heterogeneous biological systems. Of the analytical techniques used to measure biomolecules, mass spectrometry (MS) has proven to be a powerful option due to its sensitivity, robustness, and flexibility with regard to the breadth of biomolecules that can be analyzed. Recently, many studies have coupled MS to other analytical techniques with the goal of measuring multiple modalities from the same single-cell. It is with these concepts in mind that we focus this review on MS-enabled multiomic measurements at single-cell or near-single- cell resolution.","publication_date":"2024-03-02T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Elsevier","journal_name":"Current Opinion in Biotechnology","journal_volume":"87","format":"Medium: ED; Size: Article No. 103096","authors":["Kumar, Rashmi [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)]","Zemaitis, Kevin [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)] (ORCID:0000000235249776)","Fulcher, James M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)]","Pasa-Tolic, Ljiljana [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)]"],"subjects":["multi-omics","single cell","genomics","transcriptomics","proteomics","lipidomics","metabolomics","imaging mass spectrometry","spatial analysis"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; UG3CA256959; UG3CA275697","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"National Institutes of Health (NIH)"}],"sponsor_orgs":["USDOE Office of Science (SC)","National Institutes of Health (NIH)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 0958-1669","other_identifiers":["Journal ID: ISSN 0958-1669"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322504"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322504"}]}, {"osti_id":"2320341","title":"Al-rich AlGaN high electron mobility transistor gate metallization study up to 600 °C in air","report_number":"SAND-2024-02666J","doi":"10.1063/5.0185336","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Physics Letters; Journal Volume: 124; Journal Issue: 10","description":"Here we report a comparative study of three rectifying gate metals, W, Pd, and Pt/Au, on ultrawide bandgap Al<sub>0.86<\/sub>Ga<sub>0.14<\/sub>N barrier/Al<sub>0.7<\/sub>Ga<sub>0.3<\/sub>N channel high electron mobility transistors for use in extreme temperatures. The transistors were electrically characterized from 30 to 600 °C in air. Of the three gate metals, the Pt/Au stack exhibited the smallest change in threshold voltage (0.15 V, or 9% change between the 30 and 600 °C values, and a maximum change of 42%), the highest on/off current ratio (1.5 × 10<sup>6<\/sup>) at 600 °C, and a modest forward gate leakage current (0.39 mA/mm for a 3,V gate bias) at 600 °C. These favorable results showcase AlGaN channel high electron mobility transistors\' ability to operate in extreme temperature environments.","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Applied Physics Letters","journal_issue":"10","journal_volume":"124","format":"Medium: ED; Size: Article No. 103506","authors":["Klein, Brianna Alexandra [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000158442440)","Allerman, Andrew A. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Armstrong, Andrew [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000303916009)"],"subjects":["thermal conductivity","electronic transport","semiconductors","thermionic emission","electrical properties and parameters","field effect transistors","metallization process","electrical characterization","ohmic contacts","sputter deposition"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0003-6951","other_identifiers":["Journal ID: ISSN 0003-6951"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320341"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320341"}]}, {"osti_id":"2317717","title":"Majorana chain and Ising model - (non-invertible) translations, anomalies, and emanant symmetries","doi":"10.21468/SciPostPhys.16.3.064","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: SciPost Physics Journal Volume: 16 Journal Issue: 3","description":"<p>\n We study the symmetries of closed Majorana chains in 1+1d, including the translation, fermion parity, spatial parity, and time-reversal symmetries. The algebra of the symmetry operators is realized projectively on the Hilbert space, signaling anomalies on the lattice, and constraining the long-distance behavior. In the special case of the free Hamiltonian (and small deformations thereof), the continuum limit is the 1+1d free Majorana CFT. Its continuum chiral fermion parity\n <inline-formula>\n <alternatives>\n <tex-math>(-1)^{F_L}<\/tex-math>\n <math display=\'inline\'>\n <msup>\n <mrow>\n <mo form=\'prefix\' stretchy=\'true\'>(<\/mo>\n <mo>−<\/mo>\n <mn>1<\/mn>\n <mo form=\'postfix\' stretchy=\'true\'>)<\/mo>\n <\/mrow>\n <msub>\n <mi>F<\/mi>\n <mi>L<\/mi>\n <\/msub>\n <\/msup>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n emanates from the lattice translation symmetry. We find a lattice precursor of its mod 8 ’t Hooft anomaly. Using a Jordan-Wigner transformation, we sum over the spin structures of the lattice model (a procedure known as the GSO projection), while carefully tracking the global symmetries. In the resulting bosonic model of Ising spins, the Majorana translation operator leads to a non-invertible lattice translation symmetry at the critical point. The non-invertible Kramers-Wannier duality operator of the continuum Ising CFT emanates from this non-invertible lattice translation of the transverse-field Ising model.\n <\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Stichting SciPost","journal_name":"SciPost Physics","journal_issue":"3","journal_volume":"16","format":"Medium: X","authors":["Seiberg, Nathan","Shao, Shu-Heng"],"article_type":"Published Article","doe_contract_number":"SC0009988","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2542-4653","other_identifiers":["Journal ID: ISSN 2542-4653; 064"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317717"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317717"}]}, {"osti_id":"2282253","title":"100 years of extremum seeking: A survey","report_number":"LA-UR-22-32122","doi":"10.1016/j.automatica.2023.111481","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Automatica Journal Volume: 161 Journal Issue: C","description":"Extremum seeking (ES) is a powerful approach to the optimization and stabilization of unknown dynamic systems and is an active field of research in control theory. This paper surveys recent ES algorithm developments. ES has evolved from its origins as a simple but brilliant engineering invention in the 1922 paper of Leblanc to the breakthrough work of Krstic and Wang in 2000 in which the first general stability analysis was given, to the most recent and numerous analytical results which prove convergence for a wide range of general dynamic systems. This survey provides a thorough overview of the dynamic systems for which ES stabilization and optimization results have been provided, the various analytical methods for proving convergence, and an overview of many real world applications for which ES has been utilized in industry and at scientific laboratories.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-01-23T00:00:00Z","publisher":"Elsevier","journal_name":"Automatica","journal_issue":"C","journal_volume":"161","format":"Medium: X; Size: Article No. 111481","authors":["Scheinker, Alexander"],"subjects":["42 ENGINEERING","extremum seeking"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0005-1098","other_identifiers":["Journal ID: ISSN 0005-1098; S0005109823006507; 111481; PII: S0005109823006507"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282253"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282253"}]}, {"osti_id":"2318712","title":"Nutrient Dynamics in a Coupled Terrestrial Biosphere and Land Model (ELM-FATES-CNP)","doi":"10.1029/2023ms003689","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Advances in Modeling Earth Systems; Journal Volume: 16; Journal Issue: 3","description":"We present a representation of nitrogen and phosphorus cycling in the Functionally Assembled Terrestrial Ecosystem Simulator, a demographic vegetation model within the Energy Exascale Earth System land model. This representation is modular, and designed to allow testing of multiple hypothetical approaches for carbon-nutrient coupling in plants. Novel model hypotheses introduced in this work include, (a) the controls on plant acquisition of aqueous mineralized nutrients in the soil and (b) fairly straight forward methods of allocating nutrients to specific plant organs and their losses through live plant turnover as well as litter fluxes generated through plant mortality. This combines the new with pre-existing hypotheses (such as nitrogen fixation and soil decomposition) into a system that can accommodate plant-soil dynamics for a large number of size- and functional-type-resolved plant cohorts within a time-since-disturbance-resolved ecosystem. Root uptake of nutrients is governed by fine root biomass, and plants vary in their fine root biomass allocation in order to balance carbon and nutrient limitations to growth. We test the sensitivity of the model to a wide range of parameter variations and structural representations, and in the context of observations at Barro Colorado Island, Panama. A key model prediction is that plants in the high-light-availability canopy positions allocate more carbon to fine roots than plants in low-light understory environments, given the widely different carbon versus nutrient constraints of these two niches within a given ecosystem. This model provides a basis for exploring carbon-nutrient coupling with vegetation demography within Earth system models.","publication_date":"2024-03-02T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Advances in Modeling Earth Systems","journal_issue":"3","journal_volume":"16","format":"Medium: ED; Size: Article No. e2023MS003689","authors":["Knox, Ryan G. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000311403350)","Koven, Charles D. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000233670065)","Riley, William J. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000246152304)","Walker, Anthony P. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000305575594)","Wright, S. Joseph [Smithsonian Tropical Research Institute, Ancon (Panama)] (ORCID:0000000342605676)","Holm, Jennifer A. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000159213068)","Wei, Xinyuan [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000186227756)","Fisher, Rosie A. [CICERO Center for International Climate Research, Oslo (Norway)] (ORCID:0000000332609227)","Zhu, Qing [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:000000032441944X)","Tang, Jinyun [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000247921259)","Ricciuto, Daniel M. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000236683021)","Shuman, Jacquelyn K. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States)] (ORCID:0000000325882161)","Yang, Xiaojuan [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000022686745X)","Kueppers, Lara M. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); University of California, Berkeley, CA (United States)] (ORCID:0000000281343579)","Chambers, Jeffrey Q. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); University of California, Berkeley, CA (United States)]"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"European Union\'s Horizon 2020"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","European Union\'s Horizon 2020"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1942-2466","other_identifiers":["Journal ID: ISSN 1942-2466"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318712"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2318712"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318712"}]}, {"osti_id":"2317721","title":"Graph states of atomic ensembles engineered by photon-mediated entanglement","doi":"10.1038/s41567-024-02407-1","product_type":"Journal Article","language":"English","country_publication":"France","relation":"Journal Name: Nature Physics","description":"<title>Abstract<\/title>\n <p>Graph states are a broad family of entangled quantum states, each defined by a graph composed of edges representing the correlations between subsystems. Such states constitute versatile resources for quantum computation and quantum-enhanced measurement. Their generation and engineering require a high level of control over entanglement. Here we report on the generation of continuous-variable graph states of atomic spin ensembles, which form the nodes of the graph. We program the entanglement structure encoded in the graph edges by combining global photon-mediated interactions in an optical cavity with local spin rotations. By tuning the entanglement between two subsystems, we either localize correlations within each subsystem or enable Einstein–Podolsky–Rosen steering—a strong form of entanglement that enables the extraction of precise information from one subsystem through measurements on the other. We further engineer a four-mode square graph state, highlighting the flexibility of our approach. Our method is scalable to larger and more complex graphs, laying groundwork for measurement-based quantum computation and advanced protocols in quantum metrology.<\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Physics","format":"Medium: X","authors":["Cooper, Eric S.","Kunkel, Philipp (ORCID:0000000281459184)","Periwal, Avikar","Schleier-Smith, Monika (ORCID:0000000246863528)"],"article_type":"Published Article","doe_contract_number":"SC0019174","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1745-2473","other_identifiers":["Journal ID: ISSN 1745-2473; PII: 2407"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317721"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317721"}]}, {"osti_id":"2317713","title":"Prognostic analysis of high-flow nasal cannula therapy and non-invasive ventilation in mild to moderate hypoxemia patients and construction of a machine learning model for 48-h intubation prediction—a retrospective analysis of the MIMIC database","doi":"10.3389/fmed.2024.1213169","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Medicine Journal Volume: 11","description":"<sec>\n <title>Background<\/title>\n <p>This study aims to investigate the clinical outcome between high-flow nasal cannula (HFNC) and non-invasive ventilation (NIV) therapy in mild to moderate hypoxemic patients on the first ICU day and to develop a predictive model of 48-h intubation.<\/p>\n <\/sec>\n <sec>\n <title>Methods<\/title>\n <p>The study included adult patients from the MIMIC III and IV databases who first initiated HFNC or NIV therapy due to mild to moderate hypoxemia (100 < PaO2/FiO2 ≤ 300). The 48-h and 30-day intubation rates were compared using cross-sectional and survival analysis. Nine machine learning and six ensemble algorithms were deployed to construct the 48-h intubation predictive models, of which the optimal model was determined by its prediction accuracy. The top 10 risk and protective factors were identified using the Shapley interpretation algorithm.<\/p>\n <\/sec>\n <sec>\n <title>Result<\/title>\n <p>\n A total of 123,042 patients were screened, of which, 673 were from the MIMIC IV database for ventilation therapy comparison (HFNC\n <italic>n<\/italic>\n = 363, NIV\n <italic>n<\/italic>\n = 310) and 48-h intubation predictive model construction (training dataset\n <italic>n<\/italic>\n = 471, internal validation set\n <italic>n<\/italic>\n = 202) and 408 were from the MIMIC III database for external validation. The NIV group had a lower intubation rate (23.1% vs. 16.1%,\n <italic>p<\/italic>\n = 0.001), ICU 28-day mortality (18.5% vs. 11.6%,\n <italic>p<\/italic>\n = 0.014), and in-hospital mortality (19.6% vs. 11.9%,\n <italic>p<\/italic>\n = 0.007) compared to the HFNC group. Survival analysis showed that the total and 48-h intubation rates were not significantly different. The ensemble AdaBoost decision tree model (internal and external validation set AUROC 0.878, 0.726) had the best predictive accuracy performance. The model Shapley algorithm showed Sequential Organ Failure Assessment (SOFA), acute physiology scores (APSIII), the minimum and maximum lactate value as risk factors for early failure and age, the maximum PaCO\n <sub>2<\/sub>\n and PH value, Glasgow Coma Scale (GCS), the minimum PaO\n <sub>2<\/sub>\n /FiO\n <sub>2<\/sub>\n ratio, and PaO\n <sub>2<\/sub>\n value as protective factors.\n <\/p>\n <\/sec>\n <sec>\n <title>Conclusion<\/title>\n <p>\n NIV was associated with lower intubation rate and ICU 28-day and in-hospital mortality. Further survival analysis reinforced that the effect of NIV on the intubation rate might partly be attributed to the other impact factors. The ensemble AdaBoost decision tree model may assist clinicians in making clinical decisions, and early organ function support to improve patients’ SOFA, APSIII, GCS, PaCO\n <sub>2<\/sub>\n , PaO\n <sub>2<\/sub>\n , PH, PaO\n <sub>2<\/sub>\n /FiO\n <sub>2<\/sub>\n ratio, and lactate values can reduce the early failure rate and improve patient prognosis.\n <\/p>\n <\/sec>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Medicine","journal_volume":"11","format":"Medium: X","authors":["Fu, Wei","Liu, Xiaoqing","Guan, Lili","Lin, Zhimin","He, Zhenfeng","Niu, Jianyi","Huang, Qiaoyun","Liu, Qi","Chen, Rongchang"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"}],"sponsor_orgs":["USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2296-858X","other_identifiers":["Journal ID: ISSN 2296-858X; 1213169"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317713"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317713"}]}, {"osti_id":"2322579","title":"Extreme compression of planetary gases: High-accuracy pressure-density measurements of hydrogen-helium mixtures above fourfold compression","doi":"10.1103/physrevb.109.104102","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 10","description":"Hydrogen (H<sub>2<\/sub>) and helium (He), the most abundant elements in the universe, pose a unique challenge in measuring the equation of state of the mixture, owing to their differing physical properties. There remains a need for data with high enough precision to discriminate between existing equation of state (EOS) mix models in order to understand the internal structure of gas-giant planets. Here, we have measured the EOS of precompressed H<sub>2<\/sub>- He mixtures at conditions directly relevant to the planetary interiors using hypervelocity gas guns and Sandia’s Z machine with less than 10% uncertainty in density, enabling validation of mixture models. We precompressed 50:50 molar mixtures of H<sub>2<\/sub>-He to 0.1–0.2 GPa and directly measured particle velocity (in gas-gun experiments) and shock velocities (in Z-machine experiments). To complement the experimental efforts, we also computed the Hugoniots of precompressed H<sub>2<\/sub>-He mixtures using density-functional-theory-based molecular dynamics. Furthermore, we observe approximately 3- to 4.3-fold density compression at pressures up to 44 GPa.","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"10","journal_volume":"109","format":"Medium: ED; Size: Article No. 104102","authors":["Duwal, Sakun [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Clay, III, Raymond C. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Knudson, Marcus D. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Boerner, Jeremiah [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0009000178317919)","Cochrane, Kyle [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000178396357)","Usher, Joshua [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Dolan, Daniel [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Farfan, Bernardo [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","de La Cruz, Chris [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Banasek, Jacob [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Seagle, Christopher T. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Hacking, Richard [National Security Technologies, Albuquerque, NM (United States)]","Payne, Sheri [National Security Technologies, Albuquerque, NM (United States)]","Zoller, Charlie [University of Illinois Chicago, IL (United States)] (ORCID:0009000184625002)","Ahart, Muhtar [University of Illinois Chicago, IL (United States)]","Hemley, Russell J. [University of Illinois Chicago, IL (United States)]"],"subjects":["Compressive strength","Continuum mechanics","Critical phenomena","Dynamical phase transitions","First-principles calculations","Phase diagrams","Phase transitions"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003975","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"University of Illinois Chicago, IL (United States)"}],"research_orgs":["University of Illinois Chicago, IL (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322579"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322579"}]}, {"osti_id":"2317694","title":"Restoring the discontinuous heat equation source using sparse boundary data and dynamic sensors","doi":"10.1088/1361-6420/ad2904","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Inverse Problems Journal Volume: 40 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>This study focuses on addressing the inverse source problem associated with the parabolic equation. We rely on sparse boundary flux data as our measurements, which are acquired from a restricted section of the boundary. While it has been established that utilizing sparse boundary flux data can enable source recovery, the presence of a limited number of observation sensors poses a challenge for accurately tracing the inverse quantity of interest. To overcome this limitation, we introduce a sampling algorithm grounded in Langevin dynamics that incorporates dynamic sensors to capture the flux information. Furthermore, we propose and discuss two distinct dynamic sensor migration strategies. Remarkably, our findings demonstrate that even with only two observation sensors at our disposal, it remains feasible to successfully reconstruct the high-dimensional unknown parameters.<\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"IOP Publishing","journal_name":"Inverse Problems","journal_issue":"4","journal_volume":"40","format":"Medium: X; Size: Article No. 045014","authors":["Lin, Guang (ORCID:0000000209761987)","Ou, Na","Zhang, Zecheng","Zhang, Zhidong (ORCID:0000000301974889)"],"article_type":"Published Article","doe_contract_number":"SC0024583; 81739","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"},{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)","USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0266-5611","other_identifiers":["Journal ID: ISSN 0266-5611"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317694"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317694"}]}, {"osti_id":"2318563","title":"Tuning Local Atomic Structures in MoS\n <sub>2<\/sub>\n Based Catalysts for Electrochemical Nitrate Reduction","doi":"10.1002/smll.202310562","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Small","description":"<title>Abstract<\/title>\n <p>\n In recent years, there has been a substantial surge in the investigation of transition‐metal dichalcogenides such as MoS\n <sub>2<\/sub>\n as a promising electrochemical catalyst. Inspired by denitrification enzymes such as nitrate reductase and nitrite reductase, the electrochemical nitrate reduction catalyzed by MoS\n <sub>2<\/sub>\n with varying local atomic structures is reported. It is demonstrated that the hydrothermally synthesized MoS\n <sub>2<\/sub>\n containing sulfur vacancies behaves as promising catalysts for electrochemical denitrification. With copper doping at less than 9% atomic ratio, the selectivity of denitrification to dinitrogen in the products can be effectively improved. X‐ray absorption characterizations suggest that two sulfur vacancies are associated with one copper dopant in the MoS\n <sub>2<\/sub>\n skeleton. DFT calculation confirms that copper dopants replace three adjacent Mo atoms to form a trigonal defect‐enriched region, introducing an exposed Mo reaction center that coordinates with Cu atom to increase N\n <sub>2<\/sub>\n selectivity. Apart from the higher activity and selectivity, the Cu‐doped MoS\n <sub>2<\/sub>\n also demonstrates remarkably improved tolerance toward oxygen poisoning at high oxygen concentration. Finally, Cu‐doped MoS\n <sub>2<\/sub>\n based catalysts exhibit very low specific energy consumption during the electrochemical denitrification process, paving the way for potential scale‐up operations.\n <\/p>","publication_date":"2024-03-03T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Small","format":"Medium: X","authors":["Tian, Xiaoyin [Department of Materials Science and NanoEngineering Rice University 6100 Main Street Houston TX 77005 USA]","Zhang, Jing [Department of Materials Science and NanoEngineering Rice University 6100 Main Street Houston TX 77005 USA]","Rigby, Kali [Department of Chemical and Environmental Engineering Yale University New Haven CT 06520 USA]","Rivera, Daniel J. [Chemical Engineering Program School for Engineering of Matter, Transport and Energy Arizona State University 300 E Lemon St Tempe AZ 85281 USA]","Gao, Guanhui [Department of Materials Science and NanoEngineering Rice University 6100 Main Street Houston TX 77005 USA]","Liu, Yifeng [Department of Materials Science and NanoEngineering Rice University 6100 Main Street Houston TX 77005 USA]","Zhu, Yifan [Department of Materials Science and NanoEngineering Rice University 6100 Main Street Houston TX 77005 USA]","Zhai, Tianshu [Department of Materials Science and NanoEngineering Rice University 6100 Main Street Houston TX 77005 USA]","Stavitski, Eli [National Synchrotron Light Source II Brookhaven National Laboratory Upton NY 11973 USA]","Muhich, Christopher [Chemical Engineering Program School for Engineering of Matter, Transport and Energy Arizona State University 300 E Lemon St Tempe AZ 85281 USA]","Kim, Jae‐Hong [Department of Chemical and Environmental Engineering Yale University New Haven CT 06520 USA]","Li, Qilin [Department of Civil and Environmental Engineering Rice University 6100 Main Street Houston TX 77005 USA]","Lou, Jun [Department of Materials Science and NanoEngineering Rice University 6100 Main Street Houston TX 77005 USA] (ORCID:0000000243519561)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1613-6810","other_identifiers":["Journal ID: ISSN 1613-6810; 2310562"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318563"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318563"}]}, {"osti_id":"2283266","title":"Spectrum of the Boltzmann collision operator for λϕ4 theory in the classical regime","doi":"10.1016/j.physletb.2024.138487","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Physics Letters. B Journal Volume: 850 Journal Issue: C","description":"We analytically determine all the eigenvalues and eigenfunctions of the linearized Boltzmann collision operator (computed using Boltzmann statistics) in massless scalar \r\nλΦ<sup>4<\/sup> theory. This is used to determine this system\'s shear viscosity and particle diffusion transport coefficients in analytical form. The corresponding relaxation time approximation for this linearized Boltzmann equation is also derived.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Elsevier","journal_name":"Physics Letters. B","journal_issue":"C","journal_volume":"850","format":"Medium: X; Size: Article No. 138487","authors":["Denicol, Gabriel S.","Noronha, Jorge"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS"],"article_type":"Published Article","doe_contract_number":"SC0021301","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[{"name":"Univ. of Illinois at Urbana-Champaign, IL (United States)"}],"research_orgs":["Univ. of Illinois at Urbana-Champaign, IL (United States)"],"journal_issn":"ISSN 0370-2693","other_identifiers":["Journal ID: ISSN 0370-2693; S0370269324000455; 138487; PII: S0370269324000455"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283266"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283266"}]}, {"osti_id":"2323579","title":"Dose optimization of an adjuvanted peptide-based personalized neoantigen melanoma vaccine","doi":"10.1371/journal.pcbi.1011247","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: PLoS Computational Biology (Online) Journal Volume: 20 Journal Issue: 3","description":"<p>\n The advancements in next-generation sequencing have made it possible to effectively detect somatic mutations, which has led to the development of personalized neoantigen cancer vaccines that are tailored to the unique variants found in a patient’s cancer. These vaccines can provide significant clinical benefit by leveraging the patient’s immune response to eliminate malignant cells. However, determining the optimal vaccine dose for each patient is a challenge due to the heterogeneity of tumors. To address this challenge, we formulate a mathematical dose optimization problem based on a previous mathematical model that encompasses the immune response cascade produced by the vaccine in a patient. We propose an optimization approach to identify the optimal personalized vaccine doses, considering a fixed vaccination schedule, while simultaneously minimizing the overall number of tumor and activated T cells. To validate our approach, we perform\n <italic>in silico<\/italic>\n experiments on six real-world clinical trial patients with advanced melanoma. We compare the results of applying an optimal vaccine dose to those of a suboptimal dose (the dose used in the clinical trial and its deviations). Our simulations reveal that an optimal vaccine regimen of higher initial doses and lower final doses may lead to a reduction in tumor size for certain patients. Our mathematical dose optimization offers a promising approach to determining an optimal vaccine dose for each patient and improving clinical outcomes.\n <\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Public Library of Science (PLoS)","journal_name":"PLoS Computational Biology (Online)","journal_issue":"3","journal_volume":"20","format":"Medium: X; Size: Article No. e1011247","authors":["Valega-Mackenzie, Wencel (ORCID:0000000211962489)","Rodriguez Messan, Marisabel (ORCID:0000000235555810)","Yogurtcu, Osman N. (ORCID:0000000349873753)","Nukala, Ujwani","Sauna, Zuben E.","Yang, Hong (ORCID:0000000200576566)","Wallqvist, ed., Anders"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1553-7358","other_identifiers":["Journal ID: ISSN 1553-7358; 10.1371/journal.pcbi.1011247"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323579"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323579"}]}, {"osti_id":"2317715","title":"Designing Ti-6Al-4V microstructure for strain delocalization using neural networks","doi":"10.1186/s41313-024-00055-9","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Materials Theory Journal Volume: 8 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>The deformation behavior of Ti-6Al-4V titanium alloy is significantly influenced by slip localized within crystallographic slip bands. Experimental observations reveal that intense slip bands in Ti-6Al-4V form at strains well below the macroscopic yield strain and may serially propagate across grain boundaries, resulting in long-range localization that percolates through the microstructure. These connected, localized slip bands serve as potential sites for crack initiation. Although slip localization in Ti-6Al-4V is known to be influenced by various factors, an investigation of optimal microstructures that limit localization remains lacking. In this work, we develop a novel strategy that integrates an explicit slip band crystal plasticity technique, graph networks, and neural network models to identify Ti-6Al-4V microstructures that reduce the propensity for strain localization. Simulations are conducted on a dataset of 3D polycrystals, each represented as a graph to account for grain neighborhood and connectivity. The results are then used to train neural network surrogate models that accurately predict localization-based properties of a polycrystal, given its microstructure. These properties include the ratio of slip accumulated in the band to that in the matrix, fraction of total applied strain accommodated by slip bands, and spatial connectivity of slip bands throughout the microstructure. The initial dataset is enriched by synthetic data generated by the surrogate models, and a grid search optimization is subsequently performed to find optimal microstructures. Describing a 3D polycrystal with only a few features and a combination of graph and neural network models offer robustness compared to the alternative approaches without compromising accuracy. We show that while each material property is optimized through a unique microstructure solution, elongated grain shape emerges as a recurring feature among all optimal microstructures. This finding suggests that designing microstructures with elongated grains could potentially mitigate strain localization without compromising strength.<\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Materials Theory","journal_issue":"1","journal_volume":"8","format":"Medium: X","authors":["Ahmadikia, Behnam","Beyerlein, Adolph L.","Hestroffer, Jonathan M.","Kumar, M. Arul","Beyerlein, Irene J."],"article_type":"Published Article","doe_contract_number":"SC0018901","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2509-8012","other_identifiers":["Journal ID: ISSN 2509-8012; 4; PII: 55"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317715"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317715"}]}, {"osti_id":"2317674","title":"Applied Magnetic Field Increases Magnetic Anisotropy in HDDR-Processed Nd-Fe-B Alloy","doi":"10.3390/met14030294","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Metals Journal Volume: 14 Journal Issue: 3","description":"<p>We investigate the effect of an applied magnetic field on the entire HDDR process using a customized reactor vessel and a warm-bore superconducting magnet. We analyzed the resulting properties produced at both a 0 applied field and a 2 Tesla applied field. We show that the application of a magnetic field throughout the HDDR process results in powders that exhibit a greater level of anisotropy compared to their ambient field counterparts.<\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"MDPI AG","journal_name":"Metals","journal_issue":"3","journal_volume":"14","format":"Medium: X; Size: Article No. 294","authors":["Tener, Zachary P. (ORCID:0000000314070379)","Liu, Xubo (ORCID:0000000225580959)","Nlebedim, Ikenna C.","Kramer, Matthew J. (ORCID:0000000290976730)","McGuire, Michael A. (ORCID:0000000317629406)","Kesler, Michael S. (ORCID:0000000161423128)"],"subjects":["x-ray diffraction","SQUID magnetometry","hydrogenation","remanence","coercivity","degree of alignment"],"article_type":"Published Article","doe_contract_number":"AC02-07CH11358; AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Materials & Manufacturing Technologies Office (AMMTO)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Materials & Manufacturing Technologies Office (AMMTO)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2075-4701","other_identifiers":["Journal ID: ISSN 2075-4701; MBSEC7; PII: met14030294"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317674"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317674"}]}, {"osti_id":"2317697","title":"Assessment of the literature about Be-W mixed material layer formation in the fusion reactor environment","doi":"10.1088/2053-1591/ad2c3c","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Materials Research Express (Online) Journal Volume: 11 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>All plasma facing surfaces in a fusion reactor, whether initially pure or an alloy, will rapidly evolve into a mixed material due to plasma-induced erosion, migration and redeposition. Beryllium (Be) erosion from the main chamber, and its transport and deposition on to a tungsten (W) divertor results in the growth of mixed Be-W layers, which can evolve to form beryllides. These Be-W mixed materials exhibit generally less desirable properties than pure tungsten or pure beryllium, such as lower melting points. In order to better understand the parameter space for growth of these alloys, this paper reviews the literature on Be-W mixed material formation experiments – in magnetically confined fusion reactors, in linear plasma test stands, and during thin- film deposition – and on computational modeling of Be-W interactions, as well as briefly assesses the Be-W growth kinetics. We conclude that the following kinetic steps drive the material mixing: adsorption of the implanted/deposited ion on the metal surface; diffusion of the implanted/deposited ion from surface into the bulk, which is accelerated by defects; and loss of deposited material through erosion. Adsorption dominates (or prevents) material mixing in thin-film deposition experiments, whereas diffusion drives material mixing in plasma exposures due to the energetic ion implantation.<\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"IOP Publishing","journal_name":"Materials Research Express (Online)","journal_issue":"3","journal_volume":"11","format":"Medium: X; Size: Article No. 032002","authors":["Lasa, Ane (ORCID:0000000264351884)","Dasgupta, Dwaipayan (ORCID:000000019405922X)","Baldwin, Matthew J. (ORCID:0000000163352255)","Cusentino, Mary Alice (ORCID:0000000195056442)","Hatton, Peter (ORCID:0000000229142200)","Perez, Danny (ORCID:0000000330285249)","Uberuaga, Blas P. (ORCID:0000000169346219)","Yang, Li (ORCID:0000000322166071)","Wirth, Brian D. (ORCID:0000000203950285)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2053-1591","other_identifiers":["Journal ID: ISSN 2053-1591"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317697"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317697"}]}, {"osti_id":"2316092","title":"Bis(N-xylyl-imino)phenyl “NCN” iridium pincer complexes. Thermodynamics of ligand binding and C C bond cleavage","doi":"10.1016/j.poly.2024.116853","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Polyhedron Journal Volume: 251 Journal Issue: C","description":"Complexes of iridium bearing a new ligand (\"XyPhDI\") have been synthesized in the context of developing new catalysts for the conversion of hydrocarbons and other organic reactions. Thermodynamics have been studied experimentally and computational (DFT) calculations are in good agreement; this has provided confidence needed for the useful application of such DFT methods to extrapolate and predict the thermodynamics of reactions of related complexes. It has been found that a (XyPhDI)Ir center can cleave and add the C-C bond of acetonitrile. This has implications for cyanation chemistry and the cleavage and functionalization of strong bonds more generally.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Elsevier","journal_name":"Polyhedron","journal_issue":"C","journal_volume":"251","format":"Medium: X; Size: Article No. 116853","authors":["Das, Soumyadipa","Mandal, Souvik","Malakar, Santanu","Emge, Thomas J.","Goldman, Alan S. (ORCID:000000022774710X)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","C-C bond cleavage","metal-ligand bond strengths","Iridium","pincer ligands","phenyldiimine","cyanation"],"article_type":"Published Article","doe_contract_number":"SC0020139","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Rutgers Univ., Piscataway, NJ (United States)"}],"research_orgs":["Rutgers Univ., Piscataway, NJ (United States)"],"journal_issn":"ISSN 0277-5387","other_identifiers":["Journal ID: ISSN 0277-5387; S0277538724000299; 116853; PII: S0277538724000299"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316092"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316092"}]}, {"osti_id":"2251552","title":"Dynamic spall properties of an additively manufactured, high-entropy alloy (CoCrFeMnNi)","report_number":"LA-UR-22-32225","doi":"10.1016/j.mtla.2023.101998","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Materialia Journal Volume: 33 Journal Issue: C","description":"The dynamic spall properties of an additively manufactured (AM), CoCrFeMnNi high-entropy alloy (HEA) were investigated as a function of processing defects. Laser Powder Bed Fusion (LPBF) was used to additively manufacture HEA samples that were subsequently subjected to shock loading through plate impact experiments. Seven different combinations of laser power and scan speeds were explored, ranging from 180 to 280 W and 925–1350 mm/s, respectively. All samples were considered within the bounds of lack-of-fusion and keyholing defects based on initial experiments, but exhibited varying degrees of solidification cracking and microstructural changes. Grain size and grain aspect ratio were found to modestly decrease with faster scan speeds and lower laser powers, while cracking associated with the AM process increased with faster scan speeds and higher laser powers. Spall strength and spall damage did not systematically trend with microstructural characteristics such as grain size, but did exhibit a relationship with pre-existing crack density. Spall properties were found to generally degrade with increasing crack density. Evidence of defect compaction was not observed in soft recovered spall samples, thus pre-existing cracks were proposed to degrade spall properties by acting as stress concentrators and preferred damage nucleation sites during tensile impact loading. Here, the presence of manufacturing-related defects, such as cracks, dominated the dynamic response; however, in the absence of these defects, microstructural changes like grain size and texture would be expected to control dynamic behavior.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2023-12-28T00:00:00Z","publisher":"Elsevier","journal_name":"Materialia","journal_issue":"C","journal_volume":"33","format":"Medium: X; Size: Article No. 101998","authors":["Euser, V. K. (ORCID:0000000343275816)","Mangan, A. S. (ORCID:0000000182446986)","Jones, D. R.","Martinez, D. T.","Steckley, T. E.","Agrawal, A. K. (ORCID:0000000232173569)","Thoma, D. J. (ORCID:0000000158073219)","Fensin, S. J. (ORCID:0000000181355353)"],"subjects":["36 MATERIALS SCIENCE","dynamic strength","spall damage","shock loading","additive manufacturing","high entropy alloy"],"article_type":"Published Article","doe_contract_number":"NA0003921; 89233218CNA000001","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"},{"name":"Georgia Institute of Technology, Atlanta, GA (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)","Georgia Institute of Technology, Atlanta, GA (United States)"],"journal_issn":"ISSN 2589-1529","other_identifiers":["Journal ID: ISSN 2589-1529; S2589152923003253; 101998; PII: S2589152923003253"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2251552"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2251552"}]}, {"osti_id":"2293603","title":"Morphological analysis of iridium oxide anode catalyst layers for proton exchange membrane water electrolysis using high-resolution imaging","report_number":"NREL/JA-5K00-88803","doi":"10.1016/j.ijhydene.2024.02.020","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: International Journal of Hydrogen Energy Journal Volume: 59 Journal Issue: C","description":"This work demonstrates the application of high-resolution, 3D imaging to characterize micro- and nano-scale features of iridium oxide (IrO<sub>2<\/sub>) anode catalyst layers (CLs) in proton exchange membrane water electrolysis (PEMWE). Scanning electron microscopy (SEM) and nanoscale X-ray computed tomography (nano-CT) reveal differences in micro-scale features between spray-coated and blade-coated CLs, and in blade-coated CLs along the fabrication and testing timeline. The electrode thickness distribution of the tested blade-coated CL suggests increased thinning of regions compressed by titanium fibers of the porous transport layer (PTL). Ultra-high-resolution imaging of Xe-plasma focused ion beam with SEM (pFIB-SEM) with the development of a segmentation method is used to investigate nano-scale features between these regions of the tested blade-coated CL, showing variations in porosity and pore sizes. The findings provide insights and modeling inputs for the morphology of PEMWE anode CLs towards a better understanding of the relationship between fabrication, operation, and transport behavior.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Elsevier","journal_name":"International Journal of Hydrogen Energy","journal_issue":"C","journal_volume":"59","format":"Medium: X; Size: p. 176-186","authors":["Ferner, Kara J.","Park, Janghoon (ORCID:0000000258974241)","Kang, Zhenye (ORCID:0000000217310705)","Mauger, Scott A. (ORCID:0000000327875029)","Ulsh, Michael","Bender, Guido (ORCID:0000000337774707)","Litster, Shawn"],"subjects":["08 HYDROGEN","anode catalyst layer","morphological characterization","pFIB-SEM","proton exchange membrane electrolysis","X-ray computed tomography"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308; 1229090; 1428480; MCF-677785.","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO)","National Science Foundation (NSF)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 0360-3199","other_identifiers":["Journal ID: ISSN 0360-3199; S0360319924004312; PII: S0360319924004312"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293603"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293603"}]}, {"osti_id":"2322501","title":"Engineered $\\mathrm{Ru}$ on $\\mathrm{HY}$ zeolite catalyst for continuous and selective hydrodeoxygenation of lignin phenolics to cycloalkanes under moderate conditions","report_number":"PNNL-SA-195736","doi":"10.1016/j.apcata.2024.119649","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Catalysis. A, General; Journal Volume: 676","description":"Here we report a continuous selective hydrodeoxygenation (HDO) process of guaiacol conversion to cycloalkanes under 180 °C/1 MPa, which results in improved HDO chemistry for lignin-based jet fuel production. The incipient wetness impregnation method was modified to prepare an HY zeolite-supported Ru catalyst with better metal dispersion and acid site uniformity, which overcomes the low conversion and selectivity of previous literature. The modified catalyst (Ru-HY-60-MI) was tested in a continuous fixed bed reactor, resulting in increased HDO conversion of guaiacol to cycloalkanes compared to the unmodified catalyst. Pressure, temperature, and weight hourly space velocity-dependent tests validate guaiacol HDO over Ru-HY-60-MI catalyzed ring hydrogenation of guaiacol to 2-methoxycyclohexanol, acid-catalyzed demethoxylation and dehydration to cyclohexene, and further hydrogenation of cyclohexene to cyclohexane. These experiments enable exploring a continuous HDO process, demonstrate effectiveness for other ß-ß and a-O-4 lignin representatives and real lignin bio-oil, and pave the way towards commercialization of lignin-based jet fuel","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Elsevier","journal_name":"Applied Catalysis. A, General","journal_volume":"676","format":"Medium: ED; Size: Article No. 119649","authors":["Adarsh Kumar, Fnu [Washington State University, Richland, WA (United States); National Renewable Energy Laboratory (NREL), Golden, CO (United States). Renewable Resources and Enabling Science Center]","Kumar, Abhishek [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Santosa, Daniel M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Wang, Huamin [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Zuo, Peng [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)]","Wang, Chongmin [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)] (ORCID:0000000333270958)","Mittal, Ashutosh [National Renewable Energy Laboratory (NREL), Golden, CO (United States). Renewable Resources and Enabling Science Center]","Gieleciak, Rafal [Natural Resources Canada, Devon (Canada)]","Klein, Darryl P. [Advanced Refining Technologies, LLC, Baltimore, MD (United States)]","Manto, Michael [Advanced Refining Technologies, LLC, Baltimore, MD (United States)] (ORCID:0000000153147717)","Yang, Bin [Washington State University, Richland, WA (United States)]"],"subjects":["continuous hydrodeoxygenation","engineered catalyst","cycloalkanes","lignin bio-oil","moderate conditions","sustainable biorefinery"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; EE0009257; EE-0008250","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"},{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)","National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 0926-860X","other_identifiers":["Journal ID: ISSN 0926-860X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322501"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322501"}]}, {"osti_id":"2320357","title":"Ground Heat Flux Reconstruction Using Bayesian Uncertainty Quantification Machinery and Surrogate Modeling","report_number":"SAND-2024-02762J","doi":"10.1029/2023ea003435","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Earth and Space Science; Journal Volume: 11; Journal Issue: 3","description":"Ground heat flux (G<sub>0<\/sub>) is a key component of the land-surface energy balance of high-latitude regions. Despite its crucial role in controlling permafrost degradation due to global warming, G<sub>0<\/sub> is sparsely measured and not well represented in the outputs of global scale model simulation. In this study, an analytical heat transfer model is tested to reconstruct G<sub>0<\/sub> across seasons using soil temperature series from field measurements, Global Climate Model, and climate reanalysis outputs. The probability density functions of ground heat flux and of model parameters are inferred using available G<sub>0<\/sub> data (measured or modeled) for snow-free period as a reference. When observed G<sub>0<\/sub> is not available, a numerical model is applied using estimates of surface heat flux (dependent on parameters) as the top boundary condition. These estimates (and thus the corresponding parameters) are verified by comparing the distributions of simulated and measured soil temperature at several depths. Aided by state-of-the-art uncertainty quantification methods, the developed G<sub>0<\/sub> reconstruction approach provides novel means for assessing the probabilistic structure of the ground heat flux for regional permafrost change studies.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Earth and Space Science","journal_issue":"3","journal_volume":"11","format":"Medium: ED; Size: Article No. e2023EA003435","authors":["Zhou, Wenbo [Univ. of Michigan, Ann Arbor, MI (United States)] (ORCID:0000000340101466)","Zhang, Liujing [Univ. of Michigan, Ann Arbor, MI (United States)]","Sheshukov, Aleksey [Kansas State Univ., Manhattan, KS (United States)] (ORCID:000000024842908X)","Wang, Jingfeng [Georgia Institute of Technology, Atlanta, GA (United States)] (ORCID:0000000225486372)","Zhu, Modi [Georgia Institute of Technology, Atlanta, GA (United States)] (ORCID:0000000254751841)","Sargsyan, Khachik [Sandia National Laboratories (SNL-CA), Livermore, CA (United States)] (ORCID:000000021037786X)","Xu, Donghui [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000228592664)","Liu, Desheng [The Ohio State Univ., Columbus, OH (United States)]","Zhang, Tianqi [The Ohio State Univ., Columbus, OH (United States)] (ORCID:0000000309670599)","Mazepa, Valeriy [Russian Academy of Sciences (RAS), Yekaterinburg (Russian Federation)] (ORCID:0000000348733871)","Sokolov, Alexandr [Russian Academy of Sciences (RAS), Labytnangi (Russian Federation)]","Valdayskikh, Victor [Ural Federal Univ., Yekaterinburg (Russian Federation)] (ORCID:0000000194408522)","Ivanov, Valeriy [Univ. of Michigan, Ann Arbor, MI (United States)] (ORCID:0000000252082189)"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525; RFBR-19-05-00756; 2126792; 2126793; 2126797; 2126798; 1725654; 1724868; 1724633; 1724786","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"National Science Foundation (NSF)"},{"name":"Russian Foundation for Basic Research (RFBR)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","National Science Foundation (NSF)","Russian Foundation for Basic Research (RFBR)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-CA), Livermore, CA (United States)"}],"research_orgs":["Sandia National Lab. (SNL-CA), Livermore, CA (United States)"],"journal_issn":"ISSN 2333-5084","other_identifiers":["Journal ID: ISSN 2333-5084"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320357"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2320357"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320357"}]}, {"osti_id":"2280745","title":"Fabrication of thin diamond membranes by\n <math altimg=\'si1.svg\'>\n <msup>\n <mrow>\n <mrow>\n <mi mathvariant=\'normal\'>Ne<\/mi>\n <\/mrow>\n <\/mrow>\n <mo>+<\/mo>\n <\/msup>\n <\/math>\n implantation","report_number":"SAND-2024-02430J","doi":"10.1016/j.giant.2024.100238","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Giant Journal Volume: 17 Journal Issue: C","description":"Color centers in diamond are one of the most promising tools for quantum information science. Of particular interest is the use of single-crystal diamond membranes with nanoscale-thickness as hosts for color centers. Indeed, such structures guarantee a better integration with a variety of other quantum materials or devices, which can aid the development of diamond-based quantum technologies, from nanophotonics to quantum sensing. A common approach for membrane production is what is known as “smart-cut”, a process where membranes are exfoliated from a diamond substrate after the creation of a thin sub-surface amorphous carbon layer by He<sup>+<\/sup> implantation. Due to the high ion fluence required, this process can be time-consuming. In this work, we demonstrated the production of thin diamond membranes by neon implantation of diamond substrates. With the target of obtaining membranes of ~200 nm thickness and finding the critical damage threshold, we implanted different diamonds with 300 keV Ne<sup>+<\/sup> ions at different fluences. We characterized the structural properties of the implanted diamonds and the resulting membranes through SEM, Raman spectroscopy, and photoluminescence spectroscopy. We also found that a SRIM model based on a two-layer diamond/sp<sup>2<\/sup> -carbon target better describes ion implantation, allowing us to estimate the diamond critical damage threshold for Ne<sup>+<\/sup> implantation. Compared to He<sup>+<\/sup> smart-cut, the use of a heavier ion like Ne<sup>+<\/sup> results in a ten-fold decrease in the ion fluence required to obtain diamond membranes and allows to obtain shallower smart-cuts, i.e. thinner membranes, at the same ion energy.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-01-23T00:00:00Z","publisher":"Elsevier","journal_name":"Giant","journal_issue":"C","journal_volume":"17","format":"Medium: X; Size: Article No. 100238","authors":["Basso, Luca (ORCID:0000000279419976)","Titze, Michael","Henshaw, Jacob","Kehayias, Pauli","Cong, Rong","Ziabari, Maziar Saleh","Lu, Tzu-Ming","Lilly, Michael P.","Mounce, Andrew M."],"subjects":["36 MATERIALS SCIENCE","Diamond membranes","Smart-cut","Color centers","Quantum information science"],"article_type":"Published Article","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 2666-5425","other_identifiers":["Journal ID: ISSN 2666-5425; S2666542524000031; 100238; PII: S2666542524000031"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2280745"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2280745"}]}, {"osti_id":"2317708","title":"Spatiotemporal metabolic responses to water deficit stress in distinct leaf cell-types of poplar","report_number":"PNNL-SA-193284","doi":"10.3389/fpls.2024.1346853","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Plant Science Journal Volume: 15","description":"<p>\n The impact of water-deficit (WD) stress on plant metabolism has been predominantly studied at the whole tissue level. However, plant tissues are made of several distinct cell types with unique and differentiated functions, which limits whole tissue ‘omics’-based studies to determine only an averaged molecular signature arising from multiple cell types. Advancements in spatial omics technologies provide an opportunity to understand the molecular mechanisms underlying plant responses to WD stress at distinct cell-type levels. Here, we studied the spatiotemporal metabolic responses of two poplar (\n <italic>Populus tremula× P. alba<\/italic>\n ) leaf cell types -palisade and vascular cells- to WD stress using matrix-assisted laser desorption/ionization-mass spectrometry imaging (MALDI-MSI). We identified unique WD stress-mediated metabolic shifts in each leaf cell type when exposed to early and prolonged WD stresses and recovery from stress. During water-limited conditions, flavonoids and phenolic metabolites were exclusively accumulated in leaf palisade cells. However, vascular cells mainly accumulated sugars and fatty acids during stress and recovery conditions, respectively, highlighting the functional divergence of leaf cell types in response to WD stress. By comparing our MALDI-MSI metabolic data with whole leaf tissue gas chromatography-mass spectrometry (GC-MS)-based metabolic profile, we identified only a few metabolites including monosaccharides, hexose phosphates, and palmitic acid that showed a similar accumulation trend at both cell-type and whole leaf tissue levels. Overall, this work highlights the potential of the MSI approach to complement the whole tissue-based metabolomics techniques and provides a novel spatiotemporal understanding of plant metabolic responses to WD stress. This will help engineer specific metabolic pathways at a cellular level in strategic perennial trees like poplars to help withstand future aberrations in environmental conditions and to increase bioenergy sustainability.\n <\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Plant Science","journal_volume":"15","format":"Medium: X","authors":["Balasubramanian, Vimal Kumar","Veličković, Dušan","Rubio Wilhelmi, Maria Del Mar","Anderton, Christopher R.","Stewart, Jr., C. Neal","DiFazio, Stephen","Blumwald, Eduardo","Ahkami, Amir H."],"subjects":["palisade mesophyll","vascular","MALDI-MSI imaging","spatial metabolomics","secondary metabolites","drought"],"article_type":"Published Article","doe_contract_number":"SC0018347; AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 1664-462X","other_identifiers":["Journal ID: ISSN 1664-462X; 1346853"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317708"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317708"}]}, {"osti_id":"2317716","title":"Assessing electrogenetic activation via a network model of biological signal propagation","doi":"10.3389/fsysb.2024.1291293","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Systems Biology Journal Volume: 4","description":"<p>\n <bold>Introduction:<\/bold>\n Molecular communication is the transfer of information encoded by molecular structure and activity. We examine molecular communication within bacterial consortia as cells with diverse biosynthetic capabilities can be assembled for enhanced function. Their coordination, both in terms of engineered genetic circuits within individual cells as well as their population-scale functions, is needed to ensure robust performance. We have suggested that “electrogenetics,” the use of electronics to activate specific genetic circuits, is a means by which electronic devices can mediate molecular communication, ultimately enabling programmable control.\n <\/p>\n <p>\n <bold>Methods:<\/bold>\n Here, we have developed a graphical network model for dynamically assessing electronic and molecular signal propagation schemes wherein nodes represent individual cells, and their edges represent communication channels by which signaling molecules are transferred. We utilize graph properties such as edge dynamics and graph topology to interrogate the signaling dynamics of specific engineered bacterial consortia.\n <\/p>\n <p>\n <bold>Results:<\/bold>\n We were able to recapitulate previous experimental systems with our model. In addition, we found that networks with more distinct subpopulations (high network modularity) propagated signals more slowly than randomized networks, while strategic arrangement of subpopulations with respect to the inducer source (an electrode) can increase signal output and outperform otherwise homogeneous networks.\n <\/p>\n <p>\n <bold>Discussion:<\/bold>\n We developed this model to better understand our previous experimental results, but also to enable future designs wherein subpopulation composition, genetic circuits, and spatial configurations can be varied to tune performance. We suggest that this work may provide insight into the signaling which occurs in synthetically assembled systems as well as native microbial communities.\n <\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Systems Biology","journal_volume":"4","format":"Medium: X","authors":["Chun, Kayla","VanArsdale, Eric","May, Elebeoba","Payne, Gregory F.","Bentley, William E."],"article_type":"Published Article","doe_contract_number":"BER#SCW1710","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2674-0702","other_identifiers":["Journal ID: ISSN 2674-0702; 1291293"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317716"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317716"}]}, {"osti_id":"2284034","title":"MXene-antenna electrode with collective multipole resonances","doi":"10.1039/D3NR03828A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nanoscale Journal Volume: 16 Journal Issue: 9","description":"<p>The work explores multipolar excitations in and utilization of nanostructured transition metal carbides and nitrides (MXene) layers in designing a photodetector electrode that exhibits enhanced response through hot-electron generation.<\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Nanoscale","journal_issue":"9","journal_volume":"16","format":"Medium: X; Size: p. 4656-4667","authors":["Karimi, Vahid [Department of Electrical and Computer Engineering, University of New Mexico, Albuquerque, New Mexico 87131, USA] (ORCID:0000000163206290)","Babicheva, Viktoriia E. [Department of Electrical and Computer Engineering, University of New Mexico, Albuquerque, New Mexico 87131, USA] (ORCID:0000000207895738)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"Contract 89233218CNA000001; Contract DE-NA-0003525; 2375849","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2040-3364","other_identifiers":["Journal ID: ISSN 2040-3364; NANOHL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284034"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284034"}]}, {"osti_id":"2317682","title":"Reversed-direction 2-point modelling applied to divertor conditions in DIII-D\n <sup>*<\/sup>","doi":"10.1088/1361-6587/ad2b90","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Plasma Physics and Controlled Fusion Journal Volume: 66 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>\n A predictive form of the extended 2-point model known as the ‘reverse 2-point model’, Rev2PM, is applied to a range of detachment levels in the open lower divertor of DIII-D, showing that the experimentally measured electron temperature (\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n ) and pressure (\n <italic>\n p\n <sub>e<\/sub>\n <\/italic>\n ) at the divertor entrance can be calculated within 50% from target measurements, if and only if\n <italic>a posteriori<\/italic>\n corrections for convective heat flux are included in the model. Unlike the standard 2-point model, the Rev2PM calculates upstream scrape-off layer (SOL) quantities (such as separatrix\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n and\n <italic>\n p\n <sub>e<\/sub>\n <\/italic>\n ) from target conditions (such as\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n and parallel heat flux), with volumetric power and momentum losses depending solely on target\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n . The Rev2PM is tested against a database of DIII-D inter-ELM divertor Thomson scattering measurements, built from a series of 6 MW, 1.3 MA, LSN H-mode discharges with varied main ion density, drift direction, and nitrogen puffing rate. Measured target\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n ranged from 0.4–25 eV over this database, and upstream\n <italic>\n T\n <sub>e<\/sub>\n <\/italic>\n ranged from 5–60 eV. Poor agreement is found between upstream measurements and Rev2PM calculations that assume purely conductive parallel heat transport. However, introducing\n <italic>a posteriori<\/italic>\n corrections to account for convective heat transport brings the Rev2PM calculations within 50% of the measured upstream values across the dataset. These corrections imply that up to 99% of the parallel heat flux is carried by convection in detached conditions in the DIII-D open lower divertor, though further work is required to assess any potential dependencies on device size or divertor closure.\n <\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"IOP Publishing","journal_name":"Plasma Physics and Controlled Fusion","journal_issue":"4","journal_volume":"66","format":"Medium: X; Size: Article No. 045013","authors":["Nichols, J. H. (ORCID:0000000196292252)","Stangeby, P. C. (ORCID:0000000235112286)","McLean, A. G.","Canik, J. M.","Moser, A. L.","Shafer, M. W. (ORCID:0000000198086305)","Wang, H. Q. (ORCID:0000000319202799)"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0741-3335","other_identifiers":["Journal ID: ISSN 0741-3335"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317682"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317682"}]}, {"osti_id":"2283591","title":"Flavor structure of the energy-momentum tensor form factors of the proton","report_number":"JLAB-THY-23-3754; arXiv:2302.02974; DOE/OR/23177-5711","doi":"10.1016/j.physletb.2024.138489","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Physics Letters. B Journal Volume: 850 Journal Issue: C","description":"The energy-momentum tensor form factors furnish information on the mechanics of the proton. It is essential to compute the generalized isovector-vector form factors to examine the flavor structure of the energy-momentum tensor form factors. The flavor-decomposed form factors reveal the internal structure of the proton. The up quark dominates over the down quark for the mass and spin of the proton, whereas the down quark takes over the up quark for the $D$-term form factor. We investigate for the first time the isovector $\\overline{c}$($t$) form factor of the proton and its physical implications. The flavor-decomposed $\\overline{c}$($t$) form factors of the proton unveil how the up-quark contribution is exactly canceled by the down-quark contribution inside a proton within the framework of the pion mean-field approach. While the proton $\\overline{c}$($t$) form factor does not contribute to the proton mass, its flavor structure sheds light on how the strong force fields due to the $\\overline{c}$($t$) form factor characterize the stability of the proton.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Elsevier","journal_name":"Physics Letters. B","journal_issue":"C","journal_volume":"850","format":"Medium: X; Size: Article No. 138489","authors":["Won, Ho-Yeon","Kim, Hyun-Chul (ORCID:0000000287188661)","Kim, June-Young"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","Energy-momentum tensor form factors of the proton","Flavor decomposition","$\\overline{c}$ form factors","Pion mean-field approach"],"article_type":"Published Article","doe_contract_number":"AC05-06OR23177; 2021R1A2C2093368; 2018R1A5A1025563; 141295X","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"Ministry of Education, Science and Technology (MEST)"},{"name":"Ministère de l\'Europe et des Affaires Étrangères (MEAE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","Ministry of Education, Science and Technology (MEST)","Ministère de l\'Europe et des Affaires Étrangères (MEAE)"],"orgs_research":[{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"}],"research_orgs":["Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"],"journal_issn":"ISSN 0370-2693","other_identifiers":["Journal ID: ISSN 0370-2693; S0370269324000479; 138489; PII: S0370269324000479"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283591"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283591"}]}, {"osti_id":"2320356","title":"Transferable Hirshfeld atom model for rapid evaluation of aspherical atomic form factors","doi":"10.1107/s2052252524001507","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: IUCrJ; Journal Volume: 11; Journal Issue: 2","description":"Form factors based on aspherical models of atomic electron density have brought great improvement in the accuracies of hydrogen atom parameters derived from X-ray crystal structure refinement. Today, two main groups of such models are available, the banks of transferable atomic densities parametrized using the Hansen–Coppens multipole model which allows for rapid evaluation of atomic form factors and Hirshfeld atom refinement (HAR)-related methods which are usually more accurate but also slower. In this work, a model that combines the ideas utilized in the two approaches is tested. It uses atomic electron densities based on Hirshfeld partitions of electron densities, which are precalculated and stored in a databank. This model was also applied during the refinement of the structures of five small molecules. A comparison of the resulting hydrogen atom parameters with those derived from neutron diffraction data indicates that they are more accurate than those obtained with the Hansen–Coppens based databank, and only slightly less accurate than those obtained with a version of HAR that neglects the crystal environment. The advantage of using HAR becomes more noticeable when the effects of the environment are included. To speed up calculations, atomic densities were represented by multipole expansion with spherical harmonics up to l = 7, which used numerical radial functions (a different approach to that applied in the Hansen–Coppens model). Calculations of atomic form factors for the small protein crambin (at 0.73 Å resolution) took only 68 s using 12 CPU cores.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"International Union of Crystallography","journal_name":"IUCrJ","journal_issue":"2","journal_volume":"11","format":"Medium: ED; Size: p. 249-259","authors":["Chodkiewicz, Michał [Univ. of Warsaw (Poland)] (ORCID:000000034448445X)","Patrikeev, Leonid [Univ. of Warsaw (Poland)] (ORCID:0000000241110105)","Pawlędzio, Sylwia [Univ. of Warsaw (Poland); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000308863022)","Woźniak, Krzysztof [Univ. of Warsaw (Poland)]"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","transferable Hirshfeld atom model","quantum crystallography","aspherical atom refinement","TAAM","HAR"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; DEC-2018/31/B/ST4/0214; PLG/2021/014691","orgs_sponsor":[{"name":"USDOE"},{"name":"Polish National Science Centre (NCN)"},{"name":"ACK Cyfronet AGH"}],"sponsor_orgs":["USDOE","Polish National Science Centre (NCN)","ACK Cyfronet AGH"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2052-2525","other_identifiers":["Journal ID: ISSN 2052-2525"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320356"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2320356"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320356"}]}, {"osti_id":"2323591","title":"Age-specific case data reveal varying dengue transmission intensity in US states and territories","doi":"10.1371/journal.pntd.0011143","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: PLoS Neglected Tropical Diseases (Online) Journal Volume: 18 Journal Issue: 3","description":"<p>Dengue viruses (DENV) are endemic in the US territories of Puerto Rico, American Samoa, and the US Virgin Islands, with focal outbreaks also reported in the states of Florida and Hawaii. However, little is known about the intensity of dengue virus transmission over time and how dengue viruses have shaped the level of immunity in these populations, despite the importance of understanding how and why levels of immunity against dengue may change over time. These changes need to be considered when responding to future outbreaks and enacting dengue management strategies, such as guiding vaccine deployment. We used catalytic models fitted to case surveillance data stratified by age from the ArboNET national arboviral surveillance system to reconstruct the history of recent dengue virus transmission in Puerto Rico, American Samoa, US Virgin Islands, Florida, Hawaii, and Guam. We estimated average annual transmission intensity (i.e., force of infection) of DENV between 2010 and 2019 and the level of seroprevalence by age group in each population. We compared models and found that assuming all reported cases are secondary infections generally fit the surveillance data better than assuming all cases are primary infections. Using the secondary case model, we found that force of infection was highly heterogeneous between jurisdictions and over time within jurisdictions, ranging from 0.00008 (95% CrI: 0.00002–0.0004) in Florida to 0.08 (95% CrI: 0.044–0.14) in American Samoa during the 2010–2019 period. For early 2020, we estimated that seropositivity in 10 year-olds ranged from 0.09% (0.02%–0.54%) in Florida to 56.3% (43.7%–69.3%) in American Samoa. In the absence of serological data, age-specific case notification data collected through routine surveillance combined with mathematical modeling are powerful tools to monitor arbovirus circulation, estimate the level of population immunity, and design dengue management strategies.<\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Public Library of Science (PLoS)","journal_name":"PLoS Neglected Tropical Diseases (Online)","journal_issue":"3","journal_volume":"18","format":"Medium: X; Size: Article No. e0011143","authors":["Kada, Sarah (ORCID:0000000200210492)","Paz-Bailey, Gabriela","Adams, Laura E.","Johansson, Michael A.","Rosa, ed., Bruce A."],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1935-2735","other_identifiers":["Journal ID: ISSN 1935-2735; 10.1371/journal.pntd.0011143"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323591"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323591"}]}, {"osti_id":"2319254","title":"Corrigendum: Application of the Multi-Species, Multi-Reaction Model to Coal-Derived Graphite for Lithium-Ion Batteries [\n J. Electrochem. Soc., 171, 023501 (2024)]","doi":"10.1149/1945-7111/ad2e80","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society Journal Volume: 171 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Acknowledgements: This was supported by the U.S. Department of Energy under Award Number DE-FE0032144, \"Utilization of Carbon Supply Chain Wastes and Byproducts to Manufacture Graphite for Energy Storage Applications.\"<\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"Journal of the Electrochemical Society","journal_issue":"3","journal_volume":"171","format":"Medium: X; Size: Article No. 039001","authors":["Paul, Abigail (ORCID:0000000172892069)","Magee, Regan","Wilczewski, Warren","Wichert, Nathan","Gula, Caleb","Olson, Rudolph","Shereda, Eric","Al-Majali, Yahya","Trembly, Jason (ORCID:0000000298512914)","Wolfe, Kody (ORCID:0000000264520107)","Staser, John A. (ORCID:0000000228328687)","Garrick, Taylor R. (ORCID:0000000322518129)"],"article_type":"Published Article","doe_contract_number":"FE0032144","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319254"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319254"}]}, {"osti_id":"2316096","title":"A Theory for Neutron Star and Black Hole Kicks and Induced Spins","doi":"10.3847/1538-4357/ad2353","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 963 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Using 20 long-term 3D core-collapse supernova simulations, we find that lower compactness progenitors that explode quasi-spherically due to the short delay to explosion experience smaller neutron star recoil kicks in the ∼100−200 km s\n <sup>−1<\/sup>\n range, while higher compactness progenitors that explode later and more aspherically leave neutron stars with kicks in the ∼300−1000 km s\n <sup>−1<\/sup>\n range. In addition, we find that these two classes are correlated with the gravitational mass of the neutron star. This correlation suggests that the survival of binary neutron star systems may in part be due to their lower kick speeds. We also find a correlation between the kick and both the mass dipole of the ejecta and the explosion energy. Furthermore, one channel of black hole birth leaves masses of ∼10\n <italic>M<\/italic>\n <sub>⊙<\/sub>\n , is not accompanied by a neutrino-driven explosion, and experiences small kicks. A second channel is through a vigorous explosion that leaves behind a black hole with a mass of ∼3.0\n <italic>M<\/italic>\n <sub>⊙<\/sub>\n kicked to high speeds. We find that the induced spins of nascent neutron stars range from seconds to ∼10 ms, but do not yet see a significant spin/kick correlation for pulsars. We suggest that if an initial spin biases the explosion direction, a spin/kick correlation would be a common byproduct of the neutrino mechanism of core-collapse supernovae. Finally, the induced spin in explosive black hole formation is likely large and in the collapsar range. This new 3D model suite provides a greatly expanded perspective and appears to explain some observed pulsar properties by default.\n <\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"1","journal_volume":"963","format":"Medium: X; Size: Article No. 63","authors":["Burrows, Adam (ORCID:0000000230995024)","Wang, Tianshu (ORCID:0000000200429873)","Vartanyan, David (ORCID:0000000319389282)","Coleman, Matthew S. B. (ORCID:0000000159395957)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316096"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316096"}]}, {"osti_id":"2317695","title":"Nucleon axial-vector form factor and radius from future neutrino experiments","report_number":"LA-UR-22-32611; FERMILAB-PUB-23-420-T; arXiv:2309.02509","doi":"10.1103/PhysRevD.109.L051301","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D. Journal Volume: 109 Journal Issue: 5","description":"Precision measurements of antineutrino elastic scattering on hydrogen from future neutrino experiments offer a unique opportunity to access the low-energy structure of protons and neutrons. We discuss the determination of the nucleon axial-vector form factor and radius from antineutrino interactions on hydrogen that can be collected at the future Long-Baseline Neutrino Facility and study the sources of theoretical and experimental uncertainties. The projected accuracy would improve existing measurements by 1 order of magnitude and be competitive with contemporary lattice-QCD determinations, potentially helping to resolve the corresponding tension with measurements from (anti)neutrino elastic scattering on deuterium. We find that the current knowledge of the nucleon vector form factors could be one of the dominant sources of uncertainty. We also evaluate the constraints that can be simultaneously obtained on the absolute $\\bar{ν}_μ$ flux normalization.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. D.","journal_issue":"5","journal_volume":"109","format":"Medium: X","authors":["Petti, Roberto","Hill, Richard J. (ORCID:000000031982589X)","Tomalak, Oleksandr (ORCID:0000000248275842)"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS","72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","electroweak radiative corrections","form factors","nonperturbative effects in field theory","particle interactions","QCD phenomenology","total cross sections","neutrinos","nucleons","Atomic, Nuclear and Particle Physics"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001; SC0019095; 20210968PRD4; 20210190ER; 20240127ER; AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)","USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"},{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)","Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; PRVDAQ; L051301"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317695"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317695"}]}, {"osti_id":"2320245","title":"Space-Time Structured Plasma Waves","doi":"10.1103/physrevlett.132.095101","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters; Journal Volume: 132; Journal Issue: 9","description":"Electrostatic waves play a critical role in nearly every branch of plasma physics from fusion to advanced accelerators, to astro, solar, and ionospheric physics. The properties of planar electrostatic waves are fully determined by the plasma conditions, such as density, temperature, ionization state, or details of the distribution functions. Furthermore we demonstrate that electrostatic wave packets structured with space-time correlations can have properties that are independent of the plasma conditions. For instance, an appropriately structured electrostatic wave packet can travel at any group velocity, even backward with respect to its phase fronts, while maintaining a localized energy density. These linear, propagation-invariant wave packets can be constructed with or without orbital angular momentum by superposing natural modes of the plasma and can be ponderomotively excited by space-time structured laser pulses like the flying focus.","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review Letters","journal_issue":"9","journal_volume":"132","format":"Medium: ED; Size: Article No. 095101","authors":["Palastro, J. P. [University of Rochester, NY (United States)] (ORCID:0000000267211924)","Miller, K. G. [University of Rochester, NY (United States)] (ORCID:0000000348269001)","Follett, R. K. [University of Rochester, NY (United States)]","Ramsey, D. [University of Rochester, NY (United States)] (ORCID:0000000265565139)","Weichman, K. [University of Rochester, NY (United States)] (ORCID:0000000234877922)","Arefiev, A. V. [University of California at San Diego, La Jolla, CA (United States)] (ORCID:0000000205970976)","Froula, D. H. [University of Rochester, NY (United States)] (ORCID:0000000169813956)"],"subjects":["Laser-plasma interactions","Plasma waves","Ultrafast optics"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003856; SC0023423; SC0021057","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Univ. of Rochester, NY (United States)"}],"research_orgs":["Univ. of Rochester, NY (United States)"],"journal_issn":"ISSN 0031-9007","other_identifiers":["Journal ID: ISSN 0031-9007"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320245"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320245"}]}, {"osti_id":"2316074","title":"Elastic deformation as a tool to investigate watershed storage connectivity","doi":"10.1038/s43247-024-01264-3","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Communications Earth & Environment Journal Volume: 5 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Storage-discharge relationships and dynamic changes in storage connectivity remain key unknowns in understanding and predicting watershed behavior. In this study, we use Global Positioning System measurements of load-induced Earth surface displacement as a proxy for total water storage change in four climatologically diverse mountain watersheds in the western United States. Comparing total water storage estimates with stream-connected storage derived from hydrograph analysis, we find that each of the investigated watersheds exhibits a characteristic seasonal pattern of connection and disconnection between total and stream-connected storage. We investigate how the degree and timing of watershed-scale connectivity is related to the timing of precipitation and seasonal changes in dominant hydrologic processes. Our results show that elastic deformation of the Earth due to water loading is a powerful new tool for elucidating dynamic storage connectivity and watershed discharge response across scales in space and time.<\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Communications Earth & Environment","journal_issue":"1","journal_volume":"5","format":"Medium: X","authors":["Clayton, Noah","Knappe, Ellen","White, Alissa M.","Martens, Hilary R.","Argus, Donald F.","Lau, Nicholas","Borsa, Adrian A. (ORCID:0000000299391480)","Bendick, Rebecca","Payton Gardner, W. (ORCID:000000030664001X)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2662-4435","other_identifiers":["Journal ID: ISSN 2662-4435; 110; PII: 1264"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316074"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316074"}]}, {"osti_id":"2316064","title":"Seasonality and longer-term development generate temporal dynamics in the\n <i>Populus<\/i>\n microbiome","doi":"10.1128/msystems.00886-23","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: mSystems","description":"<title>ABSTRACT<\/title>\n <sec>\n <title/>\n <p>\n Temporal variation in community composition is central to our understanding of the assembly and functioning of microbial communities, yet the controls over temporal dynamics for microbiomes of long-lived plants, such as trees, remain unclear. Temporal variation in tree microbiomes could arise primarily from seasonal (i.e., intra-annual) fluctuations in community composition or from longer-term changes across years as host plants age. To test these alternatives, we experimentally isolated temporal variation in plant microbiome composition using a common garden and clonally propagated plants, and we used amplicon sequencing to characterize bacterial/archaeal and fungal communities in the leaf endosphere, root endosphere, and rhizosphere of two\n <italic>Populus<\/italic>\n spp. over four seasons across two consecutive years. Microbial community composition differed among seasons and years (which accounted for up to 21% of the variation in microbial community composition) and was correlated with seasonal dissimilarity in climatic conditions. However, microbial community dissimilarity was also positively correlated with time, reflecting longer-term compositional shifts as host trees aged. Together, our findings demonstrate that temporal patterns in tree microbiomes arise from both seasonal fluctuations and longer-term changes, which interact to generate unique seasonal patterns each year. In addition to shedding light on two important controls over the assembly of plant microbiomes, our results also suggest future studies of tree microbiomes should account for background temporal dynamics when testing the drivers of spatial patterns in microbial community composition and temporal responses of plant microbiomes to environmental change.\n <\/p>\n <sec>\n <title>IMPORTANCE<\/title>\n <p>\n Microbiomes are integral to the health of host plants, but we have a limited understanding of the factors that control how the composition of plant microbiomes changes over time. Especially little is known about the microbiome of long-lived trees, relative to annual and non-woody plants. We tested how tree microbiomes changed between seasons and years in poplar (genus\n <italic>Populus<\/italic>\n ), which are widespread and ecologically important tree species that also serve as important biofuel feedstocks. We found the composition of bacterial, archaeal, and fungal communities differed among seasons, but these seasonal differences depended on year. This dependence was driven by longer-term changes in microbial composition as host trees developed across consecutive years. Our findings suggest that temporal variation in tree microbiomes is driven by both seasonal fluctuations and longer-term (i.e., multiyear) development.\n <\/p>\n <\/sec>\n <\/sec>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Society for Microbiology","journal_name":"mSystems","format":"Medium: X","authors":["Argiroff, William A. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA] (ORCID:0000000274904980)","Carrell, Alyssa A. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA] (ORCID:0000000311424709)","Klingeman, Dawn M. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA]","Dove, Nicholas C. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA]","Muchero, Wellington [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA]","Veach, Allison M. [Department of Integrative Biology, The University of Texas, San Antonio, Texas, USA] (ORCID:0000000198453558)","Wahl, Toni [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA]","Lebreux, Steven J. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA]","Webb, Amber B. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA]","Peyton, Kellie [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA]","Schadt, Christopher W. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA, Department of Microbiology, University of Tennessee, Knoxville, Tennessee, USA] (ORCID:0000000187592448)","Cregger, Melissa A. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA] (ORCID:000000018329366X)","Bulgarelli, ed., Davide"],"article_type":"Published Article","doe_contract_number":"Plant-microbe interfaces","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2379-5077","other_identifiers":["Journal ID: ISSN 2379-5077; e00886-23"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316064"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316064"}]}, {"osti_id":"2318470","title":"Possible wobbling phenomenon in <sup>125<\/sup>Xe","doi":"10.1103/physrevc.109.034301","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. C; Journal Volume: 109; Journal Issue: 3","description":"In the present paper, negative-parity bands based on the νh<sub>11/2<\/sub> configuration in <sup>125<\/sup>Xe have been revisited. This nucleus was populated through the reaction <sup>82<\/sup>Se(<sup>48<\/sup>Ca, 5n) <sup>125<\/sup>Xe at a beam energy of 205 MeV and the corresponding γ rays were observed using the Gammasphere spectrometer. Evidence for first and second phonon wobbling excitations has been established by measurements of directional correlation ratios and angular distributions of the involved γ rays. Here, the observed wobbling energy of the bands involved were compared with the recently published results obtained within the framework of triaxial projected shell-model calculations.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. C","journal_issue":"3","journal_volume":"109","format":"Medium: ED; Size: Article No. 034301","authors":["Prajapati, Mamta [Indian Institute of Technology (BHU) Varanasi (India)] (ORCID:0009000240889564)","Nag, Somnath [Indian Institute of Technology (BHU) Varanasi (India)] (ORCID:0000000204779061)","Singh, A. K. [Indian Institute of Technology Kharagpur, West Bengal (India)]","Al-Khatib, A. [University of Damascus (Syria)]","Hübel, H. [Universität Bonn (Germany)] (ORCID:0000000165451097)","Neußer-Neffgen, A. [Universität Bonn (Germany); Wagner & Albiger Patent Attorneys, Bonn (Germany)]","Hagemann, G. B. [Niels Bohr Institute, Copenhagen (Denmark)]","Sletten, G. [Niels Bohr Institute, Copenhagen (Denmark)]","Herskind, B. [Niels Bohr Institute, Copenhagen (Denmark)]","Hansen, C. R. [University of Southern Denmark, Odense (Denmark); Odense University Hospital (Denmark)] (ORCID:0000000157166069)","Benzoni, G. [Universitet\'a di Milano and INFN, Milano (Italy)] (ORCID:0000000279380338)","Bracco, A. [Universitet\'a di Milano and INFN, Milano (Italy)]","Janssens, Robert V. F. [University of North Carolina, Chapel Hill, NC (United States); Duke University, Durham, NC (United States)] (ORCID:0000000170951715)","Carpenter, M. P. [Argonne National Laboratory (ANL), Argonne, IL (United States)]","Chowdhury, P. [University of Massachusetts Lowell, MA (United States)]"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS","Collective levels","Nuclear structure & decays","90 ≤ A ≤ 149"],"article_type":"Accepted Manuscript","doe_contract_number":"FG02-97ER41041; AC02-06CH11357; AC02-05CH11231; FG02-97ER41033; FG02-94ER40848","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[{"name":"University of North Carolina, Chapel Hill, NC (United States)"}],"research_orgs":["University of North Carolina, Chapel Hill, NC (United States)"],"journal_issn":"ISSN 2469-9985","other_identifiers":["Journal ID: ISSN 2469-9985"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318470"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318470"}]}, {"osti_id":"2317696","title":"Ovine Herpesvirus 2 Glycoprotein B Complementation Restores Infectivity to a Bovine Herpesvirus 4 gB-Null Mutant","doi":"10.3390/pathogens13030219","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Pathogens Journal Volume: 13 Journal Issue: 3","description":"<p>Ovine herpesvirus 2 (OvHV-2) and bovine herpesvirus 4 (BoHV-4) are gamma herpesviruses that belong to the genera Macavirus and Rhadinovirus, respectively. As with all herpesviruses, both OvHV-2 and BoHV-4 express glycoprotein B (gB), which plays an essential role in the infection of host cells. In that context, it has been demonstrated that a BoHV-4 gB-null mutant is unable to infect host cells. In this study, we used homologous recombination to insert OvHV-2 ORF 8, encoding gB, into the BoHV-4 gB-null mutant genome, creating a chimeric BoHV-4 virus carrying and expressing OvHV-2 gB (BoHV-4∆gB/OvHV-2-gB) that was infectious and able to replicate in vitro. We then evaluated BoHV-4∆gB/OvHV-2-gB as a potential vaccine candidate for sheep-associated malignant catarrhal fever (SA-MCF), a fatal disease of ungulates caused by OvHV-2. Using rabbits as a laboratory model for MCF, we assessed the safety, immunogenicity, and efficacy of BoHV-4∆gB/OvHV-2-gB in an immunization/challenge trial. The results showed that while BoHV-4∆gB/OvHV-2-gB was safe and induced OvHV-2 gB-specific humoral immune responses, immunization conferred only 28.5% protection upon challenge with OvHV-2. Therefore, future studies should focus on alternative strategies to express OvHV-2 proteins to develop an effective vaccine against SA-MCF.<\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"MDPI AG","journal_name":"Pathogens","journal_issue":"3","journal_volume":"13","format":"Medium: X; Size: Article No. 219","authors":["Moré, Daniela D. (ORCID:0000000237606757)","Baker, Katherine N.","Shringi, Smriti (ORCID:0000000192129175)","Bastos, Reginaldo G.","O’Toole, Donal (ORCID:0000000251748487)","Donofrio, Gaetano","Cunha, Cristina W. (ORCID:0000000281685448)"],"article_type":"Published Article","doe_contract_number":"SC0014664","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2076-0817","other_identifiers":["Journal ID: ISSN 2076-0817; PATHCD; PII: pathogens13030219"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317696"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317696"}]}, {"osti_id":"2317714","title":"Inhibited Surface Diffusion in Nanoporous Multi-Principal Element Alloy Thin Films Prepared by Vacuum Thermal Dealloying","doi":"10.3390/met14030289","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Metals Journal Volume: 14 Journal Issue: 3","description":"<p>Nanoporous structures with 3D interconnected networks are traditionally made by dealloying a binary precursor. Certain approaches for fabricating these materials have been applied to refractory multi-principal element alloys (RMPEAs), which can be suitable candidates for high-temperature applications. In this study, nanoporous refractory multi-principal element alloys (np-RMPEAs) were fabricated from magnesium-based thin films (VMoNbTaMg) that had been prepared by magnetron sputtering. Vacuum thermal dealloying (VTD), which involves sublimation of a higher vapor pressure element, is a novel technique for synthesizing nanoporous refractory elements that are prone to oxidation. When VMoNbTaMg was heated under vacuum, a nanoporous structure was created by the sublimation of the highest vapor pressure element (Mg). X-ray photoelectron spectroscopy depth profiling indicated significantly less ligament oxidation during VTD as compared to traditional dealloying methods. Furthermore, np-RMPEAs exhibited outstanding stability against coarsening, retaining smaller ligaments (~25 nm) at elevated temperature (700 °C) for a prolonged period (48 h).<\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"MDPI AG","journal_name":"Metals","journal_issue":"3","journal_volume":"14","format":"Medium: X; Size: Article No. 289","authors":["Das Gupta, Tibra (ORCID:0000000317103025)","Balk, Thomas John (ORCID:0000000218314951)"],"article_type":"Published Article","doe_contract_number":"SC0019402","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2075-4701","other_identifiers":["Journal ID: ISSN 2075-4701; MBSEC7; PII: met14030289"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317714"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317714"}]}, {"osti_id":"1961632","title":"Metrobus Survey - Washington DC - 2014","doi":"10.15483/1961632","product_type":"Dataset","language":"English","country_publication":"United States","description":"The primary purposes of the survey were to update ridership by the jurisdiction of residence for use in Metrobus’ operating subsidy allocation and to collect demographic, travel, and access data for Title VI compliance, system planning, and operation analyses. It was not a customer opinion survey; the focus was on ridership and travel characteristics.","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","authors":["Team, TSDC [National Renewable Energy Laboratory]"],"subjects":["32 Energy Conservation, Consumption, and Utilization","attitudes and preferences","transit survey","public transit","accessibility","equity","first/last mile","travel behavior"],"doe_contract_number":"72724","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office (EE-3V)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office (EE-3V)"],"orgs_research":[{"name":"Livewire Data Platform"},{"name":"NREL"},{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"},{"name":"INL"}],"research_orgs":["Livewire Data Platform","NREL","Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)","INL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/1961632"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/1961632"},{"rel":"citation_doe_dataexplorer","href":"https://www.osti.gov/dataexplorer/biblio/dataset/1961632"}]}, {"osti_id":"1961631","title":"Passenger Survey - Washington DC Metrorail - 2012","doi":"10.15483/1961631","product_type":"Dataset","language":"English","country_publication":"United States","description":"The primary purposes of the survey were to update ridership by the jurisdiction of residence for use in Metrorail’s operating subsidy allocation and to collect demographic, travel, and access data for Title VI compliance, system planning, and operation analyses. It was not a customer opinion survey; the focus was on ridership and travel characteristics.","publication_date":"2024-03-14T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","authors":["Team, TSDC [National Renewable Energy Laboratory]"],"subjects":["32 Energy Conservation, Consumption, and Utilization","attitudes and preferences","transit survey","public transit","accessibility","equity","first/last mile","travel behavior"],"doe_contract_number":"72724","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office (EE-3V)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office (EE-3V)"],"orgs_research":[{"name":"Livewire Data Platform"},{"name":"NREL"},{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"},{"name":"INL"}],"research_orgs":["Livewire Data Platform","NREL","Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)","INL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/1961631"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/1961631"},{"rel":"citation_doe_dataexplorer","href":"https://www.osti.gov/dataexplorer/biblio/dataset/1961631"}]}, {"osti_id":"2323587","title":"A simple method for floating graphene oxide films facilitates nanoscale investigations of ion and water adsorption","doi":"10.1039/D3RA07254A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: RSC Advances Journal Volume: 14 Journal Issue: 11","description":"<p>Nanoscale graphene oxide (GO) thin films at the air/water interface are excellent experimental models to understand molecular-scale interactions of ions and water with GO.<\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"RSC Advances","journal_issue":"11","journal_volume":"14","format":"Medium: X; Size: p. 7582-7591","authors":["Kumal, Raju R. [Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA] (ORCID:0000000282247677)","Carr, Amanda J. [Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA]","Uysal, Ahmet [Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA] (ORCID:0000000332785570)"],"article_type":"Published Article","doe_contract_number":"AC02-06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2046-2069","other_identifiers":["Journal ID: ISSN 2046-2069; RSCACL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323587"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323587"}]}, {"osti_id":"2317688","title":"Stress field and interaction forces between dislocations and precipitate distributions","doi":"10.1002/nme.7468","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: International Journal for Numerical Methods in Engineering","description":"<title>Abstract<\/title>\n <p>A computational method is developed for calculation of the stress field and interaction forces between dislocations and precipitates of arbitrary shape and distribution. The internal stress generated by precipitates due to coherency strain is implemented within the discrete dislocation dynamics (DDD) framework. The s‐version finite element method (s‐FEM), which models a precipitate of arbitrary shape using a local mesh is used to calculate coherency stress fields. The method facilitates meshing precipitate volumes of arbitrary geometry, and multiple local meshes can be superimposed at various positions of the global mesh. Accuracy and convergence conditions of the method are established. For a single precipiate, the method is shown to be 3.5 times faster than a standard FEM calculation for the same accuracy, and the gain in speed increases with the number of precipitates. The CRSS of spherical precipitates is found to be higher than disk‐shaped precipitates of the same volume fraction.<\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"International Journal for Numerical Methods in Engineering","format":"Medium: X","authors":["Takahashi, A. [Department of Mechanical and Aerospace Engineering, Faculty of Science and Technology Tokyo University of Science Noda‐shi Chiba Japan] (ORCID:0009000328484481)","Kasuya, T. [Department of Mechanical and Aerospace Engineering, Faculty of Science and Technology Tokyo University of Science Noda‐shi Chiba Japan]","Ghoniem, N. M. [Department of Mechanical and Aerospace Engineering University of California Los Angeles California USA]"],"article_type":"Published Article","doe_contract_number":"DE‐SC0018410","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5981","other_identifiers":["Journal ID: ISSN 0029-5981; e7468"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317688"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317688"}]}, {"osti_id":"2317671","title":"RNA oligomers at atomic resolution containing 1‐methylpseudouridine, an essential building block of mRNA vaccines","doi":"10.1002/cmdc.202300600","product_type":"Journal Article","language":"English","country_publication":"France","relation":"Journal Name: ChemMedChem","description":"<title>Abstract<\/title>\n <p>\n All widely used mRNA vaccines against COVID‐19 contain in their sequence 1‐methylpseudouridine (\n <bold>m1Ψ<\/bold>\n ) instead of uridine. In this publication, we report two high resolution crystal structures (at up to 1.01 and 1.32 Å, respectively) of one such double‐stranded 12‐mer RNA sequence crystallized in two crystal forms. The structures are compared with similar structures which do not contain this modification. Additionally, the X‐ray structure of 1‐methyl‐pseudouridine itself was determined.\n <\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"ChemMedChem","format":"Medium: X","authors":["Nievergelt, Philipp [Department of Chemistry University of Zurich 8057 Zurich Switzerland] (ORCID:0000000196020417)","Berliat, Florian [Department of Chemistry University of Zurich 8057 Zurich Switzerland]","McAuley, Katherine E. [Paul Scherrer Institute 5232 Villigen PSI Switzerland] (ORCID:000000029545072X)","Dorgan, Colin R. [Biosynth Limited Compton Berkshire RG20 6NE United Kingdom]","van Well, Renate Maria [Biosynth Limited Compton Berkshire RG20 6NE United Kingdom]","Thorn, Andrea [Institut für Nanostruktur und Festkörperphysik Universität Hamburg 22761 Hamburg Germany] (ORCID:0000000345034258)","Spingler, Bernhard [Department of Chemistry University of Zurich 8057 Zurich Switzerland] (ORCID:0000000334022016)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1860-7179","other_identifiers":["Journal ID: ISSN 1860-7179; e202300600"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317671"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317671"}]}, {"osti_id":"2305773","title":"Cubic and hexagonal boron nitride phases and phase boundaries","doi":"10.1039/D4TC00039K","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry C Journal Volume: 12 Journal Issue: 9","description":"<p>We used temperature-dependent spark plasma sintering to induce phase transformations of metastable 3D c-BN to mixed-phase 3D/2D c-BN/h-BN and ultimately to the stable 2D h-BN phase at high temperature, useful for extreme-temperature technology.<\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry C","journal_issue":"9","journal_volume":"12","format":"Medium: X; Size: p. 3053-3062","authors":["Biswas, Abhijit [Department of Materials Science and Nanoengineering, Rice University, Houston, TX, 77005, USA] (ORCID:0000000237294802)","Alvarez, Gustavo A. [Sibley School of Mechanical and Aerospace Engineering, Cornell University, Ithaca, NY 14853, USA]","Tripathi, Manoj [Department of Physics and Astronomy, University of Sussex, Brighton BN1 9RH, UK] (ORCID:000000028052428X)","Lee, Jonghoon [Air Force Research Laboratory, Materials and Manufacturing Directorate, WPAFB, OH, 45431, USA]","Pieshkov, Tymofii S. [Department of Materials Science and Nanoengineering, Rice University, Houston, TX, 77005, USA, Applied Physics Graduate Program, Smalley-Curl Institute, Rice University, Houston, TX, 77005, USA] (ORCID:0009000439951484)","Li, Chenxi [Department of Materials Science and Nanoengineering, Rice University, Houston, TX, 77005, USA]","Gao, Bin [Department of Physics and Astronomy, Rice University, Houston, TX, 77005, USA]","Puthirath, Anand B. [Department of Materials Science and Nanoengineering, Rice University, Houston, TX, 77005, USA]","Zhang, Xiang [Department of Materials Science and Nanoengineering, Rice University, Houston, TX, 77005, USA] (ORCID:0000000340045185)","Gray, Tia [Department of Materials Science and Nanoengineering, Rice University, Houston, TX, 77005, USA]","Elkins, Jacob [Department of Materials Science and Nanoengineering, Rice University, Houston, TX, 77005, USA]","Vajtai, Robert [Department of Materials Science and Nanoengineering, Rice University, Houston, TX, 77005, USA] (ORCID:0000000295888940)","Dai, Pengcheng [Department of Physics and Astronomy, Rice University, Houston, TX, 77005, USA]","Birdwell, A. Glen [DEVCOM Army Research Laboratory, RF Devices and Circuits, Adelphi, Maryland 20783, USA]","Neupane, Mahesh R. [DEVCOM Army Research Laboratory, RF Devices and Circuits, Adelphi, Maryland 20783, USA]","Ivanov, Tony [DEVCOM Army Research Laboratory, RF Devices and Circuits, Adelphi, Maryland 20783, USA]","Garratt, Elias J. [DEVCOM Army Research Laboratory, RF Devices and Circuits, Adelphi, Maryland 20783, USA]","Pate, Bradford B. [Naval Research Laboratory, Washington, DC 20375, USA]","Roy, Ajit K. [Air Force Research Laboratory, Materials and Manufacturing Directorate, WPAFB, OH, 45431, USA]","Dalton, Alan [Department of Physics and Astronomy, University of Sussex, Brighton BN1 9RH, UK] (ORCID:0000000180431377)","Tian, Zhiting [Sibley School of Mechanical and Aerospace Engineering, Cornell University, Ithaca, NY 14853, USA]","Ajayan, Pulickel M. [Department of Materials Science and Nanoengineering, Rice University, Houston, TX, 77005, USA]"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7526","other_identifiers":["Journal ID: ISSN 2050-7526; JMCCCX"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305773"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305773"}]}, {"osti_id":"2317701","title":"High-dimensional and permutation invariant anomaly detection","doi":"10.21468/SciPostPhys.16.3.062","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: SciPost Physics Journal Volume: 16 Journal Issue: 3","description":"<p>Methods for anomaly detection of new physics processes are often limited to low-dimensional spaces due to the difficulty of learning high-dimensional probability densities. Particularly at the constituent level, incorporating desirable properties such as permutation invariance and variable-length inputs becomes difficult within popular density estimation methods. In this work, we introduce a permutation-invariant density estimator for particle physics data based on diffusion models, specifically designed to handle variable-length inputs. We demonstrate the efficacy of our methodology by utilizing the learned density as a permutation-invariant anomaly detection score, effectively identifying jets with low likelihood under the background-only hypothesis. To validate our density estimation method, we investigate the ratio of learned densities and compare to those obtained by a supervised classification algorithm.<\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Stichting SciPost","journal_name":"SciPost Physics","journal_issue":"3","journal_volume":"16","format":"Medium: X","authors":["Mikuni, Vinicius","Nachman, Benjamin"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2542-4653","other_identifiers":["Journal ID: ISSN 2542-4653; 062"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317701"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317701"}]}, {"osti_id":"2287710","title":"Benchmarking nitrous oxide adsorption and activation in metal–organic frameworks bearing coordinatively unsaturated metal centers","doi":"10.1039/D3TC04492K","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry C Journal Volume: 12 Journal Issue: 9","description":"<p>\n Several MOFs are evaluated as adsorbents of anthropogenic N\n <sub>2<\/sub>\n O emissions, the third most abundant greenhouse gas, through complimentary experimental and DFT analysis. N\n <sub>2<\/sub>\n O activation in M\n <sub>2<\/sub>\n (dobdc) MOFs is also studied.\n <\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry C","journal_issue":"9","journal_volume":"12","format":"Medium: X; Size: p. 3164-3174","authors":["Pitt, Tristan A. [Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, 14850, USA]","Jia, Haojun [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA, Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA] (ORCID:0000000294352589)","Azbell, Tyler J. [Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, 14850, USA]","Zick, Mary E. [Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, 14850, USA] (ORCID:0000000238195347)","Nandy, Aditya [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA, Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA] (ORCID:0000000171375449)","Kulik, Heather J. [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA, Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA] (ORCID:0000000193420191)","Milner, Phillip J. [Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, 14850, USA] (ORCID:000000022618013X)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7526","other_identifiers":["Journal ID: ISSN 2050-7526; JMCCCX"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287710"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287710"}]}, {"osti_id":"2294123","title":"Improving the estimation of atmospheric water vapor pressure using interpretable long short-term memory networks","doi":"10.1016/j.agrformet.2024.109907","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Agricultural and Forest Meteorology Journal Volume: 347 Journal Issue: C","description":"Atmospheric water vapor pressure is an essential meteorological control on land surface and hydrologic processes. As it is not as frequently observed as other meteorologic conditions, it is often inferred through the August–Roche–Magnus formula by simply assuming dew point and daily minimum temperatures are equivalent or by empirically correlating the two temperatures using an aridity correction. The performance of both methods varies considerably across different regions and during different time periods; obtaining consistently accurate estimates across space and time remains a great challenge. Here, an interpretable Long Short-Term Memory (iLSTM) network conditioned on static, location specific attributes is proposed to estimate the daily vapor pressure. This approach allows for training a single transferable model using ensemble data from multiple sites and exploring the quantitative dependency of vapor pressure prediction on multiple environmental variables and their histories. To evaluate this approach, three iLSTM model configurations were developed, each considering different site attributes as static variables. For each configuration, multiple model realizations were trained using 83 FLUXNET sites in the United States and Canada, where each realization corresponds to different withheld groups of sites used for model evaluation. Results show that the iLSTM networks noticeably improve the estimation accuracy in comparison with the two assumption-based methods for most sites, reducing the failure rate from 32% to 10.9% for the best iLSTM model configuration. Additionally, this network provides reasonable insights into both the relative importance of the time-series input variables and their temporal importance. This method is found to be effective for imputing vapor pressure across space and time.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Elsevier","journal_name":"Agricultural and Forest Meteorology","journal_issue":"C","journal_volume":"347","format":"Medium: X; Size: Article No. 109907","authors":["Gao, B. (ORCID:000000015405423X)","Coon, E. T.","Thornton, P. E. (ORCID:0000000247595158)","Lu, D."],"subjects":["54 ENVIRONMENTAL SCIENCES","Long short-term memory","Interpretable deep learning","Static attributes","Atmospheric humidity","Atmospheric water vapor pressure"],"article_type":"Published Article","doe_contract_number":"ERCAP0025400; AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)"],"journal_issn":"ISSN 0168-1923","other_identifiers":["Journal ID: ISSN 0168-1923; S0168192324000224; 109907; PII: S0168192324000224"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294123"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294123"}]}, {"osti_id":"2320374","title":"Competing itinerant and local spin interactions in kagome metal FeGe","doi":"10.1038/s41467-023-44190-2","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nature Communications; Journal Volume: 15; Journal Issue: 1","description":"The combination of a geometrically frustrated lattice, and similar energy scales between degrees of freedom endows two-dimensional Kagome metals with a rich array of quantum phases and renders them ideal for studying strong electron correlations and band topology. The Kagome metal, FeGe is a noted example of this, exhibiting A-type collinear antiferromagnetic (AFM) order at T<sub>N<\/sub> ≈ 400 K, then establishes a charge density wave (CDW) phase coupled with AFM ordered moment below T<sub>CDW<\/sub> ≈ 110 K, and finally forms a c-axis double cone AFM structure around T<sub>Canting<\/sub> ≈ 60 K. Here we use neutron scattering to demonstrate the presence of gapless incommensurate spin excitations associated with the double cone AFM structure of FeGe at temperatures well above T<sub>Canting<\/sub> and T<sub>CDW<\/sub> that merge into gapped commensurate spin waves from the A-type AFM order. Commensurate spin waves follow the Bose factor and fit the Heisenberg Hamiltonian, while the incommensurate spin excitations, emerging below T<sub>N<\/sub> where AFM order is commensurate, start to deviate from the Bose factor around T<sub>CDW<\/sub>, and peaks at T<sub>Canting<\/sub>. This is consistent with a critical scattering of a second order magnetic phase transition with decreasing temperature. By comparing these results with density functional theory calculations, we conclude that the incommensurate magnetic structure arises from the nested Fermi surfaces of itinerant electrons and the formation of a spin density wave order.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: ED; Size: Article No. 1918","authors":["Chen, Lebing [Rice Univ., Houston, TX (United States)]","Teng, Xiaokun [Rice Univ., Houston, TX (United States)] (ORCID:000000027185085X)","Tan, Hengxin [Weizmann Institute of Science, Rehovot (Israel)] (ORCID:0000000263664731)","Winn, Barry L. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Granroth, Garrett E. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000275838778)","Ye, Feng [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000174774648)","Yu, D. H. [Australian Nuclear Science and Technology Organisation (ANSTO), Lucas Heights, NSW (Australia)] (ORCID:0000000329950336)","Mole, R. A. [Australian Nuclear Science and Technology Organisation (ANSTO), Lucas Heights, NSW (Australia)] (ORCID:0000000150184221)","Gao, Bin [Rice Univ., Houston, TX (United States)] (ORCID:0000000228532362)","Yan, Binghai [Weizmann Institute of Science, Rehovot (Israel)] (ORCID:0000000321645839)","Yi, Ming [Rice Univ., Houston, TX (United States)]","Dai, Pengcheng [Rice Univ., Houston, TX (United States)] (ORCID:0000000260883170)"],"subjects":["36 MATERIALS SCIENCE"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; SC0021421; DMR-2100741; C-1839; C-2175; 815869","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"National Science Foundation (NSF)"},{"name":"Robert A. Welch Foundation"},{"name":"European Research Council (ERC)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","National Science Foundation (NSF)","Robert A. Welch Foundation","European Research Council (ERC)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Rice Univ., Houston, TX (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Rice Univ., Houston, TX (United States)"],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320374"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2320374"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320374"}]}, {"osti_id":"2316082","title":"Solving differential‐algebraic equations in power system dynamic analysis with quantum computing","doi":"10.1049/enc2.12107","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Energy Conversion and Economics Journal Volume: 5 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Power system dynamics are generally modeled by high dimensional nonlinear differential‐algebraic equations (DAEs) given a large number of components forming the network. These DAEs\' complexity can grow exponentially due to the increasing penetration of distributed energy resources, whereas their computation time becomes sensitive due to the increasing interconnection of the power grid with other energy systems. This paper demonstrates the use of quantum computing algorithms to solve DAEs for power system dynamic analysis. We leverage a symbolic programming framework to equivalently convert the power system\'s DAEs into ordinary differential equations (ODEs) using index reduction methods and then encode their data into qubits using amplitude encoding. The system nonlinearity is captured by Hamiltonian simulation with truncated Taylor expansion so that state variables can be updated by a quantum linear equation solver. Our results show that quantum computing can solve the power system\'s DAEs accurately with a computational complexity polynomial in the logarithm of the system dimension. We also illustrate the use of recent advanced tools in scientific machine learning for implementing complex computing concepts, that is, Taylor expansion, DAEs/ODEs transformation, and quantum computing solver with abstract representation for power engineering applications.<\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Institution of Engineering and Technology (IET)","journal_name":"Energy Conversion and Economics","journal_issue":"1","journal_volume":"5","format":"Medium: X; Size: p. 40-53","authors":["Tran, Huynh T. T. [Department of Electrical &, Computer Engineering North Carolina Agricultural and Technical State University Greensboro USA]","Nguyen, Hieu T. [Department of Electrical &, Computer Engineering North Carolina Agricultural and Technical State University Greensboro USA] (ORCID:0000000165477932)","Vu, Long T. [The Energy &, Environment Directorate Pacific Northwest National Laboratories Richland USA]","Ojetola, Samuel T. [The Electric Power System Research Sandia National Laboratories Albuquerque USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2634-1581","other_identifiers":["Journal ID: ISSN 2634-1581"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316082"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316082"}]}, {"osti_id":"2281051","title":"Effect of elevated initial temperature on the detonation performance of high explosives","report_number":"LA-UR-22-20023","doi":"10.1016/j.combustflame.2023.113281","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Combustion and Flame Journal Volume: 261 Journal Issue: C","description":"For any high explosive (HE), evaluation of detonation performance requires an assessment of two components, namely detonation timing and the energy accumulated by the detonation products. When heated, the HE density can decrease significantly below the ambient pressing density, raising questions about the detonation performance of heated HEs relative to their ambient counterparts. We examine the detonation performance at an elevated initial temperature (75 C) of a 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) based insensitive HE through new and legacy rate-stick experiments, together with new cylinder test experiments. We compare the results of the heated tests, with HE densities in the range of 1.867–1.876 g/cm<sup>3<\/sup> after heating, both to tests conducted at ambient temperatures (25 C) and nominal pressing densities (1.890 ± 0.005 g/cm<sup>3<\/sup>), and to data on the detonation performance of ambient low-density pressings (1.874 g/cm<sup>3<\/sup>). We find that for large charge diameters, the axial detonation speeds for ambient charges are faster than for heated charges, but that for smaller charges, the detonation speeds for the heated charges are larger. Moreover, for smaller charges, the axial detonation speeds for the heated charges are significantly larger than those observed for ambient charges initially pressed to low density, even though the densities of the heated and low-density-pressed charges are similar. Despite the speed differences, we find that the energy contained within the detonation products is comparable in magnitude for the ambient and heated charges.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-01-15T00:00:00Z","publisher":"Elsevier","journal_name":"Combustion and Flame","journal_issue":"C","journal_volume":"261","format":"Medium: X; Size: Article No. 113281","authors":["Short, Mark (ORCID:0000000260819996)","Anderson, Eric K. (ORCID:0000000253095686)","Voelkel, Stephen J. (ORCID:0000000219088482)","Chiquete, Carlos","Jackson, Scott I. (ORCID:0000000268143468)"],"subjects":["45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEFENSE","detonation","high explosive","temperature","detonation shock dynamics","equations of state"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0010-2180","other_identifiers":["Journal ID: ISSN 0010-2180; S0010218023006557; 113281; PII: S0010218023006557"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281051"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281051"}]}, {"osti_id":"2315746","title":"Myriad Mapping of nanoscale minerals reveals calcium carbonate hemihydrate in forming nacre and coral biominerals","doi":"10.1038/s41467-024-46117-x","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Calcium carbonate (CaCO\n <sub>3<\/sub>\n ) is abundant on Earth, is a major component of marine biominerals and thus of sedimentary and metamorphic rocks and it plays a major role in the global carbon cycle by storing atmospheric CO\n <sub>2<\/sub>\n into solid biominerals. Six crystalline polymorphs of CaCO\n <sub>3<\/sub>\n are known—3 anhydrous: calcite, aragonite, vaterite, and 3 hydrated: ikaite (CaCO\n <sub>3<\/sub>\n ·6H\n <sub>2<\/sub>\n O), monohydrocalcite (CaCO\n <sub>3<\/sub>\n ·1H\n <sub>2<\/sub>\n O, MHC), and calcium carbonate hemihydrate (CaCO\n <sub>3<\/sub>\n ·½H\n <sub>2<\/sub>\n O, CCHH). CCHH was recently discovered and characterized, but exclusively as a synthetic material, not as a naturally occurring mineral. Here, analyzing 200 million spectra with Myriad Mapping (MM) of nanoscale mineral phases, we find CCHH and MHC, along with amorphous precursors, on freshly deposited coral skeleton and nacre surfaces, but not on sea urchin spines. Thus, biomineralization pathways are more complex and diverse than previously understood, opening new questions on isotopes and climate. Crystalline precursors are more accessible than amorphous ones to other spectroscopies and diffraction, in natural and bio-inspired materials.\n <\/p>","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Schmidt, Connor A.","Tambutté, Eric (ORCID:0000000214193785)","Venn, Alexander A. (ORCID:0000000305440884)","Zou, Zhaoyong (ORCID:0000000324272812)","Castillo Alvarez, Cristina (ORCID:0000000163740258)","Devriendt, Laurent S.","Bechtel, Hans A. (ORCID:0000000276069333)","Stifler, Cayla A.","Anglemyer, Samantha (ORCID:0009000326813851)","Breit, Carolyn P.","Foust, Connor L.","Hopanchuk, Andrii","Klaus, Connor N.","Kohler, Isaac J. (ORCID:000900053246105X)","LeCloux, Isabelle M.","Mezera, Jaiden (ORCID:0009000557991487)","Patton, Madeline R. (ORCID:0009000796208437)","Purisch, Annie","Quach, Virginia","Sengkhammee, Jaden S.","Sristy, Tarak (ORCID:0009000640079851)","Vattem, Shreya","Walch, Evan J.","Albéric, Marie","Politi, Yael","Fratzl, Peter","Tambutté, Sylvie (ORCID:0000000205056375)","Gilbert, Pupa U. P. A. (ORCID:0000000201392099)"],"article_type":"Published Article","doe_contract_number":"FG02-07ER15899; FWP-FP00011135; AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1812; PII: 46117"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315746"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315746"}]}, {"osti_id":"2316068","title":"Sawtooth suppression by flux pumping on HBT-EP","doi":"10.1088/1741-4326/ad2b2e","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion Journal Volume: 64 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>\n This study examines the mechanisms underlying sawtooth suppression in the High Beta Tokamak-Extended Pulse (HBT-EP) device. It is observed that strong-intensity sawtooth activities correlate with reduced-amplitude magnetohydrodynamics (MHD) edge modes which are identified as\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <mi>m<\/mi>\n <mrow>\n <mo>/<\/mo>\n <\/mrow>\n <mi>n<\/mi>\n <mo>=<\/mo>\n <mn>3<\/mn>\n <mrow>\n <mo>/<\/mo>\n <\/mrow>\n <mn>1<\/mn>\n <\/math>\n <inline-graphic href=\'nfad2b2eieqn1.gif\' type=\'simple\'/>\n <\/inline-formula>\n external kink modes, while sawtooth suppression correlates with larger and saturated edge mode amplitudes. To further investigate these correlations, the plasma–wall coupling was manipulated by adjusting the positions of the conducting walls in HBT-EP. It was found that strong sawtooth events occur when the normalized wall radius\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <mi>b<\/mi>\n <mrow>\n <mo>/<\/mo>\n <\/mrow>\n <mi>a<\/mi>\n <\/math>\n <inline-graphic href=\'nfad2b2eieqn2.gif\' type=\'simple\'/>\n <\/inline-formula>\n is within a critical value. This implies that the plasma–wall distance must be sufficiently small to ensure effective stabilization of the edge mode. Even slight differences in major radius result in significantly different discharge styles, categorized as ‘sawtoothing discharges’ and ‘sawtooth-suppressed discharges’ respectively. Through a series of mode structure analyses, we confirm the coexistence and coupling of the\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <mi>m<\/mi>\n <mrow>\n <mo>/<\/mo>\n <\/mrow>\n <mi>n<\/mi>\n <mo>=<\/mo>\n <mn>1<\/mn>\n <mrow>\n <mo>/<\/mo>\n <\/mrow>\n <mn>1<\/mn>\n <\/math>\n <inline-graphic href=\'nfad2b2eieqn3.gif\' type=\'simple\'/>\n <\/inline-formula>\n helical core,\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <mi>m<\/mi>\n <mrow>\n <mo>/<\/mo>\n <\/mrow>\n <mi>n<\/mi>\n <mo>=<\/mo>\n <mn>2<\/mn>\n <mrow>\n <mo>/<\/mo>\n <\/mrow>\n <mn>1<\/mn>\n <\/math>\n <inline-graphic href=\'nfad2b2eieqn4.gif\' type=\'simple\'/>\n <\/inline-formula>\n tearing mode, and\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <mi>m<\/mi>\n <mrow>\n <mo>/<\/mo>\n <\/mrow>\n <mi>n<\/mi>\n <mo>=<\/mo>\n <mn>3<\/mn>\n <mrow>\n <mo>/<\/mo>\n <\/mrow>\n <mn>1<\/mn>\n <\/math>\n <inline-graphic href=\'nfad2b2eieqn5.gif\' type=\'simple\'/>\n <\/inline-formula>\n external kink mode during sawtooth-suppression, and that this coupling induces anomalous current broadening. Based on these findings, we conclude that sawtooth suppression in the HBT-EP tokamak is consistent with the process of magnetic flux pumping.\n <\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","journal_issue":"4","journal_volume":"64","format":"Medium: X; Size: Article No. 046020","authors":["Li, Boting (ORCID:0009000233235781)","Levesque, J. P. (ORCID:000000031193475X)","Navratil, G. A. (ORCID:0000000229305196)","Mauel, M. E. (ORCID:0000000324907478)"],"article_type":"Published Article","doe_contract_number":"FG02-86ER53222","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316068"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316068"}]}, {"osti_id":"2316090","title":"A Comparison between Invariant and Equivariant Classical and Quantum Graph Neural Networks","doi":"10.3390/axioms13030160","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Axioms Journal Volume: 13 Journal Issue: 3","description":"<p>Machine learning algorithms are heavily relied on to understand the vast amounts of data from high-energy particle collisions at the CERN Large Hadron Collider (LHC). The data from such collision events can naturally be represented with graph structures. Therefore, deep geometric methods, such as graph neural networks (GNNs), have been leveraged for various data analysis tasks in high-energy physics. One typical task is jet tagging, where jets are viewed as point clouds with distinct features and edge connections between their constituent particles. The increasing size and complexity of the LHC particle datasets, as well as the computational models used for their analysis, have greatly motivated the development of alternative fast and efficient computational paradigms such as quantum computation. In addition, to enhance the validity and robustness of deep networks, we can leverage the fundamental symmetries present in the data through the use of invariant inputs and equivariant layers. In this paper, we provide a fair and comprehensive comparison of classical graph neural networks (GNNs) and equivariant graph neural networks (EGNNs) and their quantum counterparts: quantum graph neural networks (QGNNs) and equivariant quantum graph neural networks (EQGNN). The four architectures were benchmarked on a binary classification task to classify the parton-level particle initiating the jet. Based on their area under the curve (AUC) scores, the quantum networks were found to outperform the classical networks. However, seeing the computational advantage of quantum networks in practice may have to wait for the further development of quantum technology and its associated application programming interfaces (APIs).<\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"MDPI AG","journal_name":"Axioms","journal_issue":"3","journal_volume":"13","format":"Medium: X; Size: Article No. 160","authors":["Forestano, Roy T. (ORCID:0000000203552076)","Comajoan Cara, Marçal (ORCID:0009000126263752)","Dahale, Gopal Ramesh (ORCID:0009000581161950)","Dong, Zhongtian (ORCID:0000000210003454)","Gleyzer, Sergei (ORCID:0000000262228102)","Justice, Daniel (ORCID:0000000154502207)","Kong, Kyoungchul (ORCID:0000000345157303)","Magorsch, Tom (ORCID:0000000338900066)","Matchev, Konstantin T. (ORCID:0000000341829096)","Matcheva, Katia (ORCID:000000033074998X)","Unlu, Eyup B. (ORCID:0000000266836463)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231; SC0012447; SC0022148; SC0024407","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2075-1680","other_identifiers":["Journal ID: ISSN 2075-1680; AXIOB8; PII: axioms13030160"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316090"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316090"}]}, {"osti_id":"2315721","title":"Searching for new physics at\n <math display=\'inline\'>\n <mi>μ<\/mi>\n <mo stretchy=\'false\'>→<\/mo>\n <mi>e<\/mi>\n <\/math>\n facilities with\n <math display=\'inline\'>\n <msup>\n <mi>μ<\/mi>\n <mo>+<\/mo>\n <\/msup>\n <\/math>\n and\n <math display=\'inline\'>\n <msup>\n <mi>π<\/mi>\n <mo>+<\/mo>\n <\/msup>\n <\/math>\n decays at rest","report_number":"FERMILAB-PUB-23-287-T; CALT-TH/2023-017; arXiv:2310.00043","doi":"10.1103/PhysRevD.109.035025","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D. Journal Volume: 109 Journal Issue: 3","description":"We investigate the ability of μ → e facilities, Mu2e and COMET, to probe, or discover, new physics with their detector validation datasets. The validation of the detector response may be performed using a dedicated run with μ<sup>+<\/sup>, collecting data below the Michel edge, E<sub>e<\/sub> ≲ 52 MeV; an alternative strategy using π<sup>+<\/sup> → e<sup>+<\/sup>ν<sub>e<\/sub> may also be considered. We focus primarily on a search for a monoenergetic e<sup>+<\/sup> produced via two-body decays μ<sup>+<\/sup> → e<sup>+<\/sup>X or π<sup>+<\/sup> → e<sup>+<\/sup>X, with X a light new physics particle. Mu2e can potentially explore new parameter space beyond present astrophysical and laboratory constraints for a set of well motivated models including axionlike particles with flavor violating couplings (μ<sup>+<\/sup> → e<sup>+<\/sup>a), massive Z\' bosons (μ<sup>+<\/sup> → Z\'e<sup>+<\/sup>), and heavy neutral leptons (π<sup>+<\/sup>→e<sup>+<\/sup>N). The projected sensitivities presented herein can be achieved in a matter of days.","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. D.","journal_issue":"3","journal_volume":"109","format":"Medium: X","authors":["Hill, Richard J. (ORCID:000000031982589X)","Plestid, Ryan (ORCID:0000000307797289)","Zupan, Jure"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","particle delays","axions","heavy neutrinos","muons","pions"],"article_type":"Published Article","doe_contract_number":"SC0011784; SC1019775; AC02-07CH11359; SC0019095; SC0011632; OAC-2103889; PHY-1748958; PHY-1607611","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"},{"name":"National Science Foundation (NSF)"},{"name":"Walter Burke Institute"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)","National Science Foundation (NSF)","Walter Burke Institute"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; PRVDAQ; 035025"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315721"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315721"}]}, {"osti_id":"2293630","title":"Tracing mechanistic pathways and reaction kinetics toward equilibrium in reactive molten salts","doi":"10.1039/D3SC06587A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Chemical Science Journal Volume: 15 Journal Issue: 9","description":"<p>In the dynamic environment of multi-component reactive molten salts, speciation unfolds as a complex process, involving multiple competing reaction pathways that are likely to face free energy barriers before reaching the reaction equilibria.<\/p>","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Chemical Science","journal_issue":"9","journal_volume":"15","format":"Medium: X; Size: p. 3116-3129","authors":["Gibson, Luke D. [Computational Sciences and Engineering Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831, USA] (ORCID:0000000286961878)","Roy, Santanu [Chemical Science Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831, USA] (ORCID:0000000169918205)","Khanal, Rabi [Computational Sciences and Engineering Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831, USA]","Chahal, Rajni [Chemical Science Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831, USA]","Sedova, Ada [Bioscience Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831, USA]","Bryantsev, Vyacheslav S. [Chemical Science Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831, USA] (ORCID:0000000265016594)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-6520","other_identifiers":["Journal ID: ISSN 2041-6520; CSHCBM"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293630"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293630"}]}, {"osti_id":"2315717","title":"Novel insights into the role of translesion synthesis polymerase in DNA incorporation and bypass of 5-fluorouracil in colorectal cancer","doi":"10.1093/nar/gkae102","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nucleic Acids Research","description":"<title>Abstract<\/title>\n <p>5-Fluorouracil (5-FU) is the first-line chemotherapeutic agent in colorectal cancer, and resistance to 5-FU easily emerges. One of the mechanisms of drug action and resistance of 5-FU is through DNA incorporation. Our quantitative reverse-transcription PCR data showed that one of the translesion synthesis (TLS) DNA polymerases, DNA polymerase η (polη), was upregulated within 72 h upon 5-FU administration at 1 and 10 μM, indicating that polη is one of the first responding polymerases, and the only TLS polymerase, upon the 5-FU treatment to incorporate 5-FU into DNA. Our kinetic studies revealed that 5-fluoro-2′-deoxyuridine triphosphate (5FdUTP) was incorporated across dA 41 and 28 times more efficiently than across dG and across inosine, respectively, by polη indicating that the mutagenicity of 5-FU incorporation is higher in the presence of inosine and that DNA lesions could lead to more mutagenic incorporation of 5-FU. Our polη crystal structures complexed with DNA and 5FdUTP revealed that dA:5FdUTP base pair is like dA:dTTP in the active site of polη, while 5FdUTP adopted 4-enol tautomer in the base pairs with dG and HX increasing the insertion efficiency compared to dG:dTTP for the incorrect insertions. These studies confirm that polη engages in the DNA incorporation and bypass of 5-FU.<\/p>","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Oxford University Press","journal_name":"Nucleic Acids Research","format":"Medium: X","authors":["Averill, Jameson R.","Lin, Jackson C.","Jung, John","Jung, Hunmin (ORCID:0000000281710412)"],"article_type":"Published Article","doe_contract_number":"KP1605010; KC0401040","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0305-1048","other_identifiers":["Journal ID: ISSN 0305-1048; gkae102"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315717"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315717"}]}, {"osti_id":"2316071","title":"Engineering Terpene Production Pathways in Methylobacterium extorquens AM1","doi":"10.3390/microorganisms12030500","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Microorganisms Journal Volume: 12 Journal Issue: 3","description":"<p>Terpenes are diverse specialized metabolites naturally found within plants and have important roles in inter-species communication, adaptation and interaction with the environment. Their industrial applications span a broad range, including fragrances, flavors, cosmetics, natural colorants to agrochemicals and therapeutics, yet formal chemical synthesis is economically challenging due to structural complexities. Engineering terpene biosynthesis could represent an alternative in microbial biotechnological workhorses, such as Saccharomyces cerevisiae or Escherichi coli, utilizing sugars or complex media as feedstocks. Host species that metabolize renewable and affordable carbon sources may offer unique sustainable biotechnological alternatives. Methylotrophs are bacteria with the capacity to utilize one-carbon feedstocks, such as methanol or formate. They colonize the phyllosphere (above-ground area) of plants, and many accumulate abundant carotenoid pigments. Methylotrophs have the capacity to take up and use a subset of the rare earth elements known as lanthanides. These metals can enhance one-carbon (methylotrophic) metabolism. Here, we investigated whether manipulating the metabolism enables and enhances terpene production. A carotenoid-deficient mutant potentially liberates carbon, which may contribute to bioproduct accumulation. To test this hypothesis, terpene-producing bacterial strains regulated by two distinct promoters were generated. Wildtype Methylobacterium extorquens, ∆Meta1_3665, a methylotrophic mutant lacking the carotenoid pathway, and an E. coli strain were transformed with an exogenous terpene pathway and grown both in the presence and absence of lanthanides. The extraction, and the comparison of analytical profiles, provided evidence that engineered cultured M. extorquens under control of a native, inducible methylotrophic promoter can yield the sesquiterpene patchoulol when supplemented with lanthanide. In contrast, using a moderate-strength constitutive promoter failed to give production. We demonstrated colonization of the phyllosphere with the engineered strains, supporting the future engineering of selected species of the plant microbiome and with promising implications for the synthetic biology of small molecules.<\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"MDPI AG","journal_name":"Microorganisms","journal_issue":"3","journal_volume":"12","format":"Medium: X; Size: Article No. 500","authors":["Hurt, Allison","Bibik, Jacob D. (ORCID:0000000284705459)","Martinez-Gomez, Norma Cecilia","Hamberger, Björn (ORCID:0000000312491807)"],"article_type":"Published Article","doe_contract_number":"SC0018409","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2076-2607","other_identifiers":["Journal ID: ISSN 2076-2607; MICRKN; PII: microorganisms12030500"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316071"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316071"}]}, {"osti_id":"2315734","title":"Reduce, reuse, reinterpret: An end-to-end pipeline for recycling particle physics results","doi":"10.21468/SciPostPhysCodeb.27","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: SciPost Physics Codebases","description":"<p>Searches for new physics at the Large Hadron Collider have constrained many models of physics beyond the Standard Model. Many searches also provide resources that allow them to be reinterpreted in the context of other models. We describe a reinterpretation pipeline that examines previously untested models of new physics using supplementary information from ATLAS Supersymmetry (SUSY) searches in a way that provides accurate constraints even for models that differ meaningfully from the benchmark models of the original analysis. The public analysis information, such as public analysis routines and serialized probability models, is combined with common event generation and simulation toolkits MADGRAPH, PYTHIA8, and DELPHES into workflows steered by TOML configuration files, and bundled into the mapyde Python package. The use of mapyde is demonstrated by constraining previously untested SUSY models with compressed sleptons and electroweakinos using ATLAS results.<\/p>","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Stichting SciPost","journal_name":"SciPost Physics Codebases","format":"Medium: X","authors":["Stark, Giordon","Aristimuno Ots, Camila","Hance, Mike"],"article_type":"Published Article","doe_contract_number":"SC0010107","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2949-804X","other_identifiers":["Journal ID: ISSN 2949-804X; 27"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315734"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315734"}]}, {"osti_id":"2316063","title":"Optimizing dietary rumen-degradable starch to rumen-degradable protein ratio improves lactation performance and nitrogen utilization efficiency in mid-lactating Holstein dairy cows","doi":"10.3389/fvets.2024.1330876","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Veterinary Science Journal Volume: 11","description":"<p>\n The dietary rumen-degradable starch (RDS) to rumen-degradable protein (RDP) ratio, denoted as the RDS-to-RDP ratio (SPR), has been proven to enhance\n <italic>in vitro<\/italic>\n rumen fermentation. However, the effects of dietary SPR\n <italic>in vivo<\/italic>\n remain largely unexplored. This study was conducted to investigate the effect of dietary SPR on lactation performance, nutrient digestibility, rumen fermentation patterns, blood indicators, and nitrogen (N) partitioning in mid-lactating Holstein cows. Seventy-two Holstein dairy cows were randomly assigned to three groups (24 head/group), balanced for (mean ± standard deviation) days in milk (116 ± 21.5), parity (2.1 ± 0.8), milk production (42 ± 2.1 kg/d), and body weight (705 ± 52.5 kg). The cows were fed diets with low (2.1, control), medium (2.3), or high (2.5) SPR, formulated to be isoenergetic, isonitrogenous, and iso-starch. The study consisted of a one-week adaptation phase followed by an eight-week experimental period. The results indicated that the high SPR group had a lower dry matter intake compared to the other groups (\n <italic>p<\/italic>\n < 0.05). A quadratic increase in milk yield and feed efficiency was observed with increasing dietary SPR (\n <italic>p<\/italic>\n < 0.05), peaking in the medium SPR group. The medium SPR group exhibited a lower milk somatic cell count and a higher blood total antioxidant capacity compared to other groups (\n <italic>p<\/italic>\n < 0.05). With increasing dietary SPR, there was a quadratic improvement (\n <italic>p<\/italic>\n < 0.05) in the total tract apparent digestibility of crude protein, ether extract, starch, neutral detergent fiber, and acid detergent fiber. Although no treatment effect was observed in rumen pH, the rumen total volatile fatty acids concentration and microbial crude protein synthesis increased quadratically (\n <italic>p<\/italic>\n < 0.05) as dietary SPR increased. The molar proportion of propionate linearly increased (\n <italic>p<\/italic>\n = 0.01), while branched-chain volatile fatty acids linearly decreased (\n <italic>p<\/italic>\n = 0.01) with increasing dietary SPR. The low SPR group (control) exhibited higher concentration of milk urea N, rumen ammonia N, and blood urea N than other groups (\n <italic>p<\/italic>\n < 0.05). Despite a linear decrease (\n <italic>p<\/italic>\n < 0.05) in the proportion of urinary N to N intake, increasing dietary SPR led to a quadratic increase (\n <italic>p<\/italic>\n = 0.01) in N utilization efficiency and a quadratic decrease (\n <italic>p<\/italic>\n < 0.05) in the proportion of fecal N to N intake. In conclusion, optimizing dietary SPR has the potential to enhance lactation performance and N utilization efficiency. Based on our findings, a medium dietary SPR (with SPR = 2.3) is recommended for mid-lactating Holstein dairy cows. Nevertheless, further research on rumen microbial composition and metabolites is warranted to elucidate the underlying mechanisms of the observed effects.\n <\/p>","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Veterinary Science","journal_volume":"11","format":"Medium: X","authors":["Chen, Panliang","Li, Yan","Wang, Meimei","Shen, Yizhao","Liu, Mingchao","Xu, Hongjian","Ma, Ning","Cao, Yufeng","Li, Qiufeng","Abdelsattar, Mahmoud M.","Wang, Zhiyuan","Huo, Zihan","Ren, Shuai","Hu, Linqi","Liu, Jie","Gao, Yanxia","Li, Jianguo"],"article_type":"Published Article","doe_contract_number":"HBCT2023180207; 20326606D","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"}],"sponsor_orgs":["USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2297-1769","other_identifiers":["Journal ID: ISSN 2297-1769; 1330876"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316063"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316063"}]}, {"osti_id":"2315714","title":"Integrated analysis of X-ray diffraction patterns and pair distribution functions for machine-learned phase identification","doi":"10.1038/s41524-024-01230-9","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: npj Computational Materials Journal Volume: 10 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n To bolster the accuracy of existing methods for automated phase identification from X-ray diffraction (XRD) patterns, we introduce a machine learning approach that uses a dual representation whereby XRD patterns are augmented with simulated pair distribution functions (PDFs). A convolutional neural network is trained directly on XRD patterns calculated using physics-informed data augmentation, which accounts for experimental artifacts such as lattice strain and crystallographic texture. A second network is trained on PDFs generated\n <italic>via<\/italic>\n Fourier transform of the augmented XRD patterns. At inference, these networks classify unknown samples by aggregating their predictions in a confidence-weighted sum. We show that such an integrated approach to phase identification provides enhanced accuracy by leveraging the benefits of each model’s input representation. Whereas networks trained on XRD patterns provide a reciprocal space representation and can effectively distinguish large diffraction peaks in multi-phase samples, networks trained on PDFs provide a real space representation and perform better when peaks with low intensity become important. These findings underscore the importance of using diverse input representations for machine learning models in materials science and point to new avenues for automating multi-modal characterization.\n <\/p>","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"npj Computational Materials","journal_issue":"1","journal_volume":"10","format":"Medium: X","authors":["Szymanski, Nathan J. (ORCID:0000000322559676)","Fu, Sean (ORCID:0000000164285891)","Persson, Ellen","Ceder, Gerbrand (ORCID:0000000192753605)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2057-3960","other_identifiers":["Journal ID: ISSN 2057-3960; 45; PII: 1230"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315714"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315714"}]}, {"osti_id":"2320387","title":"Heterogeneous oxidation of hydrogen-natural gas blends in a safe, clean, and efficient burner design","doi":"10.1016/j.ijhydene.2024.02.326","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: International Journal of Hydrogen Energy; Journal Volume: 61","description":"The growth of hydrogen as an alternative clean fuel for fulfilling thermal energy needs of multiple economic sectors globally requires access to reliable, safe, energy efficient, emission free combustion technology. The work described in this short communication shows the applicability of a novel heterogeneous combustion design in utilizing a wide range of hydrogen blended methane concentrations to cleanly and safely generate thermal energy. The utilization of a simple first principles design approach along with engineered materials yielded a fuel-flexible hybrid infrared-convection burner design capable of lowering NOx emissions by more than 95% while simultaneously improving the heat transfer efficiency by 15% with a wide range of hydrogen concentrations. Here, the safety and performance of the combustion design was demonstrated in an burner at capacities of up to 12,000 Btu/h in producing temperatures of 900 °C. The atmospheric burner concept was integrated in a cooktop configuration with combined thermal power rating of 30,000 Btu/h and operated with hydrogen blended natural gas.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Elsevier","journal_name":"International Journal of Hydrogen Energy","journal_volume":"61","format":"Medium: ED; Size: p. 210-215","authors":["Cheekatamarla, Praveen [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000248827774)"],"subjects":["combustion","hydrogen","nitrogen oxide","fuel blend","flashback"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Building Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Building Technologies Office"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0360-3199","other_identifiers":["Journal ID: ISSN 0360-3199"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320387"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320387"}]}, {"osti_id":"2301784","title":"Dual feed progressive cavity pump extrusion system for functionally graded direct ink write 3D printing","report_number":"LLNL-JRNL-856195","doi":"10.1016/j.ohx.2024.e00515","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: HardwareX Journal Volume: 17 Journal Issue: C","description":"Material extrusion Additive Manufacturing (AM), is one of the most widely practiced methods of AM. Fused Filament Fabrication (FFF) is what most associate with AM, as it is relatively inexpensive, and highly accessible, involving feeding plastic filament into a hot-end that melts and extrudes from a nozzle as the toolhead moves along the toolpath. Direct Ink Write (DIW) 3D printing falls into this same category of AM, however is primarily practiced in laboratory settings to construct novel parts from flowable feedstock materials. DIW printers are relatively expensive and often depend on custom software to print a part, limiting user-specificity. There have been recent advancements in multi-material and functionally graded DIW, but the systems are highly custom and the methods used to achieve multi-material prints are openly available to the public. The following article outlines the construction and operation method of a DIW system that is capable of printing that can produce compositionally-graded components using a dual feed progressive cavity pump extruder equipped with a dynamic mixer. The extruder and its capabilities to vary material composition while printing are demonstrated using a Prusa i3 MK3S+ desktop fused filament fabrication printer as the gantry system. This provides users ease of operation, and the capability of further tailoring to specific needs.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Elsevier","journal_name":"HardwareX","journal_issue":"C","journal_volume":"17","format":"Medium: X; Size: Article No. e00515","authors":["Sevcik, Max J. (ORCID:0000000190979387)","Golson, Jacob","Bjerke, Gabriel","Snyder, Isaac","Taylor, Gage","Wilson, Finnegan","Rabinowitz, Grace I.","Kline, Dylan J.","Grapes, Michael D.","Sullivan, Kyle T.","Belof, Jonathan L.","Eliasson, Veronica (ORCID:0000000151341399)"],"subjects":["36 MATERIALS SCIENCE","42 ENGINEERING","Additive Manufacturing","Direct Ink Write","Dual Feed Extrusion","Progressive Cavity Pump","Functionally Graded","G-code Processing, Arduino"],"article_type":"Published Article","doe_contract_number":"21-SI-006; AC52-07NA27344; LLNL-JRNL-856195","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 2468-0672","other_identifiers":["Journal ID: ISSN 2468-0672; S2468067224000099; e00515; PII: S2468067224000099"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301784"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301784"}]}, {"osti_id":"2315727","title":"Investigating the impacts of solid phase extraction on dissolved organic matter optical signatures and the pairing with high‐resolution mass spectrometry data across a freshwater stream network","doi":"10.1002/lom3.10603","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Limnology and Oceanography Methods","description":"<title>Abstract<\/title>\n <p>Advancing our understanding of dissolved organic matter (DOM) chemistry in aquatic systems necessitates the integration of data streams from multiple analytical platforms. Some measurements require pretreatment with solid phase extraction (SPE), while others are performed directly on whole water samples. Evidence has suggested that SPE will be biased against select DOM fractions, leading to concerns over the ability to establish data linkages across platforms with variable needs for SPE pretreatment, such as those from optical measurements and those that provide high‐resolution molecular information. Here, we directly addressed this concern by assessing the impact of SPE on DOM optical properties through excitation–emission matrices with parallel factor analysis (PARAFAC) for 47 samples across a stream network within a single watershed reflective of variable DOM sources. PARAFAC data was further paired with molecular information obtained by Fourier transform ion cyclotron resonance mass spectrometry (FTICR‐MS). A comparison of PARAFAC models first revealed no systematic qualitative differences in major components between whole water DOM and DOM isolated by SPE (SPE‐DOM); however, quantitative biases against select components were observed. Further linkages with FTICR‐MS data revealed that the molecular fingerprint associated with each PARAFAC component was consistent between the whole water DOM and SPE‐DOM. Our results suggest that bulk scale linkages across these analytical platforms could be inferred irrespective of the observed quantitative biases resulting from SPE for samples within this example watershed. This work represents a key step toward the systematic evaluation of linkages between optical and high‐resolution mass spectrometry datasets in freshwater lotic environments.<\/p>","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Limnology and Oceanography Methods","format":"Medium: X","authors":["Roebuck Jr, J. Alan [Biological Sciences Division Pacific Northwest National Laboratory Richland Washington USA] (ORCID:0000000285752572)","Myers‐Pigg, Allison N. [Biological Sciences Division Pacific Northwest National Laboratory Richland Washington USA, Department of Environmental Sciences University of Toledo Toledo Ohio USA]","Garayburu‐Caruso, Vanessa [Biological Sciences Division Pacific Northwest National Laboratory Richland Washington USA]","Stegen, James [Biological Sciences Division Pacific Northwest National Laboratory Richland Washington USA]"],"article_type":"Published Article","doe_contract_number":"54737","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1541-5856","other_identifiers":["Journal ID: ISSN 1541-5856; lom3.10603"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315727"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315727"}]}, {"osti_id":"2320354","title":"Optimal local truncation error method for 3-D elasticity interface problems","report_number":"SAND-2024-02758J; SAND-2024-02665J","doi":"10.1016/j.ijmecsci.2024.109139","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: International Journal of Mechanical Sciences; Journal Volume: 271; Journal Issue: 1","description":"The paper deals with a new effective numerical technique on unfitted Cartesian meshes for simulations of heterogeneous elastic materials. Here, we develop the optimal local truncation error method (OLTEM) with 27- point stencils (similar to those for linear finite elements) for the 3-D time-independent elasticity equations with irregular interfaces. Only displacement unknowns at each internal Cartesian grid point are used. The interface conditions are added to the expression for the local truncation error and do not change the width of the stencils. The unknown stencil coefficients are calculated by the minimization of the local truncation error of the stencil equations and yield the optimal second order of accuracy for OLTEM with the 27-point stencils on unfitted Cartesian meshes. A new post-processing procedure for accurate stress calculations has been developed. Similar to basic computations it uses OLTEM with the 27-point stencils and the elasticity equations. The post-processing procedure can be easily extended to unstructured meshes and can be independently used with existing numerical techniques (e.g., with finite elements). Numerical experiments show that at an accuracy of 0.1% for stresses, OLTEM with the new post-processing procedure significantly (by 10<sup>5<\/sup>-10<sup>9<\/sup> times) reduces the number of degrees of freedom compared to linear finite elements. OLTEM with the 27-point stencils yields even more accurate results than high-order finite elements with wider stencils.","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Elsevier","journal_name":"International Journal of Mechanical Sciences","journal_issue":"1","journal_volume":"271","format":"Medium: ED; Size: Article No. 109139","authors":["Idesman, Alexander [Texas Tech Univ., Lubbock, TX (United States)]","Mobin, M. [Texas Tech Univ., Lubbock, TX (United States)] (ORCID:0000000198789668)","Bishop, J. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000268595253)"],"subjects":["42 ENGINEERING","Elasticity equations","heterogeneous materials","local truncation error","unfitted Cartesian meshes","optimal accuracy","post-processing"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525; 2416989; CMMI-1935452","orgs_sponsor":[{"name":"National Science Foundation (NSF)"},{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)"}],"sponsor_orgs":["National Science Foundation (NSF)","USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0020-7403","other_identifiers":["Journal ID: ISSN 0020-7403"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320354"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320354"}]}, {"osti_id":"2222992","title":"Nuclear material accountancy using momentum-informed muon scattering tomography","doi":"10.1016/j.anucene.2023.110240","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Annals of Nuclear Energy Journal Volume: 197 Journal Issue: C","description":"Screening cargo and vehicles to prevent proliferation of unauthorized nuclear and radioactive materials is essential to prevent threats to domestic and international security. Cosmic ray muons attracted attention as a potential next-generation radiographic technique to discover illicit transportation of nuclear and radioactive materials at borders or secure facilities. Unique features of cosmic muons—a high energy and deep penetration depth—enable them to be utilized for radiation probes, especially for large and dense materials. In muon scattering tomography, physical characteristics of target materials are estimated by measuring both incoming and outgoing muon trajectories using muon detectors. To reconstruct 3D tomographic images of target objects, a Point of Closest Approach (PoCA) algorithm is typically used to locate a scattering position, and the scattering angle values are used to map material density. However, high-resolution material mapping is often limited due to the absence of muon momentum information because the expected muon scattering angle depends on two variables: material atomic number and muon momentum. Despite the importance of measuring muon momentum, it is still challenging without deploying large and expensive muon spectrometers. Therefore, a mean muon momentum, 3 to 4 GeV/c, is often used to represent the entire cosmic ray muon spectrum. In this paper, we present a new momentum-informed muon scattering tomography (MST) approach for nuclear material accountancy based on a recently devised fieldable muon spectrometer. This approach uses a new imaging algorithm that improves the current PoCA algorithm by encoding momentum into the scattering angle. In our new algorithm, all muon measurements have a categorized momentum level with a scattering angle. We demonstrate the functionality and performance of momentum-informed MST using computational simulations. The results show that the image resolution is significantly improved, and this approach allows for visually differentiating nuclear materials from non-nuclear materials.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2023-12-01T00:00:00Z","publisher":"Elsevier","journal_name":"Annals of Nuclear Energy","journal_issue":"C","journal_volume":"197","format":"Medium: X; Size: Article No. 110240","authors":["Bae, JungHyun","Montgomery, Rose","Chatzidakis, Stylianos"],"subjects":["98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL PROTECTION","cosmic ray muons","nuclear material accountancy","muon tomography","nuclear security","point-of-closest approach"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0306-4549","other_identifiers":["Journal ID: ISSN 0306-4549; S0306454923005595; 110240; PII: S0306454923005595"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2222992"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2222992"}]}, {"osti_id":"2322506","title":"Longitudinal analysis of host protein serum signatures of treatment and recovery in pulmonary tuberculosis","report_number":"PNNL-SA-184858","doi":"10.1371/journal.pone.0294603","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: PLoS ONE; Journal Volume: 19; Journal Issue: 2","description":"A better understanding of treatment progression and recovery in pulmonary tuberculosis (TB) infectious disease is crucial. This study analyzed longitudinal serum samples from pulmonary TB patients undergoing interventional treatment to identify surrogate markers for TB-related outcomes. Serum that was collected at baseline and 8, 17, 26, and 52 weeks from 30 TB patients experiencing durable cure were evaluated and compared using a sensitive LC-MS/MS proteomic platform for the detection and quantification of differential host protein signatures relative to timepoint. The global proteome signature was analyzed for statistical differences across the time course and between disease severity and treatment groups. A total of 676 proteins showed differential expression in the serum over these timepoints relative to baseline. Comparisons to understand serum protein dynamics at 8 weeks, treatment endpoints at 17 and 26 weeks, and post-treatment at 52 weeks were performed. The largest protein abundance changes were observed at 8 weeks as the initial effects of antibiotic treatment strongly impacted inflammatory and immune modulated responses. However, the largest number of proteome changes was observed at the end of treatment time points 17 and 26 weeks respectively. Post-treatment 52-week results showed an abatement of differential proteome signatures from end of treatment, though interestingly those proteins uniquely significant at post-treatment were almost exclusively downregulated. Patients were additionally stratified based upon disease severity and compared across all timepoints, identifying 461 discriminating proteome signatures. These proteome signatures collapsed into discrete expression profiles with distinct pathways across immune activation and signaling, hemostasis, and metabolism annotations. Insulin-like growth factor (IGF) and Integrin signaling maintained a severity signature through 52 weeks, implying an intrinsic disease severity signature well into the post-treatment timeframe. Previous proteome studies have primarily focused on the 8-week timepoint in relation to culture conversion status. While this study confirms previous observations, it also highlights some differences. The inclusion of additional end of treatment and post-treatment time points offers a more comprehensive assessment of treatment progression within the serum proteome. Examining the expression dynamics at these later time periods will help in the investigation of relapse patients and has provided indicative markers of response and recovery.","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Public Library of Science","journal_name":"PLoS ONE","journal_issue":"2","journal_volume":"19","format":"Medium: ED; Size: Article No. e0294603","authors":["Powell, Samantha M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000326700024)","Jarsberg, Leah G. [University of California, San Francisco, CA (United States)] (ORCID:0000000165486337)","Zionce, Erin M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Anderson, Lindsey N. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000287417823)","Gritsenko, Marina A. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000199929829)","Nahid, Payam [University of California, San Francisco, CA (United States)]","Jacobs, Jon M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)] (ORCID:0000000305577338)"],"subjects":["tuberculosis","proteomes","serum proteins","extracellular matrix proteins","protein folding","hemostasis","protein abundance","protein expression"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; 1R01AI104589; 1R01AI127300","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"National Institutes of Health (NIH)"}],"sponsor_orgs":["USDOE Office of Science (SC)","National Institutes of Health (NIH)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 1932-6203","other_identifiers":["Journal ID: ISSN 1932-6203"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322506"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2322506"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322506"}]}, {"osti_id":"2316117","title":"Magnetron sputter deposition of boron carbide in Ne and Ar plasmas","report_number":"LLNL-JRNL-840448","doi":"10.1063/5.0193653","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Applied Physics; Journal Volume: 135; Journal Issue: 8","description":"Conventional magnetron sputter deposition of B<sub>4<\/sub>C uses Ar as the working gas. In this report we explore the magnetron sputter deposition of B<sub>4<\/sub>C with a Ne plasma, which is expected to exhibit larger sputtering yields than Ar. We study properties of films deposited with different substrate tilt angles with the magnetron source operated in either direct-current (DC) or radio-frequency (RF) mode in an Ar or Ne plasma. Results show that the B<sub>4<\/sub>C film properties are determined by a combination of sputtering ballistics and effects of the working gas on the plasma discharge and gas phase scattering of depositing species flux. At constant discharge power, deposition rates for Ar and Ne plasmas are similar, which is attributed to balancing effects of a higher ballistic sputtering yield of Ne and lower ion flux to the target. Both depositing B and C neutral species and bombarding ions have higher energies for the case of Ne plasmas. Films deposited with the RF-driven Ne plasma exhibit a uniform non-columnar structure, lowest oxygen impurity content, and highest mass density and mechanical properties at a cost of Ne incorporation and larger compressive residual stress.","availability":"External Audience (Unlimited)","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Journal of Applied Physics","journal_issue":"8","journal_volume":"135","format":"Medium: ED; Size: Article No. 085303","authors":["Shin, S. J. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000183301260)","Bayu Aji, L. B. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000315573023)","Bae, J. H. [General Atomics, San Diego, CA (United States)] (ORCID:000000018502106X)","Engwall, A. M. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000156089217)","Hammons, J. A. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000301071954)","Taylor, G. V. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Sohngen, L. R. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0009000066026084)","Mirkarimi, P. B. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000317960916)","Kucheyev, S. O. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]"],"subjects":["71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS","36 MATERIALS SCIENCE","microstructural properties","magnetron sputtering","sputter deposition","thin films","plasma discharges","plasma diagnostics"],"article_type":"Accepted Manuscript","doe_contract_number":"AC52-07NA27344; 89233119CNA000063","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"General Atomics"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","General Atomics","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 0021-8979","other_identifiers":["Journal ID: ISSN 0021-8979; 1061643"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316117"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316117"}]}, {"osti_id":"2315052","title":"Combining lattice QCD and phenomenological inputs on generalised parton distributions at moderate skewness","doi":"10.1140/epjc/s10052-024-12513-2","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: European Physical Journal. C, Particles and Fields (Online) Journal Volume: 84 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n We present a systematic study demonstrating the impact of lattice QCD data on the extraction of generalised parton distributions (GPDs). For this purpose, we use a previously developed modelling of GPDs based on machine learning techniques fulfilling the theoretical requirements of polynomiality, a form of positivity constraint and known reduction limits. A special care is given to estimate the uncertainty stemming from the ill-posed character of the connection between GPDs and the experimental processes usually considered to constrain them, like deeply virtual Compton scattering (DVCS). Moke lattice QCD data inputs are included in a Bayesian framework to a prior model based on an Artificial Neural Network. This prior model is fitted to reproduce the most experimentally accessible information of a phenomenological extraction by Goloskokov and Kroll. We highlight the impact of the precision, correlation and kinematic coverage of lattice data on GPD extraction at moderate\n <inline-formula>\n <alternatives>\n <tex-math>$$\\xi $$<\/tex-math>\n <math>\n <mi>ξ<\/mi>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n which has only been brushed in the literature so far, paving the way for a joint extraction of GPDs.\n <\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"European Physical Journal. C, Particles and Fields (Online)","journal_issue":"2","journal_volume":"84","format":"Medium: X","authors":["Riberdy, Michael Joseph (ORCID:0000000161055986)","Dutrieux, Hervé (ORCID:0000000183344885)","Mezrag, Cédric (ORCID:0000000186784085)","Sznajder, Paweł (ORCID:000000022684803X)"],"article_type":"Published Article","doe_contract_number":"#DE-FG02-04ER41302","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1434-6052","other_identifiers":["Journal ID: ISSN 1434-6052; 201; PII: 12513"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315052"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315052"}]}, {"osti_id":"2317686","title":"Sulfur Solutions: Advancing High Voltage and High Energy Lithium Batteries with Organosulfur Electrolytes","doi":"10.1002/aenm.202303794","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Energy Materials","description":"<title>Abstract<\/title>\n <p>\n Achieving energy densities exceeding 350 Wh kg\n <sup>−1<\/sup>\n while operating at elevated voltages (>4.5 V vs Li/Li\n <sup>+<\/sup>\n ) is attainable through judicious selection of electrochemical pairs at the cathode and anode. However, current state‐of‐the‐art electrolytes exhibit limited stability when exposed to systems operating at or above 4.3 V. This limitation contributes to the degradation of electrode materials and raises critical safety concerns, impeding the commercialization of such systems. Consequently, there has been a notable surge in research efforts aimed at developing innovative electrolyte compositions capable of supporting high‐voltage lithium‐ion batteries (LIBs). A substantial portion of this research has focused on the family of organosulfur molecules, which possess high oxidative stability. Organosulfur salts also facilitate the formation of dense, ionically conductive solid electrolyte interfaces (SEI) and demonstrate excellent solubility. This article provides a comprehensive overview of the field of organosulfur electrolyte components for their applications in energy storage, encompassing solvents, alternative conducting salts, and additives. It emphasizes the idea that the deliberate design of electrolyte compositions is instrumental in controlling electrode passivation, with organosulfur‐based structures historically proving advantageous in every aspect of the electrolyte. Crucially, it should be noted that many of these components are commercially available, holding significant implications for industrial applications.\n <\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Energy Materials","format":"Medium: X","authors":["Dato, Michael A. [Chemical Sciences and Engineering Division Argonne National Laboratory Lemont IL 60439 USA]","Edgington, Jane [Department of Chemical and Biological Engineering Northwestern University Evanston IL 60208 USA, General Motors Global Research and Development Center Warren MI 48090 USA]","Hung, Chengi [Department of Chemical and Environmental Engineering University of California‐Riverside Riverside CA 92521 USA]","Sinha, Rochit [Department of Chemical and Biological Engineering Northwestern University Evanston IL 60208 USA]","Liu, Ziqi [Department of Chemistry Northwestern University Evanston IL 60208 United States]","Lopez, Jeffrey [Department of Chemical and Biological Engineering Northwestern University Evanston IL 60208 USA]","Guo, Juchen [Department of Chemical and Environmental Engineering University of California‐Riverside Riverside CA 92521 USA]","He, Meinan [General Motors Global Research and Development Center Warren MI 48090 USA]","Su, Chi‐Cheung [Chemical Sciences and Engineering Division Argonne National Laboratory Lemont IL 60439 USA] (ORCID:0000000156753173)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1614-6832","other_identifiers":["Journal ID: ISSN 1614-6832; 2303794"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317686"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317686"}]}, {"osti_id":"2317799","title":"In-plane anisotropic magnetoresistance in detwinned BaFe<sub>2-x<\/sub>Ni<sub>x<\/sub>As<sub>2<\/sub> (x = 0, 0.6)","doi":"10.1103/physrevb.109.054435","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 5","description":"Understanding the magnetoresistance (MR) of a magnetic material forms the basis for uncovering the orbital mechanisms and charge-spin interactions in the system. Although the parent state of iron-based high-temperature superconductors, including BaFe<sub>2<\/sub>As<sub>2<\/sub>, exhibits unusual electron transport properties resulting from spin and charge correlations, there is still valuable insight to be gained by understanding the in-plane MR effect due to twin domains in the orthorhombic antiferromagnetic ordered state. Here, we study the in-plane magnetoresistance anisotropy in detwinned BaFe<sub>2<\/sub>As<sub>2<\/sub> and compare the results to the nonmagnetic Ni-doped sample. We find that in the antiferromagnetically ordered state, BaFe<sub>2<\/sub>As<sub>2<\/sub> exhibits anisotropic MR that becomes large at low temperatures and high fields. Both transverse and longitudinal MRs are highly anisotropic and dependent on the field and current orientations. Furthermore, these results cannot be fully explained by calculations considering only the anisotropic Fermi surface. Instead, the spin orientation of the ordered moment also affects the MR effect, suggesting the presence of a large charge-spin interaction in BaFe<sub>2<\/sub>As<sub>2<\/sub> that is not present in the Ni-doped material.","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"5","journal_volume":"109","format":"Medium: ED; Size: Article No. 054435","authors":["Neubauer, Kelly J. [Rice University, Houston, TX (United States)] (ORCID:0000000248521230)","Klemm, Mason L. [Rice University, Houston, TX (United States)]","Mozaffari, Shirin [Florida State University, Tallahassee, FL (United States)] (ORCID:0000000344389348)","Jiao, Lin [Florida State University, Tallahassee, FL (United States)] (ORCID:0000000283430190)","Koshelev, Alexei E. [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000211675906)","Yaresko, Alexander [Max Planck Institute for Solid State Research, Stuttgart (Germany)]","Yi, Ming [Rice University, Houston, TX (United States)]","Balicas, Luis [Florida State University, Tallahassee, FL (United States)]","Dai, Pengcheng [Rice University, Houston, TX (United States)] (ORCID:0000000260883170)"],"subjects":["36 MATERIALS SCIENCE","Anisotropic magnetoresistance","Magnetic anisotropy","Magnetoresistance","Iron-based superconductors","Density functional calculations","Resistivity measurements"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0002613; C-1839; DMR-1644779","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"Robert A. Welch Foundation"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","Robert A. Welch Foundation","National Science Foundation (NSF)"],"orgs_research":[{"name":"Florida State Univ., Tallahassee, FL (United States)"}],"research_orgs":["Florida State Univ., Tallahassee, FL (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317799"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317799"}]}, {"osti_id":"2315057","title":"Transversity Distributions and Tensor Charges of the Nucleon: Extraction from Dihadron Production and Their Universal Nature","report_number":"JLAB-THY-23-3859; arXiv:2306.12998; DOE/OR/23177-6444","doi":"10.1103/PhysRevLett.132.091901","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters Journal Volume: 132 Journal Issue: 9","description":"We perform the first global quantum chromodynamics (QCD) analysis of dihadron production data in electron-positron annihilation, semi-inclusive deep-inelastic scattering, and proton-proton collisions, from which we extract simultaneously the transversity distributions of the nucleon and $\\pi^+\\pi^-$ dihadron fragmentation functions. We incorporate in our fits known theoretical constraints on transversity, namely, its small-$x$ asymptotic behavior and the Soffer bound. We furthermore show that lattice-QCD results for the tensor charges can be successfully included in the analysis. This resolves the previously reported incompatibility between the tensor charges extracted from dihadron production data and lattice QCD. We also find agreement with results for the transversity and tensor charges obtained from measurements on single-hadron production. Overall, our work demonstrates for the first time the universal nature of all available information for the transversity distributions and the tensor charges of the nucleon.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review Letters","journal_issue":"9","journal_volume":"132","format":"Medium: X","authors":["Cocuzza, C. (ORCID:0000000349229247)","Metz, A.","Pitonyak, D.","Prokudin, A.","Sato, N.","Seidl, R.","Jefferson Lab Angular Momentum (JAM) Collaboration"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS"],"article_type":"Published Article","contributing_org":"Jefferson Lab Angular Momentum (JAM) Collaboration","doe_contract_number":"AC05-06OR23177; PHY-2110472; PHY-2011763; PHY-2308567; PHY-2012002; PHY-2310031; PHY-2335114","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"}],"research_orgs":["Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"],"journal_issn":"ISSN 0031-9007","other_identifiers":["Journal ID: ISSN 0031-9007; PRLTAO; 091901"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315057"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315057"}]}, {"osti_id":"2284014","title":"Increasing the stability of calixarene-capped porous cages through coordination sphere tuning","doi":"10.1039/D3DT03365A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Dalton Transactions Journal Volume: 53 Journal Issue: 9","description":"<p>Chemically and thermally stable permanently porous coordination cages are appealing candidates for separations, catalysis, and as the porous component of new porous liquids.<\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Dalton Transactions","journal_issue":"9","journal_volume":"53","format":"Medium: X; Size: p. 4005-4009","authors":["Dey, Avishek [Department of Chemistry & Biochemistry, University of Delaware, Newark, Delaware 19716, USA] (ORCID:0000000290751187)","Dworzak, Michael R. [Department of Chemistry & Biochemistry, University of Delaware, Newark, Delaware 19716, USA]","Korathotage, Kaushalya D. P. [Department of Chemistry, Indiana University, Bloomington, Indiana 47405, USA]","Ghosh, Munmun [Department of Chemistry & Biochemistry, University of Delaware, Newark, Delaware 19716, USA]","Hoq, Jahidul [Department of Chemistry, Indiana University, Bloomington, Indiana 47405, USA]","Montone, Christine M. [Department of Chemistry, Indiana University, Bloomington, Indiana 47405, USA]","Yap, Glenn P. A. [Department of Chemistry, Indiana University, Bloomington, Indiana 47405, USA] (ORCID:000000030385387X)","Bloch, Eric D. [Department of Chemistry & Biochemistry, University of Delaware, Newark, Delaware 19716, USA, Department of Chemistry, Indiana University, Bloomington, Indiana 47405, USA] (ORCID:0000000345076247)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1477-9226","other_identifiers":["Journal ID: ISSN 1477-9226; ICHBD9"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284014"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284014"}]}, {"osti_id":"2320318","title":"Structural maturation of myofilaments in engineered 3D cardiac microtissues characterized using small angle X-ray scattering","doi":"10.1088/1478-3975/ad310e","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Physical Biology","description":"<title>Abstract<\/title>\n <p>Understanding the structural and functional development of human-induced pluripotent stem-cell-derived cardiomyocytes is essential to engineering cardiac tissue that enables pharmaceutical testing, modeling diseases, and designing therapies. Here we use a method not commonly applied to biological materials, small angle X-ray scattering, to characterize the structural development of human-induced pluripotent stem-cell-derived cardiomyocytes within 3D engineered tissues during their preliminary stages of maturation. An X-ray scattering experimental method enables the reliable characterization of the cardiomyocyte myofilament spacing with maturation time. The myofilament lattice spacing monotonically decreases as the tissue matures from its initial post-seeding state over the span of ten days. Visualization of the spacing at a grid of positions in the tissue provides an approach to characterizing the maturation and organization of cardiomyocyte myofilaments and has the potential to help elucidate mechanisms of pathophysiology, and disease progression, thereby stimulating new biological hypotheses in stem cell engineering. <\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"IOP Publishing","journal_name":"Physical Biology","format":"Medium: X","authors":["van Dover, Geoffrey (ORCID:000000019746663X)","Javor, Josh","Ewoldt, Jourdan K.","Zhernenkov, Mikhail","Wąsik, Patryk (ORCID:0000000274477472)","Freychet, Guillaume","Lee, Josh","Brown, Dana","Chen, Christopher S.","Bishop, David J."],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1478-3967","other_identifiers":["Journal ID: ISSN 1478-3967"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320318"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320318"}]}, {"osti_id":"2320284","title":"Crossover Flux and Ionic Resistance Metrics in Polysulfide-Permanganate Redox Flow Battery Membranes","doi":"10.1149/1945-7111/ad318d","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society","description":"<title>Abstract<\/title>\n <p>A survey of 23 commercially-available cation exchange membranes was performed for the downselection of membranes for use in a polysulfide-permanganate redox flow battery (pS-Mn RFB). The survey measured the flux of permanganate ions across a 0.1 M concentration gradient as well as the membrane resistance in a 0.5 M sodium chloride solution. The membranes exhibited the characteristic flux/resistance trade-off observed in most classes of membranes. To connect the individual membrane testing to how the membranes will perform in a device, cell performance data in a pS-Mn RFB was collected for three membranes from the survey. The coulombic, voltaic, and energy efficiency at low cycle counts aligned with the predictions from the membrane flux and resistance survey results. The study also identified three membranes—Fumapem F-930-RFS, Fumapem FS-715-RFS, and Aquivion E98-09S—that outperformed most other membranes regarding their position on the flux-resistance trade-off curve, indicating them to be good candidates for further testing.<\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"Journal of the Electrochemical Society","format":"Medium: X","authors":["Cassady, Harrison Jasper (ORCID:0000000264531762)","Yang, Zhiwei","Rochow, Maria (ORCID:0000000234867038)","Saraidaridis, James","Hickner, Michael (ORCID:0000000222527626)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320284"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320284"}]}, {"osti_id":"2315050","title":"Nanopatterned Monolayers of Bioinspired, Sequence-Defined Polypeptoid Brushes for Semiconductor/Bio Interfaces","doi":"10.1021/acsnano.3c10204","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Nano Journal Volume: 18 Journal Issue: 10","description":"The ability to control and manipulate semiconductor/bio interfaces is essential to enable biological nanofabrication pathways and bioelectronic devices. Traditional surface functionalization methods, such as self-assembled monolayers (SAMs), provide limited customization for these interfaces. Polymer brushes offer a wider range of chemistries, but choices that maintain compatibility with both lithographic patterning and biological systems are scarce. Here, we developed a class of bioinspired, sequence-defined polymers, i.e., polypeptoids, as tailored polymer brushes for surface modification of semiconductor substrates. Polypeptoids featuring a terminal hydroxyl (–OH) group are designed and synthesized for efficient melt grafting onto the native oxide layer of Si substrates, forming ultrathin (~1 nm) monolayers. By programming monomer chemistry, our polypeptoid brush platform offers versatile surface modification, including adjustments to surface energy, passivation, preferential biomolecule attachment, and specific biomolecule binding. Importantly, the polypeptoid brush monolayers remain compatible with electron-beam lithographic patterning and retain their chemical characteristics even under harsh lithographic conditions. Electron-beam lithography is used over polypeptoid brushes to generate highly precise, binary nanoscale patterns with localized functionality for the selective immobilization (or passivation) of biomacromolecules, such as DNA origami or streptavidin, onto addressable arrays. This surface modification strategy with bioinspired, sequence-defined polypeptoid brushes enables monomer-level control over surface properties with a large parameter space of monomer chemistry and sequence and therefore is a highly versatile platform to precisely engineer semiconductor/bio interfaces for bioelectronics applications.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Nano","journal_issue":"10","journal_volume":"18","format":"Medium: X; Size: p. 7411-7423","authors":["Yu, Beihang [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000150600766)","Chang, Boyce S. [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000186833369)","Loo, Whitney S. [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Prizker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States] (ORCID:0000000297733571)","Dhuey, Scott [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000291852510)","O’Reilly, Padraic [Molecular Vista Inc., San Jose, California 95119, United States]","Ashby, Paul D. [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:000000034195310X)","Connolly, Michael D. [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States]","Tikhomirov, Grigory [Department of Electrical Engineering and Computer Sciences, University of California, Berkeley, Berkeley, California 94709, United States] (ORCID:0000000160613843)","Zuckermann, Ronald N. [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000230558860)","Ruiz, Ricardo [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000216984281)"],"subjects":["nanopatterned polymer brushes","sequence-defined polymers","semiconductor/bio interfaces","surface modification","selective immobilization of biomolecules"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 1936-0851","other_identifiers":["Journal ID: ISSN 1936-0851"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315050"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315050"}]}, {"osti_id":"2315072","title":"Mitigating drought mortality by incorporating topography into variable forest thinning strategies","doi":"10.1088/1748-9326/ad29aa","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Environmental Research Letters Journal Volume: 19 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Drought-induced productivity reductions and tree mortality have been increasing in recent decades in forests around the globe. Developing adaptation strategies hinges on an adequate understanding of the mechanisms governing the drought vulnerability of forest stands. Prescribed reduction in stand density has been used as a management tool to reduce water stress and wildfire risk, but the processes that modulate fine-scale variations in plant water supply and water demand are largely missing in ecosystem models. We used an ecohydrological model that couples plant hydraulics with groundwater hydrology to examine how within-stand variations in tree spatial arrangements and topography might mitigate forest vulnerability to drought at individual-tree and stand scales. Our results demonstrated thinning generally ameliorated plant hydraulic stress and improved carbon and water fluxes of the remaining trees, although the effectiveness varied by climate and topography. Variable thinning that adjusted thinning intensity based on topography-mediated water availability achieved higher stand productivity and lower mortality risk, compared to evenly-spaced thinning at comparable intensities. The results from numerical experiments provided mechanistic evidence that topography mediates the effectiveness of thinning and highlighted the need for an explicit consideration of within-stand heterogeneity in trees and abiotic environments when designing forest thinning to mitigate drought impacts.<\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"IOP Publishing","journal_name":"Environmental Research Letters","journal_issue":"3","journal_volume":"19","format":"Medium: X; Size: Article No. 034035","authors":["Thomas, Anooja","Kolb, Thomas (ORCID:0000000238294265)","Biederman, Joel A. (ORCID:000000021831461X)","Venturas, Martin D. (ORCID:0000000159729064)","Ma, Qin","Yang, Di (ORCID:0000000240106163)","Dore, Sabina","Tai, Xiaonan (ORCID:0000000230403121)"],"article_type":"Published Article","doe_contract_number":"SC0023308; DEB 2106030; 501100011033; MCIN/AEI/ 10.13039; RYC2020-029792-I","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1748-9326","other_identifiers":["Journal ID: ISSN 1748-9326"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315072"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315072"}]}, {"osti_id":"2290428","title":"An unusual ionic cocrystal of ponatinib hydrochloride: characterization by single-crystal X-ray diffraction and ultra-high field NMR spectroscopy","doi":"10.1039/D3CE01062G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: CrystEngComm Journal Volume: 26 Journal Issue: 9","description":"<p>We characterize an ionic cocrystal of ponatinib HCl using X-ray diffraction and solid-state NMR. Multinuclear NMR, with ultra-high fields up to 35.2 T, lays the groundwork for characterization of complex crystals in the absence of diffraction data.<\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"CrystEngComm","journal_issue":"9","journal_volume":"26","format":"Medium: X; Size: p. 1219-1233","authors":["Stirk, Alexander J. [Apotex Pharmachem Inc., Brantford, ON, N3T 6B8, Canada] (ORCID:0000000249730747)","Holmes, Sean T. [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA, National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA] (ORCID:0000000258219641)","Souza, Fabio E. S. [Apotex Pharmachem Inc., Brantford, ON, N3T 6B8, Canada]","Hung, Ivan [National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA] (ORCID:000000018916739X)","Gan, Zhehong [National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA] (ORCID:0000000298555113)","Britten, James F. [MAX Diffraction Facility, McMaster University, Hamilton, ON, L8S 4M1, Canada]","Rey, Allan W. [Apotex Pharmachem Inc., Brantford, ON, N3T 6B8, Canada]","Schurko, Robert W. [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA, National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA] (ORCID:000000025093400X)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1466-8033","other_identifiers":["Journal ID: ISSN 1466-8033; CRECF4"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290428"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290428"}]}, {"osti_id":"2315049","title":"Representing farmer irrigated crop area adaptation in a large-scale hydrological model","report_number":"PNNL-SA-167240","doi":"10.5194/hess-28-899-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Hydrology and Earth System Sciences (Online) Journal Volume: 28 Journal Issue: 4","description":"<p>Abstract. Large-scale hydrological models (LHMs) are commonly used for regional and global assessment of future water shortage outcomes under climate and socioeconomic scenarios. The irrigation of croplands, which accounts for the lion\'s share of human water consumption, is critical in understanding these water shortage trajectories. Despite irrigation\'s defining role, LHM frameworks typically impose trajectories of land use that underlie irrigation demand, neglecting potential dynamic feedbacks in the form of human instigation of and subsequent adaptation to water shortages via irrigated crop area changes. We extend an LHM, MOSART-WM, with adaptive farmer agents, applying the model to the continental United States to explore water shortage outcomes that emerge from the interplay between hydrologic-driven surface water availability, reservoir management, and farmer irrigated crop area adaptation. The extended modeling framework is used to conduct a hypothetical computational experiment comparing differences between a model run with and without the incorporation of adaptive farmer agents. These comparative simulations reveal that accounting for farmer adaptation via irrigated crop area changes substantially alters modeled water shortage outcomes, with US-wide annual water shortages being reduced by as much as 42 % when comparing adaptive and non-adaptive versions of the model forced with US climatology from the period 1950–2009.<\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Hydrology and Earth System Sciences (Online)","journal_issue":"4","journal_volume":"28","format":"Medium: X; Size: p. 899-916","authors":["Yoon, Jim (ORCID:0000000280252587)","Voisin, Nathalie (ORCID:000000026848449X)","Klassert, Christian (ORCID:0000000306762455)","Thurber, Travis","Xu, Wenwei"],"article_type":"Published Article","doe_contract_number":"59534; AC05-76RL01830","subjects":[],"orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER). Earth & Environmental Systems Science (EESS)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Biological and Environmental Research (BER). Earth & Environmental Systems Science (EESS)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 1607-7938","other_identifiers":["Journal ID: ISSN 1607-7938"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315049"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315049"}]}, {"osti_id":"2315055","title":"Simulation-Based Assessment of Energy Consumption of Alternative Powertrains in Agricultural Tractors","doi":"10.3390/wevj15030086","product_type":"Journal Article","language":"English","country_publication":"Belgium","relation":"Journal Name: World Electric Vehicle Journal Journal Volume: 15 Journal Issue: 3","description":"<p>The objectives of this research were to develop simulation models for agricultural tractors with different powertrain technologies and evaluate the energy consumption in typical agricultural operations. Simulation models were developed for conventional, parallel hybrid electric, series hybrid electric, fuel cell hybrid, and battery electric powertrains. Autonomie vehicle simulation software (version 2022) was used for the simulations and the tractor models were simulated in two tilling cycles and in a road transport cycle with a trailer. The alternative powertrains were configured to have at least the same tractive performance as the conventional, diesel engine-powered tractor model. The simulation results showed that the potential of the parallel and series hybrid powertrains to improve energy efficiency depends heavily on the tractor size and the operating cycle conditions. The fuel cell hybrid and battery electric powertrains have a higher potential to reduce energy consumption and emissions but still have inherent technical challenges for practical operation. The battery-powered electric tractor would require improvements in the storage energy density to have a comparable operational performance in comparison to other powertrains. The fuel cell hybrid tractor already provided an adequate operating performance but the availability of hydrogen and refueling infrastructure could be challenging to resolve in the farming context.<\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"MDPI AG","journal_name":"World Electric Vehicle Journal","journal_issue":"3","journal_volume":"15","format":"Medium: X; Size: Article No. 86","authors":["Lajunen, Antti (ORCID:0000000221757833)","Kivekäs, Klaus (ORCID:0000000222338876)","Freyermuth, Vincent","Vijayagopal, Ram (ORCID:0000000320013055)","Kim, Namdoo (ORCID:000000025201539X)"],"article_type":"Published Article","doe_contract_number":"AC02-06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2032-6653","other_identifiers":["Journal ID: ISSN 2032-6653; WEVJAU; PII: wevj15030086"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315055"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315055"}]}, {"osti_id":"2315067","title":"First simultaneous global QCD analysis of dihadron fragmentation functions and transversity parton distribution functions","report_number":"JLAB-THY-23-3901; DOE/OR/23177-7035","doi":"10.1103/PhysRevD.109.034024","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D. Journal Volume: 109 Journal Issue: 3","description":"We perform a comprehensive study within quantum chromodynamics (QCD) of dihadron observables in electron-positron annihilation, semi-inclusive deep-inelastic scattering, and proton-proton collisions, including recent cross section data from Belle and azimuthal asymmetries from STAR. We extract simultaneously for the first time $\\pi^+\\pi^-$ dihadron fragmentation functions (DiFFs) and the nucleon transversity distributions for up and down quarks as well as antiquarks. For the transversity distributions we impose their small-$x$ asymptotic behavior and the Soffer bound. In addition, we utilize a new definition of DiFFs that has a number density interpretation to then calculate expectation values for the dihadron invariant mass and momentum fraction. Furthermore, we investigate the compatibility of our transversity results with those from single-hadron fragmentation (from a transverse momentum dependent/collinear twist-3 framework) and the nucleon tensor charges computed in lattice QCD. We find a universal nature to all of this available information. Future measurements of dihadron production can significantly further this research, especially, as we show, those that are sensitive to the region of large parton momentum fractions.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. D.","journal_issue":"3","journal_volume":"109","format":"Medium: X","authors":["Cocuzza, C. (ORCID:0000000349229247)","Metz, A.","Pitonyak, D.","Prokudin, A.","Sato, N.","Seidl, R.","Jefferson Lab Angular Momentum (JAM) Collaboration"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS"],"article_type":"Published Article","contributing_org":"Jefferson Lab Angular Momentum (JAM) Collaboration","doe_contract_number":"AC05-06OR23177; PHY-2011763; PHY-2308567; PHY-2012002; PHY-2310031; PHY-2335114","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"}],"research_orgs":["Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; PRVDAQ; 034024"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315067"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315067"}]}, {"osti_id":"2315042","title":"Molecular Dynamics Investigation of Lipid-Specific Interactions with a Fusion Peptide","doi":"10.3390/biom14030285","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Biomolecules Journal Volume: 14 Journal Issue: 3","description":"<p>The HIV-1 fusion peptide, which is a short hydrophobic peptide from the gp41 coat glycoprotein that participates in the infection of a cell, interacts with model lipid bilayer membranes in a concentration-dependent manner. The interaction of the peptide with the bilayer also strongly depends on the lipid composition. Here, molecular dynamics simulations were performed to investigate lipid-specific interactions that arise shortly after the binding of a less-fusogenic variant of the HIV-1 fusion peptide to a lipid bilayer composed of a mixture of dimyristoyl phosphatidylcholine and dimyristoyl phosphatidylglycerol. The impact of peptide concentration was also studied. An improved understanding was gained of the lipid-specific interactions experienced by the FP. New insight was also gained into how the peptide concentration changes these interactions.<\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"MDPI AG","journal_name":"Biomolecules","journal_issue":"3","journal_volume":"14","format":"Medium: X; Size: Article No. 285","authors":["Heller, William T. (ORCID:0000000164562975)"],"subjects":["HIV-1","viral fusion peptide","molecular dynamics simulations"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2218-273X","other_identifiers":["Journal ID: ISSN 2218-273X; BIOMHC; PII: biom14030285"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315042"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315042"}]}, {"osti_id":"2311904","title":"The Virasoro minimal string","doi":"10.21468/SciPostPhys.16.2.057","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: SciPost Physics Journal Volume: 16 Journal Issue: 2","description":"<p>\n We introduce a critical string theory in two dimensions and demonstrate that this theory, viewed as two-dimensional quantum gravity on the worldsheet, is equivalent to a double-scaled matrix integral. The worldsheet theory consists of Liouville CFT with central charge c\n <inline-formula>\n <alternatives>\n <tex-math>≥<\/tex-math>\n <math display=\'inline\'>\n <mo>≥<\/mo>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n 25 coupled to timelike Liouville CFT with central charge 26-c. The double-scaled matrix integral has as its leading density of states the universal Cardy density of primaries in a two-dimensional CFT, thus motivating the name Virasoro minimal string. The duality holds for any value of the continuous parameter\n <inline-formula>\n <alternatives>\n <tex-math>c<\/tex-math>\n <math display=\'inline\'>\n <mi>c<\/mi>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n and reduces to the JT gravity/matrix integral duality in the large central charge limit. It thus provides a precise stringy realization of JT gravity. The main observables of the Virasoro minimal string are quantum analogues of the Weil-Petersson volumes, which are computed as absolutely convergent integrals of worldsheet CFT correlators over the moduli space of Riemann surfaces. By exploiting a relation of the Virasoro minimal string to three-dimensional gravity and intersection theory on the moduli space of Riemann surfaces, we are able to give a direct derivation of the duality. We provide many checks, such as explicit numerical - and in special cases, analytic - integration of string diagrams, the identification of the CFT boundary conditions with asymptotic boundaries of the two-dimensional spacetime, and the matching between the leading non-perturbative corrections of the worldsheet theory and the matrix integral. As a byproduct, we discover natural conformal boundary conditions for timelike Liouville CFT.\n <\/p>","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Stichting SciPost","journal_name":"SciPost Physics","journal_issue":"2","journal_volume":"16","format":"Medium: X","authors":["Collier, Scott","Eberhardt, Lorenz","Muehlmann, Beatrix","Rodriguez, Victor A."],"article_type":"Published Article","doe_contract_number":"SC0009988","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2542-4653","other_identifiers":["Journal ID: ISSN 2542-4653; 057"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311904"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311904"}]}, {"osti_id":"2323242","title":"Evaluation of methods for characterizing the fine particulate matter emissions from aircraft and other diffusion flame combustion aerosol sources","report_number":"PNNL-SA-187513","doi":"10.1016/j.jaerosci.2024.106352","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Aerosol Science; Journal Volume: 178","description":"The U. S. Environmental Protection Agency in collaboration with the U. S. Air Force Arnold Engineering Development Complex conducted the VAriable Response In Aircraft nvPM Testing (VARIAnT) 3 and 4 test campaigns to compare nvPM emissions measurements from a variety of diffusion flame combustion aerosol sources (DFCASs), including a Cummins diesel engine, a diesel powered generator, two gas turbine start carts, a J85-GE-5 turbojet engine burning multiple fuels, and a Mini-CAST soot generator. The VARIAnT research program has conducted four test campaigns to date with the VARIAnT 3 and 4 test campaigns focusing on BC mass instrument performance, use of gas turbine engine sources for BC mass instrument calibration, and the characterization of the aerosols produced from the combustion sources. Results from both campaigns revealed agreement of about 20% between the AVL Micro-Soot Sensor, the Cavity Attenuated Phase Shift (CAPS PMSSA) monitor and the thermal-optical reference method for elemental carbon (EC), independent of the calibration source used. For the Artium LII-300, the measured mass concentrations in VARIAnT3 fall within 18% and in VARIAnT4 fall within 32% of the reference EC mass concentration when calibrated on a combustor rig in VARIAnT3 and on a LGT-60 start cart in VARIAnT4, respectively. It was also found that the three mass instrument types (MSS, CAPS PMSSA, and LII-300) can exhibit different BC to reference EC ratios depending on the emission source that appear to correlate to particle geometric mean mobility diameter, morphology, or some other parameter associated with particle geometric mean diameter (GMD) with the LII-300 showing a slightly stronger apparent trend with GMD. Systematic differences in LII-300 measured mass concentrations have been reduced by calibrating with a turbine combustion source (combustor or turbine engine). With respect to the particle size measurements made, the sizing instruments (TSI SMPS, TSI EEPS, and Cambustion DMS 500) were found to be in general agreement in terms of size distributions and concentrations with some exceptions. Teflon filter measurements of the total aerosol mass produced by the various DFCASs differed from the reference EC, BC, and integrated particle sized distribution measured aerosol masses. The Teflon filter measured mass was 30 to 40% greater than the reference EC and 50 to 60% greater than the BC mass for the J85 in both test campaigns. The measurements of particle size distributions and single particle analysis by miniSPLAT indicated the presence of large particles (>100 nm) having more compact morphologies, higher effective density, and a composition dominated by OC and ash. This increased large particle fraction is also associated with higher values of single scattering albedo measured by the CAPS PMSSA instrument and higher OC/EC measurements. These measurements indicate gas turbine engine emissions can be a more heterogeneous mix of particle types beyond the original E31 assumption that it is mainly composed of black carbon.","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Elsevier","journal_name":"Journal of Aerosol Science","journal_volume":"178","format":"Medium: ED; Size: Article No. 106352","authors":["Giannelli, Robert [National Vehicle and Fuels Emissions Laboratory, Ann Arbor, MI (United States)]","Stevens, Jeffrey [National Vehicle and Fuels Emissions Laboratory, Ann Arbor, MI (United States)]","Kinsey, John S. [Shu Research LLC, Mebane, NC (United States)]","Kittelson, David [University of Minnesota, Minneapolis, MN (United States)]","Zelenyuk, Alla [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000206740910)","Howard, Robert [Arnold Engineering Development Complex, Arnold Air Force Base, TN (United States)]","Forde, Mary [Arnold Engineering Development Complex, Arnold Air Force Base, TN (United States)]","Hoffman, Brandon [U.S. Air Force, Wright Patterson Air Force Base, OH (United States)]","Leggett, Cullen [National Vehicle and Fuels Emissions Laboratory, Ann Arbor, MI (United States)]","Maeroff, Bruce [National Vehicle and Fuels Emissions Laboratory, Ann Arbor, MI (United States)]","Bies, Nick [National Vehicle and Fuels Emissions Laboratory, Ann Arbor, MI (United States)]","Swanson, Jacob [Minnesota State University, Bloomington, MN (United States)]","Suski, Kaitlyn [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Payne, Gregory [Artium Technologies Inc., Sunnyvale, CA (United States)]","Manin, Julien [Artium Technologies Inc., Sunnyvale, CA (United States)]","Frazee, Richard [Singularity Scientific Consulting Services, LLC, Whitmore Lake, MI (United States)]","Onasch, Timothy B. [Aerodyne Research Inc., Billerica, MA (United States)]","Freedman, Andrew [Aerodyne Research Inc., Billerica, MA (United States)]","Khalek, Imad [Southwest Research Institute, San Antonio, TX (United States)]","Badshah, Huzeifa [Southwest Research Institute, San Antonio, TX (United States)]","Preece, Daniel [Southwest Research Institute, San Antonio, TX (United States)]","Premnath, Vinay [Southwest Research Institute, San Antonio, TX (United States)]","Agnew, Scott [National Vehicle and Fuels Emissions Laboratory, Ann Arbor, MI (United States)]"],"subjects":["combustion aerosols","aircraft turbine engines","black carbon","elemental carbon","laboratory generated soot"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"Environmental Protection Agency"},{"name":"U.S. Air Force Research Laboratory"}],"sponsor_orgs":["USDOE Office of Science (SC)","Environmental Protection Agency","U.S. Air Force Research Laboratory"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 0021-8502","other_identifiers":["Journal ID: ISSN 0021-8502"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323242"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2323242"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323242"}]}, {"osti_id":"2315754","title":"Photovoltaic inverter-based quantification of snow conditions and power loss","doi":"10.1051/epjpv/2024004","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: EPJ Photovoltaics Journal Volume: 15","description":"<p>Snow is a significant challenge for photovoltaic (PV) systems at northern latitudes, where the pace of deployment is rapid but snow-related power losses can exceed 30% of annual production. Accurate snow-related power loss estimation methods for utility-scale sites can support snow mitigation strategies, inform resource planning and validate predictive snow-loss models. This study builds on our previous work on inverter-based detection of snow, and its implications for utility-scale power production, by validating the accuracy of our snow-loss method across different PV sites and system designs and highlighting its value in bringing greater visibility to PV plant operations in winter. Our estimation method is both novel and scalable, requiring only standard monitoring data to correlate snow-related losses with meteorological data. As demonstrated here, our validation method involved three main steps: 1) estimation of performance losses for multiple systems by comparing measured inverter data to modeled data; 2) application of a detection framework to identify which performance losses are snow-related; and 3) comparison of snow-related losses among three utility-scale sites differing in tilt angle. Results show that utility-scale systems at higher tilt angles consistently shed snow more quickly/completely than their lower-tilt counterparts. Further, monthly and seasonal snow losses are inversely and non-linearly correlated with tilt angle when normalized for cumulative snowfall. These results are consistent with the findings of previous studies and support the broad applicability of this method to fixed-tilt utility-scale PV systems around the world that routinely experience snow-related performance losses.<\/p>","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"EDP Sciences","journal_name":"EPJ Photovoltaics","journal_volume":"15","format":"Medium: X; Size: Article No. 6","authors":["Cooper, Emma C. (ORCID:0000000190554098)","Burnham, Laurie","Braid, Jennifer L."],"article_type":"Published Article","doe_contract_number":"38527","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2105-0716","other_identifiers":["Journal ID: ISSN 2105-0716; PII: pv230061"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315754"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315754"}]}, {"osti_id":"2317763","title":"Phonon-mediated temperature dependence of Er<sup>3+<\/sup> optical transitions in Er<sub>2<\/sub>O<sub>3<\/sub>","doi":"10.1038/s42005-024-01559-z","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Communications Physics; Journal Volume: 7","description":"Characterization of the atomic level processes that determine optical transitions in emerging materials is critical to the development of new platforms for classical and quantum networking. Such understanding often emerges from studies of the temperature dependence of the transitions. We report measurements of the temperature dependent Er<sup>3+<\/sup> photoluminescence in single crystal Er<sub>2<\/sub>O<sub>3<\/sub> thin films epitaxially grown on Si(111) focused on transitions that involve the closely spaced Stark-split levels. Radiative intensities are compared to a model that includes relevant Stark-split states, single phonon-assisted excitations, and the well-established level population redistribution due to thermalization. This approach, applied to the individual Stark-split states and employing Er<sub>2<\/sub>O<sub>3<\/sub> specific single-phonon-assisted excitations, gives good agreement with experiment. This model allows us to demonstrate the difference in the electron-phonon coupling of the <sup>4<\/sup>S<sub>3/2<\/sub> and <sup>2<\/sup>H<sub>11/2<\/sub> states of Er<sup>3+<\/sup> in E<sub>2<\/sub>O<sub>3<\/sub> and suggests that the temperature dependence of Er<sup>3+<\/sup> emission intensity may vary significantly with small shifts in the wavelength (~0.1 nm) of the excitation source.","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Springer Nature","journal_name":"Communications Physics","journal_volume":"7","format":"Medium: ED; Size: Article No. 69","authors":["Dodson, Adam [Vanderbilt Univ., Nashville, TN (United States)] (ORCID:0009000508430800)","Wu, Hongrui [Vanderbilt Univ., Nashville, TN (United States)]","Rai, Anuruddh [Univ. of Texas, Austin, TX (United States)]","Apte, Sohm [Univ. of Texas, Austin, TX (United States)] (ORCID:0000000209215070)","O’Hara, Andrew [Vanderbilt Univ., Nashville, TN (United States); Western Michigan Univ., Kalamazoo MI (United States)]","Lawrie, Benjamin [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000031431066X)","Wang, Yongqiang [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)]","Ueda, Akira [Fisk Univ., Nashville, TN (United States)]","Krzyżanowska, Halina [Vanderbilt Univ., Nashville, TN (United States); Maria Curie-Sklodowska Univ., Lublin (Poland)]","Titze, Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for Integrated Nanotechnologies] (ORCID:0000000347014453)","Davidson, Jimmy [Vanderbilt Univ., Nashville, TN (United States)]","Hmelo, Anthony [Vanderbilt Univ., Nashville, TN (United States)]","Posadas, Agham B. [Univ. of Texas, Austin, TX (United States)]","Demkov, Alexander A. [Univ. of Texas, Austin, TX (United States)] (ORCID:0000000342413519)","Pantelides, Sokrates T. [Vanderbilt Univ., Nashville, TN (United States)] (ORCID:0000000229637545)","Feldman, Leonard C. [Vanderbilt Univ., Nashville, TN (United States); Rutgers Univ., Piscataway, NJ (United States)] (ORCID:0000000233978262)","Tolk, Norman H. [Vanderbilt Univ., Nashville, TN (United States)]"],"subjects":["condensed-matter physics","optics and photonics"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; 89233218CNA000001","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 2399-3650","other_identifiers":["Journal ID: ISSN 2399-3650"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317763"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2317763"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317763"}]}, {"osti_id":"2319080","title":"Exploring modified gravity: constraints on the μ and Σ parametrization with\n <i>WMAP<\/i>\n , ACT, and SPT","doi":"10.1093/mnras/stae402","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 529 Journal Issue: 2","description":"<title>ABSTRACT<\/title>\n <p>The cosmic acceleration problem remains one of the most significant challenges in cosmology. One of the proposed solutions to this problem is the modification of gravity on large scales. In this paper, we explore the well-known μ–Σ parametrization scenarios and confront them with observational data, including the cosmic microwave background (CMB) radiation from the Wilkinson Microwave Anisotropy Probe (WMAP), Atacama Cosmology Telescope (ACT), and South Pole Telescope (SPT), as well as large-scale structure data from the Sloan Digital Sky Survey (SDSS; baryon acoustic oscillation + redshift-space distortion) and Pantheon supernova (SN) catalogue. We employ a Bayesian framework to constrain the model parameters and discuss the implications of our results on the viability of modified gravity theories. Our analysis reveals the strengths and limitations of the μ–Σ parametrization and provides valuable insights into the nature of gravity on cosmological scales. From the joint analysis of the ACT + WMAP + SDSS + SN, we find μ0 − 1 = 0.02 ± 0.19 and Σ0 − 1 = 0.021 ± 0.068 at 68 per cent confidence level (CL). In light of the SPT + WMAP + SDSS + SN, we find μ0 − 1 = 0.07 ± 0.18 and $\\Sigma _0 -1 = -0.009^{+0.078}_{-0.11}$ at 68 per cent CL. In all the analyses carried out, we do not find any deviations from the theory of general relativity. Our results represent an observational update on the well-known μ–Σ parametrization in view of current CMB data, independent of and competitive with the constraints obtained with the Planck data.<\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"2","journal_volume":"529","format":"Medium: X; Size: p. 831-838","authors":["Andrade, Uendert (ORCID:0000000241188236)","Capistrano, Abraão J. S. (ORCID:0000000343640166)","Di Valentino, Eleonora (ORCID:0000000184086961)","Nunes, Rafael C. (ORCID:0000000284325616)"],"article_type":"Published Article","doe_contract_number":"FG02-95ER40899","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319080"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319080"}]}, {"osti_id":"2320380","title":"Thin-film lithium niobate electro-optic terahertz wave detector","doi":"10.1038/s41598-024-55156-9","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Scientific Reports; Journal Volume: 14; Journal Issue: 1","description":"Here, the design, fabrication, and validation of a thin-film lithium niobate on insulator (LNOI) electro-optic (EO) time-domain terahertz (THz) wave detector is reported. LNOI offers unprecedented properties for the EO detection of freely propagating THz wave radiation pulses and transient electric fields because of the large EO coefficient of the material, engineering of the velocity matching of the THz wave and optical wave, and much reduced detector size. The proof-of-concept device is realized using thin-film lithium niobate optical waveguides forming a Mach–Zehnder interferometer with interferometer arms electrically poled in opposite directions. THz waves are coupled effectively to the fully dielectric device from free space without using antennas or plasmonics. The detection of THz waves with frequencies up to 800 GHz is successfully demonstrated. The detector allows for the detection of THz frequency electric fields up to 4.6 MV/m. The observed frequency response of the device agrees well with theoretical predictions.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: ED; Size: Article No. 4822","authors":["Wilke, Ingrid [Rensselaer Polytechnic Inst., Troy, NY (United States)]","Monahan, Jackson [Rensselaer Polytechnic Inst., Troy, NY (United States)] (ORCID:0000000281373452)","Toroghi, Seyfollah [Partow Technologies LLC, Vista, CA (United States)]","Rabiei, Payam [Partow Technologies LLC, Vista, CA (United States)]","Hine, George [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000274051324)"],"subjects":["optical physics","optics and photonics","terahertz optics"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320380"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2320380"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320380"}]}, {"osti_id":"2320281","title":"Exploiting a derivative discontinuity estimate for accurate\n <i>G<\/i>\n <sub>0<\/sub>\n <i>W<\/i>\n <sub>0<\/sub>\n ionization potentials and electron affinities","doi":"10.1088/2516-1075/ad3124","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Electronic Structure","description":"<title>Abstract<\/title>\n <p>\n The\n <italic>GW<\/italic>\n approximation has become an important tool for predicting charged excitations of isolated molecules and condensed systems. Its popularity can be attributed to many factors, including a favorable scaling and relatively good accuracy. In practical applications, the\n <italic>GW<\/italic>\n is often performed as a one-shot perturbation known as\n <italic>G<\/italic>\n <sub>0<\/sub>\n <italic>W<\/italic>\n <sub>0<\/sub>\n . Unfortunately,\n <italic>G<\/italic>\n <sub>0<\/sub>\n <italic>W<\/italic>\n <sub>0<\/sub>\n suffers from a strong starting point dependence and is often not as accurate as one would need. Self-consistent\n <italic>GW<\/italic>\n methodologies alleviate these problems but come with a marked increase in computational cost. In this manuscript, we propose the use of an estimate of the exchange-correlation derivative discontinuity to provide a remarkably good starting point for\n <italic>G<\/italic>\n <sub>0<\/sub>\n <italic>W<\/italic>\n <sub>0<\/sub>\n calculations, yielding ionization potentials and electron affinities with eigenvalue self-consistent\n <italic>GW<\/italic>\n quality at no additional cost. We assess the quality of the resulting methodology with the GW100 benchmark set and compare its advantages over other similar methods.\n <\/p>","publication_date":"2024-03-07T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"IOP Publishing","journal_name":"Electronic Structure","format":"Medium: X","authors":["Mejia Rodriguez, Daniel (ORCID:0000000203502941)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2516-1075","other_identifiers":["Journal ID: ISSN 2516-1075"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320281"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320281"}]}, {"osti_id":"2283482","title":"A deep decarbonization framework for the United States economy – a sector, sub-sector, and end-use based approach","doi":"10.1039/D3SE00807J","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Sustainable Energy & Fuels Journal Volume: 8 Journal Issue: 5","description":"<p>Achieving the United States\' target of net-zero greenhouse gas emissions by 2050 will require technological transformations and energy sector migration.<\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Sustainable Energy & Fuels","journal_issue":"5","journal_volume":"8","format":"Medium: X; Size: p. 1024-1039","authors":["Kar, Saurajyoti [Argonne National Laboratory, USA] (ORCID:0000000192644599)","Hawkins, Troy R. [Argonne National Laboratory, USA]","Zaimes, George G. [Argonne National Laboratory, USA]","Oke, Doris [Argonne National Laboratory, USA] (ORCID:0000000296602895)","Singh, Udayan [Argonne National Laboratory, USA]","Wu, Xinyi [Argonne National Laboratory, USA]","Kwon, Hoyoung [Argonne National Laboratory, USA]","Zhang, Shannon [Argonne National Laboratory, USA]","Zang, Guiyan [Argonne National Laboratory, USA] (ORCID:0000000309484673)","Zhou, Yan [Argonne National Laboratory, USA]","Elgowainy, Amgad [Argonne National Laboratory, USA] (ORCID:0000000337134654)","Wang, Michael [Argonne National Laboratory, USA]","Ma, Ookie [Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy, USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2398-4902","other_identifiers":["Journal ID: ISSN 2398-4902; SEFUA7"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283482"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283482"}]}, {"osti_id":"2316114","title":"FEFF analysis of americium oxides","report_number":"LLNL-JRNL-858822","doi":"10.1116/6.0003428","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Vacuum Science and Technology A; Journal Volume: 42; Journal Issue: 2","description":"The Am N<sub>4,5<\/sub> (4d<sub>3/2<\/sub> and 4d<sub>5/2<\/sub>) and Am O<sub>4,5<\/sub> (5d<sub>3/2 <\/sub>and 5d<sub>5/2<\/sub>) x-ray absorption spectroscopy (XAS) of americium sesquioxide (Am<sub>2<\/sub>O<sub>3<\/sub>) and americium dioxide (AmO<sub>2<\/sub>) has been evaluated with FEFF, a Green\'s function–based, multiple scattering code. Taking guidance from the intermediate coupling model (ICM), applicable to local and nonmagnetized samples, it is possible to completely reconstruct the experimental results for the N<sub>4,5<\/sub> spectra, including the observed differences between the Am<sub>2<\/sub>O<sub>3<\/sub> and the AmO<sub>2<\/sub> cases. Although complicated by a more asymmetric line shape and difficult background variations, the FEFF analysis confirms the absence of core hole angular momentum coupling in Am O<sub>4,5<\/sub> spectroscopy.","availability":"External Audience (Unlimited)","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"American Vacuum Society / AIP","journal_name":"Journal of Vacuum Science and Technology A","journal_issue":"2","journal_volume":"42","format":"Medium: ED; Size: Article 023209","authors":["Tobin, J. G. [University of Wisconsin-Oshkosh, Oshkosh, WI (United States)] (ORCID:0000000322943301)","Yu, S. -W. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Shuh, D. K. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]","Butorin, S. M. [Uppsala University (Sweden)] (ORCID:0000000332425305)"],"subjects":["36 MATERIALS SCIENCE","angular momentum coupling","electronic band structure","electron energy loss spectroscopy","x-ray absorption spectroscopy","extended X-ray absorption fine structure","molecular structure","elastic electron scattering","radioactive decay","chromatography","scattering theory"],"article_type":"Accepted Manuscript","doe_contract_number":"AC52-07NA27344; AC02-05CH11231; 2017-06465; 2018-05973","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"},{"name":"Swedish Research Council (SRC)"},{"name":"Swedish National Infrastructure for Computing (SNIC)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)","Swedish Research Council (SRC)","Swedish National Infrastructure for Computing (SNIC)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 0734-2101","other_identifiers":["Journal ID: ISSN 0734-2101; 1089367"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316114"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316114"}]}, {"osti_id":"2315720","title":"Interlayer Coupling Controlled Ordering and Phases in Polar Vortex Superlattices","doi":"10.1021/acs.nanolett.3c03738","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nano Letters Journal Volume: 24 Journal Issue: 10","description":"The recent discovery of polar topological structures has opened the door\r\nfor exciting physics and emergent properties. There is, however, little methodology to\r\nengineer stability and ordering in these systems, properties of interest for engineering\r\nemergent functionalities. Notably, when the surface area is extended to arbitrary\r\nthicknesses, the topological polar texture becomes unstable. Here we show that this\r\ninstability of the phase is due to electrical coupling between successive layers. We\r\ndemonstrate that this electrical coupling is indicative of an effective screening length in\r\nthe dielectric, similar to the conductor–ferroelectric interface. Controlling the\r\nelectrostatics of the superlattice interfaces, the system can be tuned between a pure\r\ntopological vortex state and a mixed classical-topological phase. This coupling also\r\nenables engineering coherency among the vortices, not only tuning the bulk phase\r\ndiagram but also enabling the emergence of a 3D lattice of polar textures.","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"American Chemical Society","journal_name":"Nano Letters","journal_issue":"10","journal_volume":"24","format":"Medium: X; Size: p. 2972-2979","authors":["Meisenheimer, Peter [Department of Materials Science and Engineering, University of California, Berkeley, California 94720, United States] (ORCID:0000000289033065)","Ghosal, Arundhati [Department of Physics, University of California, Berkeley, California 94720, United States]","Hoglund, Eric [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States]","Wang, Zhiyang [Department of Materials Science and Engineering, Penn State University, State College, Pennsylvania 16801, United States] (ORCID:0009000352768791)","Behera, Piush [Department of Materials Science and Engineering, University of California, Berkeley, California 94720, United States]","Gómez-Ortiz, Fernando [Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Avenida de los Castros s/n, 39005 Santander, Spain] (ORCID:0000000272038476)","Kavle, Pravin [Department of Materials Science and Engineering, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States]","Karapetrova, Evguenia [Advanced Photon Source, Argonne National Laboratory, Lemont, Illinois 60439, United States]","García-Fernández, Pablo [Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Avenida de los Castros s/n, 39005 Santander, Spain] (ORCID:0000000249010811)","Martin, Lane W. [Department of Materials Science and Engineering, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Department of Materials Science and Nanoengineering, Rice University, Houston, Texas 77005, United States]","Raja, Archana [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:000000018906549X)","Chen, Long-Qing [Department of Materials Science and Engineering, Penn State University, State College, Pennsylvania 16801, United States] (ORCID:0000000333593781)","Hopkins, Patrick E. (ORCID:000000023403743X)","Junquera, Javier [Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Avenida de los Castros s/n, 39005 Santander, Spain]","Ramesh, Ramamoorthy [Department of Materials Science and Engineering, University of California, Berkeley, California 94720, United States, Department of Physics, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Department of Materials Science and Nanoengineering, Rice University, Houston, Texas 77005, United States, Department of Physics and Astronomy, Rice University, Houston, Texas 77005, United States]"],"subjects":["ferroelectrics","superlattice","polar topologies","3D ordering","phase change","lattices","layers","phase transitions","polarization","thickness"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231; W911NF-21-1-0119; N00014-23-1-2630","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"US Army Research Office (ARO)"},{"name":"US Department of the Navy, Office of Naval Research (ONR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","US Army Research Office (ARO)","US Department of the Navy, Office of Naval Research (ONR)"],"orgs_research":[{"name":"University of California, Berkeley, CA (United States)"}],"research_orgs":["University of California, Berkeley, CA (United States)"],"journal_issn":"ISSN 1530-6984","other_identifiers":["Journal ID: ISSN 1530-6984"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315720"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315720"}]}, {"osti_id":"2320375","title":"Probabilistic measures for biological adaptation and resilience","doi":"10.1103/physreve.109.024413","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. E; Journal Volume: 109; Journal Issue: 2","description":"This paper introduces an approach to quantifying ecological resilience in biological systems, particularly focusing on noisy systems responding to episodic disturbances with sudden adaptations. Incorporating concepts from nonequilibrium statistical mechanics, we propose a measure termed “ecological resilience through adaptation,” specifically tailored to noisy, forced systems that undergo physiological adaptation in the face of stressful environmental changes. Randomness plays a key role, accounting for model uncertainty and the inherent variability in the dynamical response among components of biological systems. Our measure of resilience is rooted in the probabilistic description of states within these systems and is defined in terms of the dynamics of the ensemble average of a model-specific observable quantifying success or well-being. Our approach utilizes stochastic linear response theory to compute how the expected success of a system, originally in statistical equilibrium, dynamically changes in response to a environmental perturbation and a subsequent adaptation. Importantly, the resulting mathematical derivations allow for the estimation of resilience in terms of ensemble averages of simulated or experimental data. Finally, through a simple but clear conceptual example, we illustrate how our resilience measure can be interpreted and compared to other existing frameworks in the literature. The methodology is general but inspired by applications in plant systems, with the potential for broader application to complex biological processes.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. E","journal_issue":"2","journal_volume":"109","format":"Medium: ED; Size: Article No. 024413","authors":["Ramirez Osorio, Jorge Mario [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000204027484)","Restrepo, Juan Mario [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)] (ORCID:0000000326092882)","Lucarini, Valerio [Univ. of Leicester (United Kingdom); Univ. of Reading (United Kingdom)] (ORCID:0000000193921471)","Weston, David [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000247949913)"],"subjects":["learning & adaptation without a brain","nonequilibrium statistical mechanics","phase transitions in biological systems","linear response theory","stochastic differential equations"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2470-0045","other_identifiers":["Journal ID: ISSN 2470-0045"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320375"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320375"}]}, {"osti_id":"2315068","title":"Small resonant magnetic perturbations result in three-dimensional material transport in the fusion plasma edge","doi":"10.1088/1741-4326/ad2b2d","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion Journal Volume: 64 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>Erosion patterns in a 3D magnetic topology are significantly altered when compared to an axisymmetric scenario due to differences in the impurity transport in a plasma environment. When resonant magnetic perturbations are applied in L-Mode discharges, eroded impurities can buildup in regions where an axisymmetric plasma would otherwise lead to zones of net erosion across the full toroidal length of the divertor. The reduction on the local and integrated erosion observed across a parametric study of the anomalous diffusion and impurity content in a plasma, can lead to the extension of divertor lifetimes in low power scenarios when 3D fields are applied. By contrast, in axisymmetric scenarios, most of the carbon eroded from the divertor are carried away to the far scrape-off layer.<\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","journal_issue":"4","journal_volume":"64","format":"Medium: X; Size: Article No. 046015","authors":["Navarro, Marcos","Romazanov, Juri (ORCID:000000019439786X)","Kirschner, Andreas (ORCID:0000000232133225)","Van Blarcum, Jonathan","Hinson, Edward","Abrams, Tyler (ORCID:0000000296056871)","Schmitz, Oliver (ORCID:0000000295809149)"],"article_type":"Published Article","doe_contract_number":"SC0020284","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315068"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315068"}]}, {"osti_id":"2317737","title":"On the subject of large-scale pool fires and turbulent boundary layer interactions","report_number":"SAND-2024-02278J","doi":"10.1063/5.0196265","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physics of Fluids; Journal Volume: 36; Journal Issue: 2","description":"The role to which a realistic inflow turbulent boundary layer (TBL) influences transient and mean large-scale pool fire quantities of interest (QoIs) is numerically investigated. High-fidelity, low-Mach large-eddy simulations that activate low-dissipation, unstructured numerics are conducted using an unsteady flamelet combustion modeling approach with mutiphysics coupling to soot and participating media radiation transport. Three inlet profile configurations are exercised for a large-scale, high-aspect rectangular pool that is oriented perpendicular to the flow direction: a time-varying, TBL inflow profile obtained from a periodic precursor simulation, the time-mean of the transient TBL, and a steady power-law inflow profile that replicates the mean TBL crosswind velocity of 10.0 m/s at a vertical height of 10 m. Results include both qualitative transient flame evolution and quantitative flame shape with ground-level temperature and convective/radiative heat flux profiles. While transient fire events, which are driven by burst-sweep TBL coupling, such as blow-off and reattachment are vastly different in the TBL case (contributing to increased root mean square QoI fluctuation prediction and disparate flame lengths), mean surface QoI magnitudes are similar. Quadrant analysis demonstrates that the TBL configuration modifies burst-sweep phenomena at windward pool locations, while leeward recovery is found. In conclusion, positive fluctuations of convective heat flux correlate with fast moving fluid away from the pool surface due to intermittent combustion events.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Physics of Fluids","journal_issue":"2","journal_volume":"36","format":"Medium: ED; Size: 1 - 48","authors":["Domino, Stefan P. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Stanford Univ., CA (United States)] (ORCID:0000000289825871)"],"subjects":["97 MATHEMATICS AND COMPUTING"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 1070-6631","other_identifiers":["Journal ID: ISSN 1070-6631"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317737"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317737"}]}, {"osti_id":"2315059","title":"Tunable Magnetic Coupling in Graphene Nanoribbon Quantum Dots","doi":"10.1002/smll.202400473","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Small","description":"<title>Abstract<\/title>\n <p>Carbon‐based quantum dots (QDs) enable flexible manipulation of electronic behavior at the nanoscale, but controlling their magnetic properties requires atomically precise structural control. While magnetism is observed in organic molecules and graphene nanoribbons (GNRs), GNR precursors enabling bottom‐up fabrication of QDs with various spin ground states have not yet been reported. Here the development of a new GNR precursor that results in magnetic QD structures embedded in semiconducting GNRs is reported. Inserting one such molecule into the GNR backbone and graphitizing it results in a QD region hosting one unpaired electron. QDs composed of two precursor molecules exhibit nonmagnetic, antiferromagnetic, or antiferromagnetic ground states, depending on the structural details that determine the coupling behavior of the spins originating from each molecule. The synthesis of these QDs and the emergence of localized states are demonstrated through high‐resolution atomic force microscopy (HR‐AFM), scanning tunneling microscopy (STM) imaging, and spectroscopy, and the relationship between QD atomic structure and magnetic properties is uncovered. GNR QDs provide a useful platform for controlling the spin‐degree of freedom in carbon‐based nanostructures.<\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Small","format":"Medium: X","authors":["Jacobse, Peter H. [Department of Physics University of California, Berkeley Berkeley CA 94720 USA] (ORCID:0000000207776050)","Sarker, Mamun [Department of Chemistry University of Nebraska Lincoln NE 68588 USA, Nebraska Center for Materials and Nanoscience University of Nebraska‐Lincoln Lincoln NE 68588 USA] (ORCID:0000000215417066)","Saxena, Anshul [Walker Department of Mechanical Engineering University of Texas Austin TX 78712 USA, Oden Institute for Computational Engineering and Sciences University of Texas at Austin Austin TX 78712 USA]","Zahl, Percy [Center for Functional Nanomaterials Brookhaven National Laboratory Upton NY 11973 USA] (ORCID:0000000266297500)","Wang, Ziyi [Department of Physics University of California, Berkeley Berkeley CA 94720 USA, Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA, Kavli Energy NanoSciences Institute at the University of California Berkeley and the Lawrence Berkeley National Laboratory Berkeley CA 94720 USA]","Berger, Emma [Department of Physics University of California, Berkeley Berkeley CA 94720 USA] (ORCID:000000030993534X)","Aluru, Narayana R. [Walker Department of Mechanical Engineering University of Texas Austin TX 78712 USA, Oden Institute for Computational Engineering and Sciences University of Texas at Austin Austin TX 78712 USA] (ORCID:0000000296227837)","Sinitskii, Alexander [Department of Chemistry University of Nebraska Lincoln NE 68588 USA, Nebraska Center for Materials and Nanoscience University of Nebraska‐Lincoln Lincoln NE 68588 USA] (ORCID:0000000286883451)","Crommie, Michael F. [Department of Physics University of California, Berkeley Berkeley CA 94720 USA, Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA, Kavli Energy NanoSciences Institute at the University of California Berkeley and the Lawrence Berkeley National Laboratory Berkeley CA 94720 USA] (ORCID:0000000182463444)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1613-6810","other_identifiers":["Journal ID: ISSN 1613-6810; 2400473"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315059"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315059"}]}, {"osti_id":"2294150","title":"High performance alkyl dialkoxyalkanoate bioderived transportation fuels accessed using a mild and scalable synthetic protocol","report_number":"SAND-2024-01255J","doi":"10.1039/D3SE00804E","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Sustainable Energy & Fuels Journal Volume: 8 Journal Issue: 5","description":"Replacement of conventional petroleum fuels with renewable fuels reduces net emissions of carbon and greenhouse gases, and affords opportunities for increased domestic energy security. Here, we present alkyl dialkoxyalkanoates (or DAOAs) as a family of synthetic diesel and marine fuel candidates that feature ester and ether functionality. These compounds employ pyruvic acid and fusel alcohols as precursors, which are widely available as metabolic intermediates at high titer and yield. DAOA synthesis proceeds in high yield using a simple, mild chemical transformation performed under air that employs bioderived and/or easily recovered reagents and solvent. The scalability of the synthetic protocol was proven in continuous flow with in situ azeotropic water removal, yielding 375 g of isolated product. Chemical stability of DAOAs against aqueous 0.01 M H<sub>2<\/sub>SO<sub>4<\/sub> and accelerated oxidative conditions is demonstrated. The isolated DAOAs were shown to meet or exceed widely accepted technical criteria for sustainable diesel fuels. In particular, butyl 2,2-dibutoxypropanoate (DAOA-2) has indicated cetane number 64, yield soot index 256 YSI per kg, lower heating value 30.9 MJ kg<sup>–1<\/sup> and cloud point < –60 °C and compares favorably to corresponding values for renewable diesel, biodiesel and petroleum diesel.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Sustainable Energy & Fuels","journal_issue":"5","journal_volume":"8","format":"Medium: X; Size: p. 1085-1093","authors":["Myllenbeck, Nicholas R. [Materials Chemistry Department, Sandia National Laboratories, Livermore, CA 94551, USA] (ORCID:0000000334927501)","Monroe, Eric [Bioresource and Environmental Security Department, Sandia National Laboratories, Livermore, CA 94551, USA]","Sarwar, Mysha [Bioresource and Environmental Security Department, Sandia National Laboratories, Livermore, CA 94551, USA]","Alleman, Teresa [National Renewable Energy Laboratory, Golden, CO 80401, USA]","Hays, Cameron [National Renewable Energy Laboratory, Golden, CO 80401, USA]","Luecke, Jon [National Renewable Energy Laboratory, Golden, CO 80401, USA]","Zhu, Junqing [Department of Chemical and Environmental Engineering, Yale University, New Haven, CT 06511, USA]","McEnally, Charles [Department of Chemical and Environmental Engineering, Yale University, New Haven, CT 06511, USA] (ORCID:000000026820921X)","Pfefferle, Lisa [Department of Chemical and Environmental Engineering, Yale University, New Haven, CT 06511, USA]","George, Anthe [Bioresource and Environmental Security Department, Sandia National Laboratories, Livermore, CA 94551, USA]","Davis, Ryan W. [Bioresource and Environmental Security Department, Sandia National Laboratories, Livermore, CA 94551, USA] (ORCID:0000000280040349)"],"subjects":["10 SYNTHETIC FUELS"],"article_type":"Published Article","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Bioenergy Technologies Office (BETO)"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Bioenergy Technologies Office (BETO)","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-CA), Livermore, CA (United States)"}],"research_orgs":["Sandia National Lab. (SNL-CA), Livermore, CA (United States)"],"journal_issn":"ISSN 2398-4902","other_identifiers":["Journal ID: ISSN 2398-4902; SEFUA7"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294150"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294150"}]}, {"osti_id":"2315063","title":"Fluorination Effect on Lithium- and Manganese-Rich Layered Oxide Cathodes","report_number":"PNNL-SA-195217","doi":"10.1021/acsenergylett.3c02697","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Energy Letters Journal Volume: 9 Journal Issue: 3","description":"Lithium- and manganese-rich (LMR) layered oxides are promising high-energy cathodes for next-generation lithium-ion batteries, yet their commercialization has been hindered by a number of performance issues. While fluorination has been explored as a mitigating approach, results from polycrystalline- particle-based studies are inconsistent and the mechanism for improvement in some reports remains unclear. In the present study, we develop an in situ fluorination method that leads to fluorinated LMR with no apparent impurities. Using well-defined single-crystal Li<sub>1.2<\/sub>Ni<sub>0.2<\/sub>Mn<sub>0.6<\/sub>O<sub>2<\/sub> (LNMO) as a platform, we show that a high fluorination level leads to decreased oxygen activities, reduced side reactions at high voltages, and a broadly improved cathode performance. Detailed characterization reveals a particle-level Mn<sup>3+<\/sup> concentration gradient from the surface to the bulk of fluorinated-LNMO crystals, ascribed to the formation of a Nirich Li<sub>z<\/sub>Ni<sub>x<\/sub>Mn<sub>2–x<\/sub>O<sub>4–y<\/sub>F<sub>y<\/sub> (x > 0.5) spinel phase on the surface and a “spinel-layered” coherent structure in the bulk where domains of a LiNi<sub>0.5<\/sub>Mn<sub>1.5<\/sub>O<sub>4<\/sub> high-voltage spinel phase are integrated into the native layered framework. This work provides fundamental understanding of the fluorination effect on LMR and key insights for future development of high-energy Mn-based cathodes with an intergrown/composite crystal structure.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Energy Letters","journal_issue":"3","journal_volume":"9","format":"Medium: X; Size: p. 1249-1260","authors":["Wang, Faxing [Energy Storage and Distributed Resources Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States]","Zuo, Peng [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99354, United States] (ORCID:0000000315243200)","Xue, Zhichen [Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States]","Liu, Yijin [Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States]","Wang, Chongmin [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99354, United States] (ORCID:0000000333270958)","Chen, Guoying [Energy Storage and Distributed Resources Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000232182609)"],"subjects":["Crystal structure","Electrodes","Halogenation","Spinel","Transition metals","crystal structure","electrodes","halogenation","spinel","transition metals"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231; AC05-76RL01830; AC02-76SF00515","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Biological and Environmental Research (BER)","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"},{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)","Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2380-8195","other_identifiers":["Journal ID: ISSN 2380-8195"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315063"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315063"}]}, {"osti_id":"2284023","title":"Rapid screening of molecular beam epitaxy conditions for monoclinic (In\n <sub>\n <i>x<\/i>\n <\/sub>\n Ga\n <sub>\n 1−\n <i>x<\/i>\n <\/sub>\n )\n <sub>2<\/sub>\n O\n <sub>3<\/sub>\n alloys","report_number":"NREL/JA-5K00-88113","doi":"10.1039/D3TA07220G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 9","description":"Molecular beam epitaxy is one of the highest quality growth methods, capable of achieving theoretical material property limits and unprecedented device performance. However, such ultimate quality usually comes at the cost of painstaking optimization of synthesis conditions and slow experimental iteration rates. Here we report on high-throughput molecular beam epitaxy with rapid screening of synthesis conditions using a novel cyclical growth and in situ etch method. This novel approach leverages sub-oxide desorption present during molecular beam epitaxy and as such should be broadly applicable to other material systems. As a proof of concept, this method is applied to rapidly investigate the growth space for the ternary alloy (In<sub>x<\/sub>Ga<sub>1-x<\/sub>)<sub>2<\/sub>O<sub>3<\/sub> on (010) oriented β-Ga<sub>2<\/sub>O<sub>3<\/sub> substrates using in situ reflection high energy electron diffraction measurements. Two distinct growth regimes are identified and analyzed using machine learning image recognition algorithms, the first stabilizing a streaky 2× surface reconstruction typical of In-catalyzed β-Ga<sub>2<\/sub>O<sub>3<\/sub> growth, and the second exhibiting a spotty/faceted pattern typical of phase separation. Targeted growth of (In<sub>x<\/sub>Ga<sub>1-x<\/sub>)<sub>2<\/sub>O<sub>3<\/sub> is performed under conditions near the boundary of the two regimes resulting in a 980 nm thick epitaxial layer with In mole fraction up to 5.6%. The cyclical growth/etch method retains the ~1 nm surface roughness of the single crystal substrate, increases experimental throughput approximately 6×, and improves single crystal substrate utilization by >40×. The high-throughput MBE method enables rapid discovery of growth regimes for ultra-wide bandgap oxide alloys for power conversion devices operating with high efficiency at high voltages and temperatures, as well as optical devices such as ultraviolet photodetectors.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"9","journal_volume":"12","format":"Medium: X; Size: p. 5508-5519","authors":["Schaefer, Stephen [National Renewable Energy Laboratory, Golden, CO, USA] (ORCID:0000000320783244)","Febba, Davi [National Renewable Energy Laboratory, Golden, CO, USA]","Egbo, Kingsley [National Renewable Energy Laboratory, Golden, CO, USA]","Teeter, Glenn [National Renewable Energy Laboratory, Golden, CO, USA]","Zakutayev, Andriy [National Renewable Energy Laboratory, Golden, CO, USA] (ORCID:0000000230545525)","Tellekamp, Brooks [National Renewable Energy Laboratory, Golden, CO, USA] (ORCID:0000000335351831)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","36 MATERIALS SCIENCE","alloy","gallium oxide","high throughput","machine learning","molecular beam epitaxy","quaternary","RHEED","ultra-wide bandgap"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Materials & Manufacturing Technologies Office (AMMTO)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Materials & Manufacturing Technologies Office (AMMTO)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284023"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284023"}]}, {"osti_id":"2315054","title":"Gluon helicity from global analysis of experimental data and lattice QCD Ioffe time distributions","report_number":"JLAB-THY-23-3950; DOE/OR/23177-7250","doi":"10.1103/PhysRevD.109.036031","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D. Journal Volume: 109 Journal Issue: 3","description":"We perform a new global analysis of spin-dependent parton distribution functions with the inclusion of Ioffe time pseudo-distributions computed in lattice QCD (LQCD), which are directly sensitive to the gluon helicity distribution, Δg. These lattice data have an analogous relationship to parton distributions as do experimental cross sections, and can be readily included in global analyses. We focus in particular on the constraining capability of current LQCD data on the sign of Δg at intermediate parton momentum fractions x, which was recently brought into question by analysis of data in the absence of parton positivity constraints. We find that present LQCD data cannot discriminate between positive and negative Δg solutions, although significant changes in the solutions for both the gluon and quark sectors are observed.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. D.","journal_issue":"3","journal_volume":"109","format":"Medium: X","authors":["Karpie, J. (ORCID:0000000189999014)","Whitehill, R. M. (ORCID:0000000150072473)","Melnitchouk, W. (ORCID:0000000295215973)","Monahan, C. (ORCID:0000000151423490)","Orginos, K.","Qiu, J. -W. (ORCID:0000000273063307)","Richards, D. G.","Sato, N.","Zafeiropoulos, S. (ORCID:0000000301574770)","Jefferson Lab Angular Momentum and HadStruc Collaborations"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS"],"article_type":"Published Article","contributing_org":"Jefferson Lab Angular Momentum and HadStruc Collaborations","doe_contract_number":"SC0023047; FG02-04ER41302; SC0023646; AC02-05CH11231; AC05-00OR22725; AC05-06OR23177; PHY-1626177; ACI-1548562; ACI-1445606","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"}],"research_orgs":["Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; PRVDAQ; 036031"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315054"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315054"}]}, {"osti_id":"2323310","title":"Rapid cooling of the in-plane motion of two-dimensional ion crystals in a Penning trap to millikelvin temperatures","doi":"10.1103/physreva.109.l021102","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review A; Journal Volume: 109; Journal Issue: 2","description":"Here, we propose a highly feasible technique with no experimental overhead to rapidly cool the in-plane degrees of freedom of large two-dimensional ion crystals in Penning traps. Through simulations, we demonstrate that our approach enables the in-plane modes to cool down to a temperature of around 1 mK in less than 10 ms. Our technique relies on near-resonant coupling of the poorly cooled in-plane motions and the efficiently cooled out-of-plane motions, and is achieved without introducing additional potentials. The rapid cooling enabled by our approach is in contrast to typical operating conditions, where our simulations of the laser cooling dynamics suggest that the ion crystal\'s in-plane motion cools very slowly on a timescale of several hundreds of milliseconds, a rate likely slower than experimental heating rates. Our work sets the stage for sub-Doppler laser cooling of the planar motion, and more robust and versatile quantum simulation and quantum sensing experiments with two-dimensional crystals in Penning traps.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review A","journal_issue":"2","journal_volume":"109","format":"Medium: ED; Size: Article No. L021102","authors":["Johnson, Wes [Univ. of Colorado, Boulder, CO (United States)] (ORCID:000900016313508X)","Shankar, Athreya [Indian Institute of Science, Bangalore (India)] (ORCID:000000033822976X)","Zaris, John [Univ. of Colorado, Boulder, CO (United States)] (ORCID:0009000196476323)","Bollinger, John J. [National Inst. of Standards and Technology (NIST), Boulder, CO (United States)] (ORCID:0000000191177896)","Parker, Scott E. [Univ. of Colorado, Boulder, CO (United States)]"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS","Plasma crystals","Trapped ions","Molecular dynamics","Penning traps"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0020393","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"}],"sponsor_orgs":["USDOE Office of Science (SC)"],"orgs_research":[{"name":"Univ. of Colorado, Boulder, CO (United States)"}],"research_orgs":["Univ. of Colorado, Boulder, CO (United States)"],"journal_issn":"ISSN 2469-9926","other_identifiers":["Journal ID: ISSN 2469-9926"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323310"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323310"}]}, {"osti_id":"1988001","title":"Stochastic representation and conditioning of process-based geological model by deep generative and recognition networks","report_number":"LLNL-JRNL-826205","doi":"10.1144/petgeo2022-032","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Petroleum Geoscience; Journal Volume: 30; Journal Issue: 1","description":"Accurate and realistic geological modeling is the core of oil and gas development and production. In recent years, process-based methods are developed to produce highly realistic geological models by simulating the physical processes that reproduce the sedimentary events and develop the geometry. However, the complex dynamic processes are extremely expensive to simulate, making process-based models difficult to be conditioned to field data. In this work, we propose a comprehensive generative adversarial network framework as a machine-learning-assisted approach for mimicking the outputs of process-based geological models with fast generation. The main objective of our work is to obtain a continuous parametrization of the highly realistic process-based geological models which enables us to calibrate the models and condition the models to data. Numerical results are presented to illustrate the capability of our proposed methodology.","availability":"External Audience (Unlimited)","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"The Geological Society of London - EAGE","journal_name":"Petroleum Geoscience","journal_issue":"1","journal_volume":"30","format":"Medium: ED; Size: 24 p.","authors":["Cheung, S. W. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States). Center for Applied Scientific Computing] (ORCID:0000000285038395)","Kushwaha, A. [SambaNova Systems, Palo Alto, CA (United States)]","Sun, H. [ExxonMobil Upstream Research Company, Spring, TX (United States)]","Wu, X. -H. [ExxonMobil Upstream Research Company, Spring, TX (United States)]"],"subjects":["58 GEOSCIENCES","97 MATHEMATICS AND COMPUTING"],"article_type":"Accepted Manuscript","doe_contract_number":"AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 1354-0793","other_identifiers":["Journal ID: ISSN 1354-0793; ISSN 2041-496X; 1040744"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/1988001"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/1988001"}]}, {"osti_id":"2311917","title":"Improved Accuracy for Trotter Simulations Using Chebyshev Interpolation","doi":"10.22331/q-2024-02-26-1266","product_type":"Journal Article","language":"English","country_publication":"Austria","relation":"Journal Name: Quantum Journal Volume: 8","description":"<p>Quantum metrology allows for measuring properties of a quantum system at the optimal Heisenberg limit. However, when the relevant quantum states are prepared using digital Hamiltonian simulation, the accrued algorithmic errors will cause deviations from this fundamental limit. In this work, we show how algorithmic errors due to Trotterized time evolution can be mitigated through the use of standard polynomial interpolation techniques. Our approach is to extrapolate to zero Trotter step size, akin to zero-noise extrapolation techniques for mitigating hardware errors. We perform a rigorous error analysis of the interpolation approach for estimating eigenvalues and time-evolved expectation values, and show that the Heisenberg limit is achieved up to polylogarithmic factors in the error. Our work suggests that accuracies approaching those of state-of-the-art simulation algorithms may be achieved using Trotter and classical resources alone for a number of relevant algorithmic tasks.<\/p>","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Verein zur Forderung des Open Access Publizierens in den Quantenwissenschaften","journal_name":"Quantum","journal_volume":"8","format":"Medium: X; Size: Article No. 1266","authors":["Rendon, Gumaro [Zapata Computing Inc., Boston, MA 02110, USA]","Watkins, Jacob [Facility for Rare Isotope Beams, Michigan State University, East Lansing, MI 48824, USA]","Wiebe, Nathan [Department of Computer Science, University of Toronto, Toronto, ON M5S 2E4, Canada, Pacific Northwest National Laboratory, Richland, WA 99352, USA]"],"article_type":"Published Article","doe_contract_number":"SC0023658; SC0012704; NPP PD 19-025; 21-043","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2521-327X","other_identifiers":["Journal ID: ISSN 2521-327X; 1266"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311917"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311917"}]}, {"osti_id":"2311835","title":"Neutrino fast flavor oscillations with moments: Linear stability analysis and application to neutron star mergers","report_number":"N3AS-23-032","doi":"10.1103/physrevd.109.043046","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D.; Journal Volume: 109; Journal Issue: 4","description":"Providing an accurate modeling of neutrino physics in dense astrophysical environments such as binary neutron star mergers presents a challenge for hydrodynamic simulations. Nevertheless, understanding how flavor transformation can occur and affect the dynamics, the mass ejection, and the nucleosynthesis will need to be achieved in the future. Computationally expensive, large-scale simulations frequently evolve the first classical angular moments of the neutrino distributions. By promoting these quantities to matrices in flavor space, we develop a linear stability analysis of fast flavor oscillations using only the first two “quantum” moments, which notably requires generalizing the classical closure relations that appropriately truncate the hierarchy of moment equations in order to treat quantum flavor coherence. After showing the efficiency of this method on a well-understood test situation, we perform a systematic search of the occurrence of fast flavor instabilities in a neutron star merger simulation. Here, we discuss the successes and shortcomings of moment linear stability analysis, as this framework provides a time-efficient way to design and study better closure prescriptions in the future.","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. D.","journal_issue":"4","journal_volume":"109","format":"Medium: ED; Size: Article No. 043046","authors":["Froustey, Julien [North Carolina State University, Raleigh, NC (United States); University of California Berkeley, CA (United States)] (ORCID:0000000264668232)","Richers, Sherwood [University of Tennessee Knoxville, TN (United States)] (ORCID:0000000150316829)","Grohs, Evan [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000294093468)","Flynn, Samuel D. [North Carolina State University, Raleigh, NC (United States)]","Foucart, Francois [University of New Hampshire, Durham, NH (United States)] (ORCID:0000000346174738)","Kneller, James P. [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000235023830)","McLaughlin, Gail C. [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000168116657)"],"subjects":["79 ASTRONOMY AND ASTROPHYSICS","Neutrino physics","Flavor oscillations","Neutron star mergers","Neutrino oscillations","Quantum kinetic theory","Neutrinos","Neutron stars & pulsars"],"article_type":"Accepted Manuscript","doe_contract_number":"FG02-02ER41216; PHY-2020275; SC00268442; AC02-05CH11231; 80NSSC22K0719; AST-2107932","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"National Science Foundation (NSF)"},{"name":"National Aeronautics and Space Administration (NASA)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","National Science Foundation (NSF)","National Aeronautics and Space Administration (NASA)"],"orgs_research":[{"name":"North Carolina State University, Raleigh, NC (United States)"},{"name":"Univ. of New Hampshire, Durham, NH (United States)"}],"research_orgs":["North Carolina State University, Raleigh, NC (United States)","Univ. of New Hampshire, Durham, NH (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311835"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311835"}]}, {"osti_id":"2315733","title":"The Thermophysical Properties of TcO2","doi":"10.3390/cryst14030228","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Crystals Journal Volume: 14 Journal Issue: 3","description":"<p>Technetium-99 is a highly radioactive isotope with a long half-life that is common in nuclear waste. It volatizes at a low temperature, which poses a significant challenge to the clean-up and containment processes. Due to difficulties in purifying technetium compounds, their thermophysical properties have not been measured or calculated. Here, first principle methods are used along with the quasi quasi-harmonic harmonic approximation to compute the Debye temperature, volumetric thermal expansion coefficient, bulk modulus, and heat capacity of rutile TcO2 for temperatures ranging from 0 to 1500 K and applied pressures ranging from 0 to 255 GPa. The computed atomic structures agree well with the results from diffraction measurements. The computed thermophysical properties are in the neighborhood of other rutile metal oxides and, in particular, are within approximately 10–13% of rutile ReO2, which is frequently used as a substitute for TcO2 in experimental studies.<\/p>","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"MDPI AG","journal_name":"Crystals","journal_issue":"3","journal_volume":"14","format":"Medium: X; Size: Article No. 228","authors":["Zhong, Hong","Lonergan, Jason","McCloy, John S. (ORCID:0000000174767771)","Beckman, Scott P. (ORCID:0000000281566684)"],"article_type":"Published Article","doe_contract_number":"NE0008597","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2073-4352","other_identifiers":["Journal ID: ISSN 2073-4352; CRYSBC; PII: cryst14030228"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315733"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315733"}]}, {"osti_id":"2315047","title":"A global database of dissolved organic matter (DOM) concentration measurements in coastal waters (CoastDOM v1)","doi":"10.5194/essd-16-1107-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Earth System Science Data (Online) Journal Volume: 16 Journal Issue: 2","description":"<p>Abstract. Measurements of dissolved organic carbon (DOC), nitrogen (DON), and phosphorus (DOP) concentrations are used to characterize the dissolved organic matter (DOM) pool and are important components of biogeochemical cycling in the coastal ocean. Here, we present the first edition of a global database (CoastDOM v1; available at https://doi.org/10.1594/PANGAEA.964012, Lønborg et al., 2023) compiling previously published and unpublished measurements of DOC, DON, and DOP in coastal waters. These data are complemented by hydrographic data such as temperature and salinity and, to the extent possible, other biogeochemical variables (e.g. chlorophyll a, inorganic nutrients) and the inorganic carbon system (e.g. dissolved inorganic carbon and total alkalinity). Overall, CoastDOM v1 includes observations of concentrations from all continents. However, most data were collected in the Northern Hemisphere, with a clear gap in DOM measurements from the Southern Hemisphere. The data included were collected from 1978 to 2022 and consist of 62 338 data points for DOC, 20 356 for DON, and 13 533 for DOP. The number of measurements decreases progressively in the sequence DOC > DON > DOP, reflecting both differences in the maturity of the analytical methods and the greater focus on carbon cycling by the aquatic science community. The global database shows that the average DOC concentration in coastal waters (average ± standard deviation (SD): 182±314 µmol C L−1; median: 103 µmol C L−1) is 13-fold higher than the average coastal DON concentration (13.6±30.4 µmol N L−1; median: 8.0 µmol N L−1), which is itself 39-fold higher than the average coastal DOP concentration (0.34±1.11 µmol P L−1; median: 0.18 µmol P L−1). This dataset will be useful for identifying global spatial and temporal patterns in DOM and will help facilitate the reuse of DOC, DON, and DOP data in studies aimed at better characterizing local biogeochemical processes; closing nutrient budgets; estimating carbon, nitrogen, and phosphorous pools; and establishing a baseline for modelling future changes in coastal waters.<\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Earth System Science Data (Online)","journal_issue":"2","journal_volume":"16","format":"Medium: X; Size: p. 1107-1119","authors":["Lønborg, Christian (ORCID:0000000183800238)","Carreira, Cátia","Abril, Gwenaël","Agustí, Susana (ORCID:0000000305367293)","Amaral, Valentina (ORCID:0000000210881484)","Andersson, Agneta","Arístegui, Javier","Bhadury, Punyasloke","Bif, Mariana B.","Borges, Alberto V. (ORCID:0000000254342247)","Bouillon, Steven (ORCID:0000000176692929)","Calleja, Maria Ll. (ORCID:0000000259922013)","Cotovicz Jr., Luiz C. (ORCID:0000000239148155)","Cozzi, Stefano (ORCID:000000030116742X)","Doval, Maryló","Duarte, Carlos M.","Eyre, Bradley","Fichot, Cédric G.","García-Martín, E. Elena (ORCID:0000000348073287)","Garzon-Garcia, Alexandra","Giani, Michele (ORCID:0000000233067725)","Gonçalves-Araujo, Rafael (ORCID:0000000183448326)","Gruber, Renee (ORCID:0000000287886910)","Hansell, Dennis A. (ORCID:0000000192753445)","Hashihama, Fuminori (ORCID:0000000338357681)","He, Ding (ORCID:0000000196206115)","Holding, Johnna M.","Hunter, William R. (ORCID:0000000188017947)","Ibánhez, J. Severino P. (ORCID:0000000160933054)","Ibello, Valeria","Jiang, Shan","Kim, Guebuem (ORCID:0000000251190241)","Klun, Katja","Kowalczuk, Piotr","Kubo, Atsushi","Lee, Choon-Weng","Lopes, Cláudia B. (ORCID:0000000173788677)","Maggioni, Federica (ORCID:0000000271094257)","Magni, Paolo (ORCID:0000000159556829)","Marrase, Celia","Martin, Patrick (ORCID:0000000180085558)","McCallister, S. Leigh (ORCID:0000000290419512)","McCallum, Roisin","Medeiros, Patricia M. (ORCID:0000000168182603)","Morán, Xosé Anxelu G. (ORCID:0000000298235339)","Muller-Karger, Frank E. (ORCID:0000000331595011)","Myers-Pigg, Allison","Norli, Marit","Oakes, Joanne M.","Osterholz, Helena (ORCID:0000000228589799)","Park, Hyekyung (ORCID:0000000247435883)","Lund Paulsen, Maria","Rosentreter, Judith A.","Ross, Jeff D.","Rueda-Roa, Digna","Santinelli, Chiara (ORCID:000000028921275X)","Shen, Yuan (ORCID:0000000166184226)","Teira, Eva","Tinta, Tinkara (ORCID:0000000167408973)","Uher, Guenther (ORCID:0000000151054445)","Wakita, Masahide (ORCID:0000000233330546)","Ward, Nicholas (ORCID:0000000161745581)","Watanabe, Kenta (ORCID:0000000201063623)","Xin, Yu","Yamashita, Youhei (ORCID:0000000294158743)","Yang, Liyang","Yeo, Jacob","Yuan, Huamao","Zheng, Qiang","Álvarez-Salgado, Xosé Antón (ORCID:0000000223879201)"],"article_type":"Published Article","doe_contract_number":"COMPASS-FME","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1866-3516","other_identifiers":["Journal ID: ISSN 1866-3516"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315047"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315047"}]}, {"osti_id":"2311902","title":"Improved algorithm for dynamical triangulations and simulations of finer lattices","report_number":"FERMILAB-PUB-23-558-T; arXiv:2309.12257","doi":"10.1103/PhysRevD.109.034518","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D. Journal Volume: 109 Journal Issue: 3","description":"We introduce a new algorithm for the simulation of Euclidean dynamical triangulations that mimics the Metropolis-Hastings algorithm, but where all proposed moves are accepted. This rejection-free algorithm allows for the factorization of local and global terms in the action, a condition needed for efficient simulation of theories with global terms, while still maintaining detailed balance. We test our algorithm on the 2d Ising model, and against results for EDT obtained with standard Metropolis. Our new algorithm allows us to simulate EDT at finer lattice spacings than previously possible, and we find geometries that resemble semiclassical Euclidean de Sitter space in agreement with earlier results at coarser lattices. The agreement between lattice data and the classical de Sitter solution continues to get better as the lattice spacing decreases.","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. D.","journal_issue":"3","journal_volume":"109","format":"Medium: X","authors":["Dai, Mingwei (ORCID:0000000314522136)","Freeman, Walter","Laiho, Jack","Schiffer, Marc (ORCID:0000000207784800)","Unmuth-Yockey, Judah"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","quantum gravity","lattice field theory"],"article_type":"Published Article","doe_contract_number":"SC0019139; AC02-07CH11359; SC0009998","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; PRVDAQ; 034518"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311902"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311902"}]}, {"osti_id":"2315722","title":"Response of the Current Climate to Land‐Ocean Contrasts in Parameterized Cumulus Entrainment","doi":"10.1029/2023MS003691","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Advances in Modeling Earth Systems Journal Volume: 16 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n Cumulus entrainment substantially regulates the earth\'s climate but remains poorly constrained in global climate models. Recent studies have shown that cumulus bulk entrainment (or dilution) is particularly sensitive to continentality, with the entrainment rate in simulated maritime cumuli nearly double that of continental cumuli. This study examines the impacts of such land–ocean entrainment contrasts on the current climate using 21‐year simulations with the Geophysical Fluid Dynamics Laboratory\'s High‐Resolution Atmospheric Model (HIRAM). In response to a 25% reduction in the HIRAM entrainment parameter\n <italic>c<\/italic>\n <sub>0<\/sub>\n over land, precipitation over tropical land regions increases by up to 40%. Along with directly facilitating enhanced convective precipitation, this\n <italic>c<\/italic>\n <sub>0<\/sub>\n reduction induces an increase in soil moisture, which may contribute to a further enhancement of convective precipitation over land. A 25%\n <italic>c<\/italic>\n <sub>0<\/sub>\n reduction over the oceans leads to more widespread modifications of convection patterns, with the strongest signal in the tropical Pacific. Deep convection shifts upstream (eastward) there, inducing enhanced large‐scale ascent over the central Pacific with compensating subsidence and reduced humidity and precipitation over the western Pacific (WP). Land–ocean variations in\n <italic>c<\/italic>\n <sub>0<\/sub>\n project onto the Pacific Walker circulation, with the 25% land reduction strengthening it by 4% and the 25% ocean reduction weakening it by 14%. These changes are driven by variations in convective and large‐scale stratiform heating over the Pacific. While reduced\n <italic>c<\/italic>\n <sub>0<\/sub>\n over land enhances diabatic heating in the Maritime Continent to strengthen the Walker circulation, reduced\n <italic>c<\/italic>\n <sub>0<\/sub>\n over the oceans decreases diabatic heating in the WP to weaken the Walker circulation.\n <\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Advances in Modeling Earth Systems","journal_issue":"3","journal_volume":"16","format":"Medium: X","authors":["Meera, M. [Department of Atmospheric and Oceanic Sciences McGill University Montréal QC Canada \x3C!--Query ID=\"q1\" Text=\"AUTHOR: Please check and confirm that author names and their affiliations are correct.\"--\>]","Merlis, T. M. [Program in Atmospheric and Oceanic Sciences Princeton University Princeton NJ USA]","Kirshbaum, D. J. [Department of Atmospheric and Oceanic Sciences McGill University Montréal QC Canada \x3C!--Query ID=\"q1\" Text=\"AUTHOR: Please check and confirm that author names and their affiliations are correct.\"--\>] (ORCID:0000000187483700)"],"subjects":["54 ENVIRONMENTAL SCIENCES","entrainment","convection","climate"],"article_type":"Published Article","doe_contract_number":"DE‐SC0020083; SC0020083","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1942-2466","other_identifiers":["Journal ID: ISSN 1942-2466; e2023MS003691"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315722"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315722"}]}, {"osti_id":"2319079","title":"Synthesis of Alkoxy-TEMPO Aminoxyl Radicals and Electrochemical Characterization in Acetonitrile for Energy Storage Applications","doi":"10.1149/1945-7111/ad30d2","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society","description":"<title>Abstract<\/title>\n <p>In this paper, we describe the synthesis and characterization of alkoxylated TEMPO, (2,2,6,6-tetramethylpiperidin-1-yl)oxyl, radicals with potential application in organic non-aqueous redox flow batteries. The behavior of a series of TEMPO derivatives with varying lengths of alkoxy chain is analyzed in acetonitrile solutions using electrochemistry techniques, electron paramagnetic resonance (EPR) spectroscopy, and measurements of permeability through three different membranes. Electrochemical redox potentials are only weakly dependent on the substituent, but, in contrast, exchange current densities derived from the data do depend on the substitution. EPR lends further insight into these properties via the determination of hyperfine splitting constant and rotational correlation time. There is a negligible effect of the substituents on those parameters among the modified TEMPO radicals. Finally, permeation rates of modified TEMPO derivatives through membranes depend significantly on both the membrane and the substitution of TEMPO, providing insights into capacity fade measurements in the literature.<\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"Journal of the Electrochemical Society","format":"Medium: X","authors":["Escamilla, Maria","Zuleta Suarez, Ernesto Camilo (ORCID:0000000302327528)","Davis, Hannah K.","Johnson, Jacob","Imel, Adam","Barth, Brian Andrew (ORCID:0000000238876054)","Zawodzinski, Thomas","Pentzer, Emily"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319079"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319079"}]}, {"osti_id":"2311910","title":"Cell‐type‐specific transcriptomics uncovers spatial regulatory networks in bioenergy sorghum stems","doi":"10.1111/tpj.16690","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: The Plant Journal","description":"<title>SUMMARY<\/title>\n <p>\n Bioenergy sorghum is a low‐input, drought‐resilient, deep‐rooting annual crop that has high biomass yield potential enabling the sustainable production of biofuels, biopower, and bioproducts. Bioenergy sorghum\'s 4–5 m stems account for ~80% of the harvested biomass. Stems accumulate high levels of sucrose that could be used to synthesize bioethanol and useful biopolymers if information about cell‐type gene expression and regulation in stems was available to enable engineering. To obtain this information, laser capture microdissection was used to isolate and collect transcriptome profiles from five major cell types that are present in stems of the sweet sorghum Wray. Transcriptome analysis identified genes with cell‐type‐specific and cell‐preferred expression patterns that reflect the distinct metabolic, transport, and regulatory functions of each cell type. Analysis of cell‐type‐specific gene regulatory networks (GRNs) revealed that unique transcription factor families contribute to distinct regulatory landscapes, where regulation is organized through various modes and identifiable network motifs. Cell‐specific transcriptome data was combined with known secondary cell wall (SCW) networks to identify the GRNs that differentially activate SCW formation in vascular sclerenchyma and epidermal cells. The spatial transcriptomic dataset provides a valuable source of information about the function of different sorghum cell types and GRNs that will enable the engineering of bioenergy sorghum stems, and an interactive web application developed during this project will allow easy access and exploration of the data (\n <ext-link href=\'https://mc-lab.shinyapps.io/lcm-dataset/\'>https://mc‐lab.shinyapps.io/lcm‐dataset/<\/ext-link>\n ).\n <\/p>","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"The Plant Journal","format":"Medium: X","authors":["Fu, Jie [Department of Plant Biology University of Illinois Urbana‐Champaign Urbana Illinois 61801 USA, DOE Center for Advanced Bioenergy and Bioproducts Innovation Urbana Illinois 61801 USA] (ORCID:000000016250515X)","McKinley, Brian [Department of Biochemistry and Biophysics Texas A&,M University College Station Texas 77843 USA, DOE Great Lakes Bioenergy Resource Center Madison Wisconsin 53726 USA]","James, Brandon [DOE Center for Advanced Bioenergy and Bioproducts Innovation Urbana Illinois 61801 USA, HudsonAlpha Institute for Biotechnology Huntsville Alabama 35806 USA]","Chrisler, William [Pacific Northwest National Laboratory Richland Washington 99354 USA]","Markillie, Lye Meng [Pacific Northwest National Laboratory Richland Washington 99354 USA]","Gaffrey, Matthew J. [Pacific Northwest National Laboratory Richland Washington 99354 USA]","Mitchell, Hugh D. [Pacific Northwest National Laboratory Richland Washington 99354 USA]","Riaz, Muhammad Rizwan [Department of Plant Biology University of Illinois Urbana‐Champaign Urbana Illinois 61801 USA]","Marcial, Brenda [DOE Center for Advanced Bioenergy and Bioproducts Innovation Urbana Illinois 61801 USA, HudsonAlpha Institute for Biotechnology Huntsville Alabama 35806 USA]","Orr, Galya [Pacific Northwest National Laboratory Richland Washington 99354 USA]","Swaminathan, Kankshita [DOE Center for Advanced Bioenergy and Bioproducts Innovation Urbana Illinois 61801 USA, HudsonAlpha Institute for Biotechnology Huntsville Alabama 35806 USA]","Mullet, John [Department of Biochemistry and Biophysics Texas A&,M University College Station Texas 77843 USA, DOE Great Lakes Bioenergy Resource Center Madison Wisconsin 53726 USA]","Marshall‐Colon, Amy [Department of Plant Biology University of Illinois Urbana‐Champaign Urbana Illinois 61801 USA, DOE Center for Advanced Bioenergy and Bioproducts Innovation Urbana Illinois 61801 USA] (ORCID:0000000167524982)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0960-7412","other_identifiers":["Journal ID: ISSN 0960-7412; tpj.16690"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311910"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311910"}]}, {"osti_id":"2311937","title":"In Situ Insights into Cathode Calcination for Predictive Synthesis: Kinetic Crystallization of LiNiO\n <sub>2<\/sub>\n from Hydroxides","doi":"10.1002/adma.202312027","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Materials","description":"<title>Abstract<\/title>\n <p>\n Calcination is a solid‐state synthesis process widely deployed in battery cathode manufacturing. However, its inherent complexity associated with elusive intermediates hinders the predictive synthesis of high‐performance cathode materials. Here, correlative in situ X‐ray absorption/scattering spectroscopy is used to investigate the calcination of nickel‐based cathodes, focusing specifically on the archetypal LiNiO\n <sub>2<\/sub>\n from Ni(OH)\n <sub>2<\/sub>\n . Combining in situ observation with data‐driven analysis reveals concurrent lithiation and dehydration of Ni(OH)\n <sub>2<\/sub>\n and consequently, the low‐temperature crystallization of layered LiNiO\n <sub>2<\/sub>\n alongside lithiated rocksalts. Following early nucleation, LiNiO\n <sub>2<\/sub>\n undergoes sluggish crystallization and structural ordering while depleting rocksalts; ultimately, it turns into a structurally‐ordered layered phase upon full lithiation but remains small in size. Subsequent high‐temperature sintering induces rapid crystal growth, accompanied by undesired delithiation and structural degradation. These observations are further corroborated by mesoscale modeling, emphasizing that, even though calcination is thermally driven and favors transformation towards thermodynamically equilibrium phases, the actual phase propagation and crystallization can be kinetically tuned via lithiation, providing freedom for structural and morphological control during cathode calcination.\n <\/p>","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Materials","format":"Medium: X","authors":["Tayal, Akhil [National Synchrotron Light Source II Brookhaven National Laboratory Upton NY 11973 USA] (ORCID:0000000181524209)","Barai, Pallab [Argonne National Laboratory Lemont IL 60439 USA]","Zhong, Hui [Joint Photon Sciences Institute Stony Brook University Stony Brook NY 11794 USA]","Kahvecioglu, Ozgenur [Argonne National Laboratory Lemont IL 60439 USA]","Wang, Xiaoping [Argonne National Laboratory Lemont IL 60439 USA]","Pupek, Krzysztof Z. [Argonne National Laboratory Lemont IL 60439 USA]","Ma, Lu [National Synchrotron Light Source II Brookhaven National Laboratory Upton NY 11973 USA]","Ehrlich, Steven N. [National Synchrotron Light Source II Brookhaven National Laboratory Upton NY 11973 USA]","Srinivasan, Venkat [Argonne National Laboratory Lemont IL 60439 USA]","Qu, Xiaohui [National Synchrotron Light Source II Brookhaven National Laboratory Upton NY 11973 USA] (ORCID:0000000156518405)","Bai, Jianming [National Synchrotron Light Source II Brookhaven National Laboratory Upton NY 11973 USA]","Wang, Feng [Argonne National Laboratory Lemont IL 60439 USA] (ORCID:0000000340689212)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0935-9648","other_identifiers":["Journal ID: ISSN 0935-9648; 2312027"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311937"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311937"}]}, {"osti_id":"2311915","title":"Normal mode description of phases of matter: Application to heat capacity","doi":"10.1103/PhysRevResearch.6.013206","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Research Journal Volume: 6 Journal Issue: 1","description":"Understanding thermodynamics in liquids at the atomic level is challenging because of strong atomic interactions and lack of spatial symmetry. Recent prior theoretical works have focused on describing heat capacity of liquids in terms of phonon-like excitations but often rely on fitting factors and ad hoc assumptions. In this work, we propose characterizing various phases in terms of instantaneous normal modes (INMs) of structural snapshots from molecular dynamics simulations of single-element systems over wide ranges of temperature and pressure. We use the INMs to build a mode-level microscopic description of heat capacity and demonstrate that heat capacity of liquids can be described by a combination of both solidlike and gaslike degrees of freedom, leading to a more unified framework to fundamentally describe heat capacity of all three phases of matter: solid, liquid, and gas.","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review Research","journal_issue":"1","journal_volume":"6","format":"Medium: X","authors":["Moon, Jaeyun","Thébaud, Simon","Lindsay, Lucas","Egami, Takeshi"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231; TG-MAT200012; AC05-00OR22725; BES-ERCAP0023621","subjects":[],"orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)"],"journal_issn":"ISSN 2643-1564","other_identifiers":["Journal ID: ISSN 2643-1564; PPRHAI; 013206"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311915"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311915"}]}, {"osti_id":"2318509","title":"Parameterization of the Elevated Convection With a Unified Convection Scheme (UNICON) and Its Impacts on the Diurnal Cycle of Precipitation","doi":"10.1029/2023ms003651","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Advances in Modeling Earth Systems; Journal Volume: 16; Journal Issue: 3","description":"To improve the simulation of nocturnal precipitation, we develop a parameterization for the elevated convection that is launched from the level of maximum grid-mean moist static energy, when grid-mean vertical flow is upward at the launching interface. The parameterized elevated convection is forced by both cold pool-driven and partially resolved external mesoscale organized flows. Properties of the external mesoscale flow are estimated from grid-mean vertical velocity and three dimensional advection tendencies of temperature and moisture. The new parameterization is implemented into a unified convection scheme (UNICON) and tested for both the single-column case at the Southern Great Plain (SGP) site in US and in global simulations. At the SGP site, the parameterized elevated convection strengthens nocturnal convection, increases nocturnal precipitation, and better simulates the observed diurnal cycle of precipitation. It appears that the elevated and surface-based convections interact with each other by stabilizing the atmospheric column, which affects subsequent convection. Global simulation shows that the elevated convection mostly occurs over the continents during the night, and also over the oceanic mid-latitude warm air advection and storm track regions during summer. Without degrading global mean climate, the elevated convection improves the simulation of nocturnal precipitation in the mid-US but simulates somewhat strong nocturnal precipitation in northeastern Asia. It seems that a key to simulate observed nocturnal precipitation is to appropriately parameterize the impacts of external organized flow on the elevated convection.","availability":"ORNL","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Advances in Modeling Earth Systems","journal_issue":"3","journal_volume":"16","format":"Medium: ED; Size: Article No. e2023MS003651","authors":["Park, Sungsu [Seoul National Univ. (Korea, Republic of)] (ORCID:0000000292604412)","Song, Chanwoo [Seoul National Univ. (Korea, Republic of)] (ORCID:0000000163247455)","Kim, Siyun [Seoul National Univ. (Korea, Republic of)] (ORCID:0000000284064428)","Kim, Juwon [Seoul National Univ. (Korea, Republic of)]"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Accepted Manuscript","contributing_org":"Pacific Northwest National Laboratory (PNNL); Brookhaven National Laboratory (BNL); Argonne National Laboratory (ANL)","doe_contract_number":"AC05-76RL01830; 2020R1A2C2007558","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"e National Research Foundation of Korea (NRF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","e National Research Foundation of Korea (NRF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"],"journal_issn":"ISSN 1942-2466","other_identifiers":["Journal ID: ISSN 1942-2466"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318509"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2318509"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318509"}]}, {"osti_id":"2318792","title":"Physical properties of asteroid Dimorphos as derived from the DART impact","report_number":"LLNL-JRNL-846795","doi":"10.1038/s41550-024-02200-3","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nature Astronomy","description":"On 26 September 2022, NASA’s Double Asteroid Redirection Test (DART) mission successfully impacted Dimorphos, the natural satellite of the binary near-Earth asteroid (65803) Didymos. Numerical simulations of the impact provide a means to find the surface material properties and structures of the target that are consistent with the observed momentum deflection efficiency, ejecta cone geometry and ejected mass. Our simulation that best matches the observations indicates that Dimorphos is weak, with a cohesive strength of less than a few pascals, like asteroids (162173) Ryugu and (101955) Bennu. We find that the bulk density of Dimorphos <em>ρ<\/em><sub>B<\/sub> is lower than ~2,400 kg m<sup>–<\/sup><sup>3<\/sup> and that it has a low volume fraction of boulders (≲40 vol%) on the surface and in the shallow subsurface, which are consistent with data measured by the DART experiment. These findings suggest that Dimorphos is a rubble pile that might have formed through rotational mass shedding and reaccumulation from Didymos. Our simulations indicate that the DART impact caused global deformation and resurfacing of Dimorphos. ESA’s upcoming Hera mission may find a reshaped asteroid rather than a well-defined crater.","availability":"External Audience (Unlimited)","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Springer Nature","journal_name":"Nature Astronomy","format":"Medium: ED","authors":["Raducan, S. D. [Univ. of Bern (Switzerland)] (ORCID:0000000274780148)","Jutzi, M. [Univ. of Bern (Switzerland)] (ORCID:0000000218002974)","Cheng, A. F. [Johns Hopkins Univ., Laurel, MD (United States)] (ORCID:0000000153754250)","Zhang, Y. [Univ. of Maryland, College Park, MD (United States)] (ORCID:0000000340459046)","Barnouin, O. [Johns Hopkins Univ., Laurel, MD (United States)] (ORCID:0000000235787750)","Collins, G. S. [Imperial College, London (United Kingdom)] (ORCID:0000000260876149)","Daly, R. T. [Johns Hopkins Univ., Laurel, MD (United States)] (ORCID:0000000213202985)","Davison, T. M. [Imperial College, London (United Kingdom)] (ORCID:000000018790873X)","Ernst, C. M. [Johns Hopkins Univ., Laurel, MD (United States)] (ORCID:0000000294347886)","Farnham, T. L. [Univ. of Maryland, College Park, MD (United States)] (ORCID:0000000247679861)","Ferrari, F. [Politecnico di Milano (Italy)] (ORCID:0000000175374996)","Hirabayashi, M. [Georgia Institute of Technology, Atlanta, GA (United States); Auburn Univ., AL (United States)] (ORCID:0000000218215689)","Kumamoto, K. M. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000204006333)","Michel, P. [Universite Cote d\'Azur, Nice (France); Univ. of Tokyo (Japan)] (ORCID:0000000208841993)","Murdoch, N. [Univ. of Toulouse (France)] (ORCID:0000000297014075)","Nakano, R. [Georgia Institute of Technology, Atlanta, GA (United States); Auburn Univ., AL (United States)] (ORCID:0000000298402416)","Pajola, M. [National Institute for Astrophysics (INAF) (Italy). Astronomical Observatory of Padova (OAPD)] (ORCID:0000000231441277)","Rossi, A. [National Research Council (CNR) (Italy). Institute of Applied Physics \"Nello Carrara\" (IFAC)] (ORCID:0000000193112869)","Agrusa, H. F. [Univ. of Maryland, College Park, MD (United States); Universite Cote d\'Azur, Nice (France)] (ORCID:000000023544298X)","Barbee, B. W. [NASA Goddard Space Flight Center (GSFC), Greenbelt, MD (United States)] (ORCID:0000000337393242)","Syal, M. Bruck [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Chabot, N. L. [Johns Hopkins Univ., Laurel, MD (United States)] (ORCID:0000000186283176)","Dotto, E. [Istituto Nazionale di Astrofisica (INAF), Roma (Italy)] (ORCID:0000000293351656)","Fahnestock, E. G. [California Institute of Technology (CalTech), Pasadena, CA (United States)] (ORCID:0000000313915851)","Hasselmann, P. H. [Istituto Nazionale di Astrofisica (INAF), Roma (Italy)]","Herreros, I. [Spanish National Research Council and National Institute of Aerospace Technology (CSIC-INTA) (Spain). Centro de Astrobiología (CAB)] (ORCID:0000000152848060)","Ivanovski, S. [Istituto Nazionale di Fisica Nucleare (INFN), Trieste (Italy). Osservatorio Astronomico di Trieste]","Li, J. -Y. [Planetary Science Institute, Tucson, AZ (United States)] (ORCID:0000000338419977)","Lucchetti, A. [National Institute for Astrophysics (INAF) (Italy). Astronomical Observatory of Padova (OAPD)] (ORCID:0000000174133058)","Luther, R. [Leibniz Institute for Evolution and Biodiversity Science, Berlin (Germany)] (ORCID:0000000207451467)","Ormö, J. [Spanish National Research Council and National Institute of Aerospace Technology (CSIC-INTA) (Spain). Centro de Astrobiología (CAB)] (ORCID:0000000258109442)","Owen, M. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:000000034796124X)","Pravec, P. [Czech Academy of Sciences (CAS) (Czech Republic). Astronomical Institute]","Rivkin, A. S. [Johns Hopkins Univ., Laurel, MD (United States)] (ORCID:0000000299399976)","Robin, C. Q. [Univ. of Toulouse (France)]","Sánchez, P. [Univ. of Colorado, Boulder, CO (United States)] (ORCID:0000000336105480)","Tusberti, F. [National Institute for Astrophysics (INAF) (Italy). Astronomical Observatory of Padova (OAPD)] (ORCID:0000000292901679)","Wünnemann, K. [Leibniz Institute for Evolution and Biodiversity Science, Berlin (Germany)] (ORCID:0000000154231566)","Zinzi, A. [Agenzia Spaziale Italiana (ASI), Rome (Italy). Space Science Data Center] (ORCID:0000000152635348)","Epifani, E. Mazzotta [Istituto Nazionale di Astrofisica (INAF), Roma (Italy)] (ORCID:0000000314120946)","Manzoni, C. [London Stereoscopic Company (United Kingdom)] (ORCID:0000000337991832)","May, B. H. [London Stereoscopic Company (United Kingdom)]"],"subjects":["79 ASTRONOMY AND ASTROPHYSICS","asteroids","comets","Kuiper belt"],"article_type":"Accepted Manuscript","doe_contract_number":"AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 2397-3366","other_identifiers":["Journal ID: ISSN 2397-3366; 1071231"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318792"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2318792"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318792"}]}, {"osti_id":"2318789","title":"Achievement of the Planetary Defense Investigations of the Double Asteroid Redirection Test (DART) Mission","report_number":"LLNL-JRNL-854115","doi":"10.3847/psj/ad16e6","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Planetary Science Journal; Journal Volume: 5; Journal Issue: 2","description":"NASA\'s Double Asteroid Redirection Test (DART) mission was the first to demonstrate asteroid deflection, and the mission\'s Level 1 requirements guided its planetary defense investigations. Here, we summarize DART\'s achievement of those requirements. On 2022 September 26, the DART spacecraft impacted Dimorphos, the secondary member of the Didymos near-Earth asteroid binary system, demonstrating an autonomously navigated kinetic impact into an asteroid with limited prior knowledge for planetary defense. Months of subsequent Earth-based observations showed that the binary orbital period was changed by –33.24 minutes, with two independent analysis methods each reporting a 1<em>σ<\/em> uncertainty of 1.4 s. Dynamical models determined that the momentum enhancement factor, <em>β<\/em>, resulting from DART\'s kinetic impact test is between 2.4 and 4.9, depending on the mass of Dimorphos, which remains the largest source of uncertainty. Over five dozen telescopes across the globe and in space, along with the Light Italian CubeSat for Imaging of Asteroids, have contributed to DART\'s investigations. These combined investigations have addressed topics related to the ejecta, dynamics, impact event, and properties of both asteroids in the binary system. A year following DART\'s successful impact into Dimorphos, the mission has achieved its planetary defense requirements, although work to further understand DART\'s kinetic impact test and the Didymos system will continue. In particular, ESA\'s Hera mission is planned to perform extensive measurements in 2027 during its rendezvous with the Didymos–Dimorphos system, building on DART to advance our knowledge and continue the ongoing international collaboration for planetary defense.","availability":"External Audience (Unlimited)","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"IOP Publishing","journal_name":"The Planetary Science Journal","journal_issue":"2","journal_volume":"5","format":"Medium: ED; Size: Article No. 49","authors":["Chabot, Nancy L. (ORCID:0000000186283176)","Rivkin, Andrew S. (ORCID:0000000299399976)","Cheng, Andrew F. (ORCID:0000000153754250)","Barnouin, Olivier S. (ORCID:0000000235787750)","Fahnestock, Eugene G. (ORCID:0000000313915851)","Richardson, Derek C. (ORCID:0000000200546850)","Stickle, Angela M. (ORCID:0000000276029120)","Thomas, Cristina A. (ORCID:0000000330915757)","Ernst, Carolyn M. (ORCID:0000000294347886)","Terik Daly, R. (ORCID:0000000213202985)","Dotto, Elisabetta (ORCID:0000000293351656)","Zinzi, Angelo (ORCID:0000000152635348)","Chesley, Steven R. (ORCID:0000000332406497)","Moskovitz, Nicholas A. (ORCID:0000000167656336)","Barbee, Brent W. (ORCID:0000000337393242)","Abell, Paul (ORCID:0000000262331820)","Agrusa, Harrison F. (ORCID:000000023544298X)","Bannister, Michele T. (ORCID:0000000332574490)","Beccarelli, Joel (ORCID:0000000294188301)","Bekker, Dmitriy L. (ORCID:0000000202938938)","Bruck Syal, Megan (ORCID:0000000327769955)","Buratti, Bonnie J. (ORCID:0000000259014875)","Busch, Michael W. (ORCID:0000000324747523)","Campo Bagatin, Adriano (ORCID:0000000198402216)","Chatelain, Joseph P. (ORCID:0000000212785998)","Chocron, Sidney (ORCID:0000000268383330)","Collins, Gareth S. (ORCID:0000000260876149)","Conversi, Luca (ORCID:0000000267108476)","Davison, Thomas M. (ORCID:000000018790873X)","DeCoster, Mallory E. (ORCID:0000000211399235)","Prasanna Deshapriya, J. D. (ORCID:0000000257581286)","Eggl, Siegfried (ORCID:0000000213986302)","Espiritu, Raymond C. (ORCID:000000025091827X)","Farnham, Tony L. (ORCID:0000000247679861)","Ferrais, Marin (ORCID:000000020535652X)","Ferrari, Fabio (ORCID:0000000175374996)","Föhring, Dora (ORCID:0000000192592688)","Fuentes-Muñoz, Oscar (ORCID:0000000158751083)","Gai, Igor (ORCID:0000000253673650)","Giordano, Carmine (ORCID:0000000308334729)","Glenar, David A. (ORCID:0000000321553854)","Gomez, Edward (ORCID:0000000157491507)","Graninger, Dawn M. (ORCID:0000000315820581)","Green, Simon F. (ORCID:0000000291539786)","Greenstreet, Sarah (ORCID:0000000244391539)","Hasselmann, Pedro H. (ORCID:0000000311938945)","Herreros, Isabel (ORCID:0000000152848060)","Hirabayashi, Masatoshi (ORCID:0000000218215689)","Husárik, Marek (ORCID:0000000259327214)","Ieva, Simone (ORCID:0000000186949038)","Ivanovski, Stavro L. (ORCID:0000000280687695)","Jackson, Samuel L. (ORCID:0000000192424254)","Jehin, Emmanuel (ORCID:000000018923488X)","Jutzi, Martin (ORCID:0000000218002974)","Karatekin, Ozgur (ORCID:0000000301537291)","Knight, Matthew M. (ORCID:0000000327816897)","Kolokolova, Ludmilla (ORCID:0000000293213202)","Kumamoto, Kathryn M. (ORCID:0000000204006333)","Küppers, Michael (ORCID:0000000256668582)","La Forgia, Fiorangela (ORCID:0000000339241867)","Lazzarin, Monica (ORCID:0000000179762339)","Li, Jian-Yang (ORCID:0000000338419977)","Lister, Tim A. (ORCID:0000000238187769)","Lolachi, Ramin (ORCID:0000000157647639)","Lucas, Michael P. (ORCID:0000000153773128)","Lucchetti, Alice (ORCID:0000000174133058)","Luther, Robert (ORCID:0000000207451467)","Makadia, Rahil (ORCID:0000000192652230)","Mazzotta Epifani, Elena (ORCID:0000000314120946)","McMahon, Jay (ORCID:0000000218474795)","Merisio, Gianmario (ORCID:0000000188067952)","Merrill, Colby C. (ORCID:0000000255660618)","Meyer, Alex J. (ORCID:0000000184371076)","Michel, Patrick (ORCID:0000000208841993)","Micheli, Marco (ORCID:0000000178958209)","Migliorini, Alessandra (ORCID:0000000173869215)","Minker, Kate (ORCID:0009000264359453)","Modenini, Dario (ORCID:0000000215173938)","Moreno, Fernando (ORCID:000000030670356X)","Murdoch, Naomi (ORCID:0000000297014075)","Murphy, Brian (ORCID:0000000281375132)","Naidu, Shantanu P. (ORCID:0000000344397014)","Nair, Hari (ORCID:0000000297537650)","Nakano, Ryota (ORCID:0000000298402416)","Opitom, Cyrielle (ORCID:0000000292987484)","Ormö, Jens (ORCID:0000000258109442)","Michael Owen, J. (ORCID:000000034796124X)","Pajola, Maurizio (ORCID:0000000231441277)","Palmer, Eric E. (ORCID:0000000167558736)","Palumbo, Pasquale (ORCID:0000000323239228)","Panicucci, Paolo (ORCID:0000000337436302)","Parro, Laura M. (ORCID:000000016696461X)","Pearl, Jason M. (ORCID:0000000253407272)","Penttilä, Antti (ORCID:0000000174031721)","Perna, Davide (ORCID:0000000245453850)","Petrescu, Elisabeta (ORCID:0000000308741703)","Pravec, Petr (ORCID:0000000184349776)","Raducan, Sabina D. (ORCID:0000000274780148)","Ramesh, K. T. (ORCID:0000000326594698)","Ridden-Harper, Ryan (ORCID:0000000317242885)","Rizos, Juan L. (ORCID:0000000297891203)","Rossi, Alessandro (ORCID:0000000193112869)","Roth, Nathan X. (ORCID:0000000260069574)","Rożek, Agata (ORCID:0000000323412238)","Rozitis, Benjamin (ORCID:000000019893241X)","Ryan, Eileen V. (ORCID:0000000169219877)","Ryan, William H. (ORCID:0000000292264956)","Sánchez, Paul (ORCID:0000000336105480)","Santana-Ros, Toni (ORCID:0000000201439440)","Scheeres, Daniel J. (ORCID:0000000305583842)","Scheirich, Peter (ORCID:0000000185189532)","Berk Senel, Cem (ORCID:0000000276779597)","Snodgrass, Colin (ORCID:0000000193282905)","Soldini, Stefania (ORCID:0000000331213845)","Souami, Damya (ORCID:0000000340580815)","Statler, Thomas S. (ORCID:0000000349099542)","Street, Rachel (ORCID:0000000162790552)","Stubbs, Timothy J. (ORCID:000000025524645X)","Sunshine, Jessica M. (ORCID:0000000294138785)","Tan, Nicole J. (ORCID:0000000165418887)","Tancredi, Gonzalo (ORCID:0000000249438623)","Tinsman, Calley L. (ORCID:0000000280787303)","Tortora, Paolo (ORCID:0000000192597673)","Tusberti, Filippo (ORCID:0000000292901679)","Walker, James D. (ORCID:0000000230938978)","Waller, C. Dany (ORCID:0000000263103766)","Wünnemann, Kai (ORCID:0000000154231566)","Zannoni, Marco (ORCID:0000000241519656)","Zhang, Yun (ORCID:0000000340459046)"],"subjects":["79 ASTRONOMY AND ASTROPHYSICS","asteroids","small solar system bodies","near-Earth objects","asteroid satellites","planetary science","solar system astronomy","asteroid dynamics","asteroid surfaces","impact phenomena"],"article_type":"Accepted Manuscript","contributing_org":"DART Team; LICIACube Team","doe_contract_number":"AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 2632-3338","other_identifiers":["Journal ID: ISSN 2632-3338; 1082299"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318789"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2318789"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318789"}]}, {"osti_id":"2311914","title":"Distinct Composition‐Dependent Topological Hall Effect in Mn\n <sub>2‐x<\/sub>\n Zn\n <sub>x<\/sub>\n Sb","doi":"10.1002/apxr.202300145","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Physics Research","description":"<title>Abstract<\/title>\n <p>\n Spintronics, an evolving interdisciplinary field at the intersection of magnetism and electronics, explores innovative applications of electron charge and spin properties for advanced electronic devices. The topological Hall effect (THE), a key component in spintronics, has gained significance due to emerging theories surrounding noncoplanar chiral spin textures. This study focuses on Mn\n <sub>2‐x<\/sub>\n Zn\n <sub>x<\/sub>\n Sb, a material crystalizing in centrosymmetric space group with rich magnetic phases tunable by Zn contents. Through comprehensive magnetic and transport characterizations, we found that the high‐Zn (\n <italic>x<\/italic>\n  > 0.6) samples display THE which is enhanced with decreasing temperature, while THE in the low‐Zn (\n <italic>x<\/italic>\n  < 0.6) samples show an opposite trend. The coexistence of those distinct temperature dependencies for THE suggests very different magnetic interactions/structures for different compositions and underscores the strong coupling between magnetism and transport in Mn\n <sub>2‐x<\/sub>\n Zn\n <sub>x<\/sub>\n Sb. The findings contribute to understanding topological magnetism in centrosymmetric tetragonal lattices, establishing Mn\n <sub>2‐x<\/sub>\n Zn\n <sub>x<\/sub>\n Sb as a unique platform for exploring tunable transport effects and opening avenues for further exploration in the realm of spintronics.\n <\/p>","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Physics Research","format":"Medium: X","authors":["Nabi, Md Rafique Un [Department of Physics University of Arkansas Fayetteville AR 72701 USA, MonArk NSF Quantum Foundry University of Arkansas Fayetteville AR 72701 USA] (ORCID:0000000259427901)","Li, Yue [Materials Science Division Argonne National Laboratory Lemont IL 60439 USA] (ORCID:0000000191710355)","te Velthuis, Suzanne G. E. [Materials Science Division Argonne National Laboratory Lemont IL 60439 USA] (ORCID:0000000210238384)","Chhetri, Santosh Karki [Department of Physics University of Arkansas Fayetteville AR 72701 USA]","Upreti, Dinesh [Department of Physics University of Arkansas Fayetteville AR 72701 USA]","Basnet, Rabindra [Department of Physics University of Arkansas Fayetteville AR 72701 USA, Department of Chemistry &, Physics University of Arkansas at Pine Bluff Pine Bluff AR 71603 USA]","Acharya, Gokul [Department of Physics University of Arkansas Fayetteville AR 72701 USA]","Phatak, Charudatta [Materials Science Division Argonne National Laboratory Lemont IL 60439 USA, Department of Materials Science and Engineering Northwestern University Evanston IL 60208 USA] (ORCID:0000000289310296)","Hu, Jin [Department of Physics University of Arkansas Fayetteville AR 72701 USA, MonArk NSF Quantum Foundry University of Arkansas Fayetteville AR 72701 USA, Materials Science and Engineering Program Institute for Nanoscience and Engineering University of Arkansas Fayetteville AR 72701 USA] (ORCID:0000000300804239)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2751-1200","other_identifiers":["Journal ID: ISSN 2751-1200; 2300145"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311914"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311914"}]}, {"osti_id":"2316189","title":"Polydiallylammonium-Polysulfone Multiblock Copolymers for Moisture-Swing Direct Air Capture of Carbon Dioxide","doi":"10.1021/acsapm.3c02850","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Applied Polymer Materials","description":"Polysulfones are an important class of materials for a variety of applications due to their excellent strength and thermal stability. Quaternary ammonium polymers are also useful materials due to their ion exchange properties, and such materials with alkaline counterions have been used to capture carbon dioxide (CO<sub>2<\/sub>) from ambient air through a moisture-driven mechanism. Herein, we design sulfone-based multiblock copolymers containing ammonium functionalities and demonstrate their potential for CO<sub>2<\/sub> capture. Specifically, a series of multiblock copolymers containing both polydiallyldimethylammonium (PDADMA) and polysulfone (PSf) blocks were synthesized. PSf blocks provide mechanical integrity, while the PDADMA blocks enable the direct air capture of CO<sub>2<\/sub>. Multiblock copolymers were synthesized at high yield, and PDADMA(OH)-PSf copolymer films with good flexibility and strength were formed with IECs of 424 μmol/g (17 mol % PDADMA(OH)), 1407 μmol/g (44 mol % PDADMA(OH)), and 1726 μmol/g (50 mol % PDADMA(OH)). Thermogravimetric analysis was used to determine that all films are thermally stable up to 345 °C. Differential scanning calorimetry revealed that the 17 and 44 mol % functionalized PDADMA(OH)-PSf multiblock copolymers showed one T<sub>g<\/sub> at 185 °C and 50 mol % PDADMA(OH)-PSf polymer showed a T<sub>g<\/sub> at 183 °C and a second T<sub>g<\/sub> at 16 °C. Atomic force microscopy showed that the multiblock polymers exhibit disordered phase separation. Furthermore, the copolymer materials displayed moisture-swing direct air capture of CO<sub>2<\/sub>, opening up pathways to utilize polymer architecture and chemistry to tailor the properties of promising sorbents.","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"ACS Publications","journal_name":"ACS Applied Polymer Materials","format":"Medium: ED","authors":["Biery, Alison R. [Colorado School of Mines, Golden, CO (United States)] (ORCID:0000000313353713)","Behbahani, Hoda Shokrollahzadeh [Arizona State University, Tempe, AZ (United States)] (ORCID:0009000709453558)","Green, Matthew D. [Arizona State University, Tempe, AZ (United States)] (ORCID:0000000155183412)","Knauss, Daniel M. [Colorado School of Mines, Golden, CO (United States)] (ORCID:0000000194455505)"],"subjects":["42 ENGINEERING","direct air capture","moisture swing","polysulfones","polydiallyldimethylammonium","block copolymers","copolymers","materials","membranes","oligomers","polymers"],"article_type":"Accepted Manuscript","doe_contract_number":"AR0001103; SC0023343","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Advanced Research Projects Agency - Energy (ARPA-E)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Advanced Research Projects Agency - Energy (ARPA-E)"],"orgs_research":[{"name":"Arizona State Univ., Tempe, AZ (United States)"}],"research_orgs":["Arizona State Univ., Tempe, AZ (United States)"],"journal_issn":"ISSN 2637-6105","other_identifiers":["Journal ID: ISSN 2637-6105"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316189"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316189"}]}, {"osti_id":"2311899","title":"Spatially resolved land and grid model of carbon neutrality in China","doi":"10.1073/pnas.2306517121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 10","description":"<p>China has committed to achieve net carbon neutrality by 2060 to combat global climate change, which will require unprecedented deployment of negative emissions technologies, renewable energies (RE), and complementary infrastructure. At terawatt-scale deployment, land use limitations interact with operational and economic features of power systems. To address this, we developed a spatially resolved resource assessment and power systems planning optimization that models a full year of power system operations, sub-provincial RE siting criteria, and transmission connections. Our modeling results show that wind and solar must be expanded to 2,000 to 3,900 GW each, with one plausible pathway leading to 300 GW/yr combined annual additions in 2046 to 2060, a three-fold increase from today. Over 80% of solar and 55% of wind is constructed within 100 km of major load centers when accounting for current policies regarding land use. Large-scale low-carbon systems must balance key trade-offs in land use, RE resource quality, grid integration, and costs. Under more restrictive RE siting policies, at least 740 GW of distributed solar would become economically feasible in regions with high demand, where utility-scale deployment is limited by competition with agricultural land. Effective planning and policy formulation are necessary to achieve China’s climate goals.<\/p>","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"10","journal_volume":"121","format":"Medium: X","authors":["Zhang, Da [Institute of Energy, Environment and Economy, Tsinghua University, Beijing 100084, China]","Zhu, Ziheng [Institute of Energy, Environment and Economy, Tsinghua University, Beijing 100084, China] (ORCID:0009000566719426)","Chen, Shi [School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing 100084, China]","Zhang, Chongyu [School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing 100084, China] (ORCID:000000027302595X)","Lu, Xi [School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing 100084, China] (ORCID:0000000250633776)","Zhang, Xiliang [Institute of Energy, Environment and Economy, Tsinghua University, Beijing 100084, China]","Zhang, Xiaoye [State Key Laboratory of Severe Weather, Chinese Academy of Meteorological Sciences, Beijing 100081, China]","Davidson, Michael R. [Department of Mechanical and Aerospace Engineering, University of California San Diego, San Diego, CA 92093, School of Global Policy and Strategy, University of California San Diego, San Diego, CA 92093] (ORCID:0000000250358209)"],"article_type":"Published Article","doe_contract_number":"DEEE0007165","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2306517121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311899"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311899"}]}, {"osti_id":"2319168","title":"Effect of <em>f<\/em>-element complexation on the radiolysis of 2-ethylhexylphosphonic acid mono-2-ethylhexyl ester (HEH[EHP])","report_number":"BNL-225369-2024-JAAM","doi":"10.1039/d4dt00424h","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Dalton Transactions","description":"A systematic study of the impact on the chemical reactivity of the oxidising n-dodecane radical cation (RH˙<sup>+<\/sup>) with f-element complexed 2-ethylhexylphosphonic acid mono-2-ethylhexyl ester (HEH[EHP]) has been undertaken utilizing time-resolved electron pulse radiolysis/transient absorption spectroscopy and high-level quantum mechanical calculations. Lanthanide ion complexed species, [Ln((HEH[EHP])<sub>2<\/sub>)<sub>3<\/sub>], exhibited vastly increased reactivity (over 10× faster) in comparison to the non-complexed ligand in n-dodecane solvent, whose rate coefficient was k = (4.66 ± 0.22) × 10<sup>9<\/sup> M<sup>-1<\/sup> s<sup>-1<\/sup>. Similar reactivity enhancement was also observed for the corresponding americium ion complex, k = (5.58 ± 0.30) × 10<sup>10<\/sup> M<sup>-1<\/sup> s<sup>-1<\/sup>. The vastly increased reactivity of these f-element complexes was not due to simple increased diffusion-control of these reactions; rather, enhanced hole transfer mechanisms for the complexes were calculated to become energetically more favourable. Interestingly, the observed reactivity trend with lanthanide ion size was not linear; instead, the rate coefficients showed an initial increase (Lu to Yb) followed by a decrease (Tm to Ho), followed by another increase (Dy to La). This behaviour was excellently predicted by the calculated reaction volumes of these complexes. In conclusion, complementary cobalt-60 gamma irradiations for select lanthanide complexes demonstrated that the measured kinetic differences translated to increased ligand degradation at steady-state timescales, affording ~38% increase in ligand loss of a 1:1 [La((HEH[EHP])<sub>2<\/sub>)<sub>3<\/sub>]: HEH[EHP] ratio system.","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Royal Society of Chemistry","journal_name":"Dalton Transactions","format":"Medium: ED","authors":["Mezyk, Stephen P. [California State Univ. (CalState), Long Beach, CA (United States)] (ORCID:0000000178381999)","Baxter, Makayla [Northwestern Univ., Evanston, IL (United States); Idaho National Laboratory (INL), Idaho Falls, ID (United States)]","Celis-Barros, Cristian [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000246855229)","Grimes, Travis S. [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:0000000327510492)","Zalupski, Peter R. [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:0000000173595568)","Rae, Cathy [Idaho National Laboratory (INL), Idaho Falls, ID (United States)]","Zarzana, Christopher A. [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:0000000196177123)","Cook, Andrew R. [Brookhaven National Laboratory (BNL), Upton, NY (United States)] (ORCID:0000000166333447)","Horne, Gregory P. [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:0000000305960660)"],"subjects":["11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0012704; AC07‐05ID14517; NE0008406","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"},{"name":"USDOE Office of Science (SC), Office of Workforce Development for Teachers & Scientists (WDTS)"},{"name":"USDOE Office of Nuclear Energy (NE), Nuclear Energy University Program (NEUP)"},{"name":"USDOE"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)","USDOE Office of Science (SC), Office of Workforce Development for Teachers & Scientists (WDTS)","USDOE Office of Nuclear Energy (NE), Nuclear Energy University Program (NEUP)","USDOE"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"},{"name":"Idaho National Laboratory (INL), Idaho Falls, ID (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)","Idaho National Laboratory (INL), Idaho Falls, ID (United States)"],"journal_issn":"ISSN 1477-9226","other_identifiers":["Journal ID: ISSN 1477-9226"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319168"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319168"}]}, {"osti_id":"2322378","title":"A Stereo Camera Simulator for Large-Eddy Simulations of Continental Shallow Cumulus Clouds Based on Three-Dimensional Path-Tracing","doi":"10.1029/2023ms003797","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Advances in Modeling Earth Systems; Journal Volume: 16; Journal Issue: 3","description":"The complex spatial and temporal structure of cumulus clouds complicates their representation in weather and climate models. Classic meteorological instrumentation struggles to fully capture these features. Networks of multiple high-resolution hemispheric cameras are increasingly used to fill this data gap, and provide information on this missing multi-dimensional spatial information. In this study, a path-tracing algorithm is used to generate virtual camera images of resolved clouds in large-eddy simulations (LES). These images are then used as a camera network simulator, allowing reconstructions of three-dimensional cloud edges from the model output. Because the actual LES cloud field is fully known, the combined path-tracing and reconstruction method can be statistically analyzed. The method is applied to LES realizations of summertime shallow cumulus at the Jülich Observatory for Cloud Evolution (JOYCE), Germany, which also routinely operates a camera network. We find that the path-tracing method allows accurate reconstruction of up to 70% of the visible cloud edges. Additional sensitivity tests show that the method is robust for changes in its hyperparameters. The sensitivity to cloud optical thickness is also investigated, finding a cloud boundary placement error of approximately 182 m. This error can be considered typical for cloud boundary reconstruction using real stereo camera imagery. The results provide proof of principle for future use of the method for evaluating LES clouds against camera network imagery, and for further optimizing the configuration of such camera networks.","availability":"ORNL","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Advances in Modeling Earth Systems","journal_issue":"3","journal_volume":"16","format":"Medium: ED; Size: Article No. e2023MS003797","authors":["Burchart, Yannick [Univ. of Cologne (Germany)] (ORCID:0000000167982596)","Beekmans, Christoph [Univ. of Bonn (Germany)]","Neggers, Roel [Univ. of Cologne (Germany)] (ORCID:0000000191823050)"],"subjects":["54 ENVIRONMENTAL SCIENCES","shallow cumulus clouds","virtual camera image simulator","cloud photogrammetry","large-eddy simulation","cloud modeling","ray-tracing"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0022126","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1942-2466","other_identifiers":["Journal ID: ISSN 1942-2466"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322378"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2322378"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322378"}]}, {"osti_id":"2316152","title":"cppTPSA/pyTPSA: a C++/Python package for truncated power series algebra","report_number":"JLAB-ACP-21-3486; DOE/OR/23177-5305","doi":"10.21105/joss.04818","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Open Source Software; Journal Volume: 9; Journal Issue: 94","description":"The truncated power series algebra (TPSA), also referred to as differential algebra (DA), is a well-established and widely used method in particle accelerator physics and astronomy. The most straightforward usage of TPSA/DA is to calculate the Taylor expansion of a given function at a specific point up to order ?. In recent years, as the application of TPSA/TA has been extended to other fields, a reusable implementation of TPSA/DA as a modern C++ library or other high level programming language like Python has become desirable. The cppTPSA package implements TPSA/DA in C++11 and provides developers a convenient library with which to build advanced TPSA/DA-based methods. A Python 3 library, pyTPSA, has also been developed based on the C++ lib.","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Open Source Initiative - NumFOCUS","journal_name":"Journal of Open Source Software","journal_issue":"94","journal_volume":"9","format":"Medium: ED; Size: Article No. 4818","authors":["Zhang, He [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)] (ORCID:0000000177014118)"],"subjects":["97 MATHEMATICS AND COMPUTING"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-06OR23177","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"}],"research_orgs":["Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"],"journal_issn":"ISSN 2475-9066","other_identifiers":["Journal ID: ISSN 2475-9066"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316152"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2316152"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316152"}]}, {"osti_id":"2311928","title":"Analysis of the first ten years of FDA’s rare pediatric disease priority review voucher program: designations, diseases, and drug development","doi":"10.1186/s13023-024-03097-x","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Orphanet Journal of Rare Diseases Journal Volume: 19 Journal Issue: 1","description":"<title>Abstract<\/title>\n <sec>\n <title>Background<\/title>\n <p>The Rare Pediatric Disease (RPD) Priority Review Voucher (PRV) Program was enacted in 2012 to support the development of new products for children. Prior to requesting a voucher, applicants can request RPD designation, which confirms their product treats or prevents a rare disease in which the serious manifestations primarily affect children. This study describes the trends and characteristics of these designations. Details of RPD designations are not publicly disclosable; this research represents the first analysis of the RPD designation component of the program.<\/p>\n <\/sec>\n <sec>\n <title>Results<\/title>\n <p>We used an internal US Food and Drug Administration database to analyze all RPD designations between 2013 and 2022. Multiple characteristics were analyzed, including the diseases targeted by RPD designation, whether the product targeted a neonatal disease, product type (drug/biologic), and the level of evidence (preclinical/clinical) to support designation. There were 569 RPD designations during the study period. The top therapeutic areas were neurology (26%, n = 149), metabolism (23%, n = 131), oncology (18%, n = 105). The top diseases targeted by RPD designation were Duchenne muscular dystrophy, neuroblastoma, and sickle cell disease. Neonatology products represented 6% (n = 33), over half were for drug products and 38% were supported by clinical data.<\/p>\n <\/sec>\n <sec>\n <title>Conclusions<\/title>\n <p>The RPD PRV program was created to encourage development of new products for children. The results of this study establish that a wide range of diseases have seen development—from rare pediatric cancers to rare genetic disorders. Continued support of product development for children with rare diseases is needed to find treatments for all children with unmet needs.<\/p>\n <\/sec>","publication_date":"2024-02-25T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Orphanet Journal of Rare Diseases","journal_issue":"1","journal_volume":"19","format":"Medium: X","authors":["Mease, Catherine (ORCID:000900050156198X)","Miller, Kathleen L.","Fermaglich, Lewis J.","Best, Jeanine","Liu, Gumei","Torjusen, Erika"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1750-1172","other_identifiers":["Journal ID: ISSN 1750-1172; 86; PII: 3097"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311928"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311928"}]}, {"osti_id":"2315048","title":"Magnetochiral tunneling in paramagnetic Co\n <sub>1/3<\/sub>\n NbS\n <sub>2<\/sub>","doi":"10.1073/pnas.2318443121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 10","description":"<p>\n Electric currents have the intriguing ability to induce magnetization in nonmagnetic crystals with sufficiently low crystallographic symmetry. Some associated phenomena include the non-linear anomalous Hall effect in polar crystals and the nonreciprocal directional dichroism in chiral crystals when magnetic fields are applied. In this work, we demonstrate that the same underlying physics is also manifested in the electronic tunneling process between the surface of a nonmagnetic chiral material and a magnetized scanning probe. In the paramagnetic but chiral metallic compound Co\n <sub>1/3<\/sub>\n NbS\n <sub>2<\/sub>\n , the magnetization induced by the tunneling current is shown to become detectable by its coupling to the magnetization of the tip itself. This results in a contrast across different chiral domains, achieving atomic-scale spatial resolution of structural chirality. To support the proposed mechanism, we used first-principles theory to compute the chirality-dependent current-induced magnetization and Berry curvature in the bulk of the material. Our demonstration of this magnetochiral tunneling effect opens up an avenue for investigating atomic-scale variations in the local crystallographic symmetry and electronic structure across the structural domain boundaries of low-symmetry nonmagnetic crystals.\n <\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"10","journal_volume":"121","format":"Medium: X","authors":["Lim, Seongjoon [Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854] (ORCID:0000000283835534)","Singh, Sobhit [Department of Mechanical Engineering, University of Rochester, Rochester, NY 14627, Materials Science Program, University of Rochester, Rochester, NY 14627]","Huang, Fei-Ting [Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854]","Pan, Shangke [Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854, State Key Laboratory Base of Novel Function Materials and Preparation Science, School of Material Sciences and Chemical Engineering, Ningbo University, Ningbo 315211, China]","Wang, Kefeng [Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854]","Kim, Jaewook [Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854] (ORCID:0000000254325711)","Kim, Jinwoong [Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854]","Vanderbilt, David [Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854] (ORCID:0000000224659091)","Cheong, Sang-Wook [Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854]"],"article_type":"Published Article","doe_contract_number":"SC-0020340","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2318443121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315048"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315048"}]}, {"osti_id":"2315060","title":"Oxygen Isotope and Fluorine Impurity Signatures during the Conversion of Uranium Ore Concentrates to Nuclear Fuel","report_number":"LLNL-JRNL-855739; LA-UR-23-31529; PNNL-SA-192129","doi":"10.1021/acsomega.3c10481","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Omega Journal Volume: 9 Journal Issue: 10","description":"Within the front end of the nuclear fuel cycle, many processes impart forensic signatures. Oxygen-stable isotopes (δ<sup>18<\/sup>O values) of uranium-bearing materials have been theorized to provide the processing and geolocational signatures of interdicted materials. However, this signature has been minimally utilized due to a limited understanding of how oxygen isotopes are influenced during uranium processing. This study explores oxygen isotope exchange and fractionation between magnesium diuranate (MDU), ammonium diuranate (ADU), and uranyl fluoride (UO<sub>2<\/sub>F<sub>2<\/sub>) with steam (water vapor) during their reduction to UO<sub>x<\/sub>. The MDU was precipitated from two water sources, one enriched and one depleted in <sup>18<\/sup>O. The UO<sub>2<\/sub>F<sub>2<\/sub> was precipitated from a single water source and either directly reduced or converted to ADU prior to reduction. All MDU, ADU, and UO<sub>2<\/sub>F<sub>2<\/sub> were reduced to UO<sub>x<\/sub> in a 10% hydrogen/90% nitrogen atmosphere that was dry or included steam. Powder X-ray diffraction (p-XRD) was used to verify the composition of materials after reduction as mixtures of primarily U<sub>3<\/sub>O<sub>8<\/sub>, U<sub>4<\/sub>O<sub>9<\/sub>, and UO<sub>2<\/sub> with trace magnesium and fluorine phases in UO<sub>x<\/sub> from MDU and UO<sub>2<\/sub>F<sub>2<\/sub>, respectively. The bulk oxygen isotope composition of UO<sub>x<\/sub> from MDU was analyzed using fluorination to remove the lattice-bound oxygen, and then O2 was subsequently analyzed with isotope ratio mass spectrometry (IRMS). The oxygen isotope compositions of the ADU, UO<sub>2<\/sub>F<sub>2<\/sub>, and the resulting UO<sub>x<\/sub> were analyzed by large geometry secondary ion mass spectrometry (LG-SIMS). When reduced with steam, the MDU, ADU, and UO<sub>2<\/sub>F<sub>2<\/sub> experienced significant oxygen isotope exchange, and the resulting δ<sup>18<\/sup>O values of UOx approached the values of the steam. When reduced without steam, the δ<sup>18<\/sup>O values of converted ADU, U<sub>3<\/sub>O<sub>8<\/sub>, and UO<sub>x<\/sub> products remained similar to those of the UO<sub>2<\/sub>F<sub>2<\/sub> starting material. LG-SIMS isotope mapping of F impurity abundances and distributions showed that direct steam-assisted reduction from UO<sub>2<\/sub>F<sub>2<\/sub> significantly removed F impurities while dry reduction from UO<sub>2<\/sub>F<sub>2<\/sub> led to the formation of UO<sub>x<\/sub> that was enhanced in F impurities. In addition, when UO<sub>2<\/sub>F<sub>2<\/sub> was processed via precipitation to ADU and calcination to U<sub>3<\/sub>O<sub>8<\/sub>, F impurities were largely removed, and reductions to UO<sub>x<\/sub> with and without steam each had low F impurities. Overall, these findings show promise for combining multiple signatures to predict the process history during the conversion of uranium ore concentrates to nuclear fuel.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Omega","journal_issue":"10","journal_volume":"9","format":"Medium: X; Size: p. 12135-12145","authors":["Chalifoux, Aaron M. [Department of Nuclear Engineering, University of Utah, 110 Central Campus Dr., Suite 2000, Salt Lake City, Utah 84112, United States, Pacific Northwest National Laboratory, Richland, Washington 99352, United States]","Nizinski, Cody [Department of Nuclear Engineering, University of Utah, 110 Central Campus Dr., Suite 2000, Salt Lake City, Utah 84112, United States, Pacific Northwest National Laboratory, Richland, Washington 99352, United States]","Cisneros, Miguel [Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, California 94550, United States]","Tenner, Travis [Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States]","Naes, Benjamin [Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States]","Wurth, Kimberly N. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States]","Oerter, Erik [Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, California 94550, United States]","Singleton, Michael [Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, California 94550, United States]","Bowen, Gabriel J. [Department of Geology and Geophysics, and Global Change and Sustainability Center, University of Utah, Salt Lake City, Utah 84108, United States]","McDonald, IV, Luther W. [Department of Nuclear Engineering, University of Utah, 110 Central Campus Dr., Suite 2000, Salt Lake City, Utah 84112, United States] (ORCID:0000000167355410)"],"subjects":["isotopes","materials","oxygen","redox reactions","water"],"article_type":"Published Article","doe_contract_number":"AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Security"},{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Security","USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation"],"orgs_research":[{"name":"Univ. of Utah, Salt Lake City, UT (United States)"}],"research_orgs":["Univ. of Utah, Salt Lake City, UT (United States)"],"journal_issn":"ISSN 2470-1343","other_identifiers":["Journal ID: ISSN 2470-1343"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315060"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315060"}]}, {"osti_id":"2322510","title":"Permafrost Carbon: Progress on Understanding Stocks and Fluxes Across Northern Terrestrial Ecosystems","report_number":"PNNL-SA-195592","doi":"10.1029/2023jg007638","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Geophysical Research. Biogeosciences; Journal Volume: 129; Journal Issue: 3","description":"Significant progress in permafrost carbon science made over the past decades include the identification of vast permafrost carbon stocks, the development of new pan-Arctic permafrost maps, an increase in terrestrial measurement sites for CO<sub>2<\/sub> and methane fluxes, and important factors affecting carbon cycling, including vegetation changes, periods of soil freezing and thawing, wildfire, and other disturbance events. Process-based modeling studies now include key elements of permafrost carbon cycling and advances in statistical modeling and inverse modeling enhance understanding of permafrost region C budgets. By combining existing data syntheses and model outputs, the permafrost region is likely a wetland methane source and small terrestrial ecosystem CO<sub>2<\/sub> sink with lower net CO<sub>2<\/sub> uptake toward higher latitudes, excluding wildfire emissions. For 2002–2014, the strongest CO2 sink was located in western Canada (median: -52 g C m<sup>-2<\/sup> y<sup>-1<\/sup>) and smallest sinks in Alaska, Canadian tundra, and Siberian tundra (medians: -5 to -9 g C m<sup>-2<\/sup> y<sup>-1<\/sup>). Eurasian regions had the largest median wetland methane fluxes (16–18 g CH4 m<sup>-2<\/sup> y<sup>-1<\/sup>). Quantifying the regional scale carbon balance remains challenging because of high spatial and temporal variability and relatively low density of observations. More accurate permafrost region carbon fluxes require: (a) the development of better maps characterizing wetlands and dynamics of vegetation and disturbances, including abrupt permafrost thaw; (b) the establishment of new year-round CO<sub>2<\/sub> and methane flux sites in underrepresented areas; and (c) improved models that better represent important permafrost carbon cycle dynamics, including non-growing season emissions and disturbance effects.","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"American Geophysical Union","journal_name":"Journal of Geophysical Research. Biogeosciences","journal_issue":"3","journal_volume":"129","format":"Medium: ED; Size: Article No. e2023JG007638","authors":["Treat, Claire C. [Helmholtz Center for Polar and Marine Research, Potsdam (Germany). Alfred Wegener Institute] (ORCID:0000000212258178)","Virkkala, Anna‐Maria [Woodwell Climate Research Center, Falmouth, MA (United States); Stockholm University (Sweden)]","Burke, Eleanor [Met Office Hadley Centre, Exeter (United Kingdom)] (ORCID:000000022158141X)","Bruhwiler, Lori [National Oceanic and Atmospheric Administration (NOAA), Boulder, CO (United States)] (ORCID:0000000235549250)","Chatterjee, Abhishek [California Institute of Technology (CalTech), Pasadena, CA (United States). Jet Propulsion Lab. (JPL)] (ORCID:0000000236800160)","Fisher, Joshua B. [Chapman University, Orange, CA (United States)]","Hashemi, Josh [Helmholtz Center for Polar and Marine Research, Potsdam (Germany). Alfred Wegener Institute] (ORCID:0000000286607406)","Parmentier, Frans‐Jan W. [University of Oslo (Norway)] (ORCID:0000000329527706)","Rogers, Brendan M. [Woodwell Climate Research Center, Falmouth, MA (United States)] (ORCID:0000000167118466)","Westermann, Sebastian [University of Oslo (Norway)] (ORCID:0000000305144321)","Watts, Jennifer D. [Woodwell Climate Research Center, Falmouth, MA (United States)] (ORCID:0000000172078999)","Blanc‐Betes, Elena [University of Illinois at Urbana-Champaign, IL (United States)]","Fuchs, Matthias [University of Colorado, Boulder, CO (United States)]","Kruse, Stefan [Helmholtz Center for Polar and Marine Research, Potsdam (Germany). Alfred Wegener Institute] (ORCID:0000000311071958)","Malhotra, Avni [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Miner, Kimberley [California Institute of Technology (CalTech), Pasadena, CA (United States). Jet Propulsion Lab. (JPL)]","Strauss, Jens [Helmholtz Center for Polar and Marine Research, Potsdam (Germany). Alfred Wegener Institute] (ORCID:0000000346784982)","Armstrong, Amanda [University of Maryland Baltimore County (UMBC), Baltimore, MD (United States)]","Epstein, Howard E. [University of Virginia, Charlottesville, VA (United States)] (ORCID:0000000328174486)","Gay, Bradley [California Institute of Technology (CalTech), Pasadena, CA (United States). Jet Propulsion Lab. (JPL)] (ORCID:0000000326172559)","Goeckede, Mathias [Max Planck Institute for Biogeochemistry, Jena (Germany)] (ORCID:0000000328338401)","Kalhori, Aram [GFZ German Research Centre for Geosciences, Potsdam (Germany)] (ORCID:0000000206528987)","Kou, Dan [University of Eastern Finland, Kuopio (Finland)] (ORCID:0000000161169553)","Miller, Charles E. [California Institute of Technology (CalTech), Pasadena, CA (United States). Jet Propulsion Lab. (JPL)] (ORCID:0000000293804838)","Natali, Susan M. [Woodwell Climate Research Center, Falmouth, MA (United States)]","Oh, Youmi [National Oceanic and Atmospheric Administration (NOAA), Boulder, CO (United States); University of Colorado, Boulder, CO (United States)]","Shakil, Sarah [University of Alberta, Edmonton, AB (Canada); Uppsala University (Sweden)] (ORCID:0000000288774830)","Sonnentag, Oliver [University of Montreal, QC (Canada)]","Varner, Ruth K. [University of New Hampshire, Durham, NH (United States)] (ORCID:0000000235716629)","Zolkos, Scott [Woodwell Climate Research Center, Falmouth, MA (United States)]","Schuur, Edward A.G. [Northern Arizona University, Flagstaff, AZ (United States)] (ORCID:0000000210962436)","Hugelius, Gustaf [Stockholm University (Sweden)] (ORCID:0000000280961594)"],"subjects":["permafrost","co2","CH4","synthesis"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; 80NM0018D0004; NNX17AD69A; 1931333; 8414; 323945; 301639","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"National Aeronautics and Space Administration (NASA)"},{"name":"Swiss National Science Foundation (SNSF)"},{"name":"Minderoo Foundation"},{"name":"Gordon and Betty Moore Foundation"},{"name":"EU Horizon 2020"},{"name":"Research Council of Norway"},{"name":"Swedish Research Council (SRC)"}],"sponsor_orgs":["USDOE Office of Science (SC)","USDOE Laboratory Directed Research and Development (LDRD) Program","National Aeronautics and Space Administration (NASA)","Swiss National Science Foundation (SNSF)","Minderoo Foundation","Gordon and Betty Moore Foundation","EU Horizon 2020","Research Council of Norway","Swedish Research Council (SRC)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2169-8953","other_identifiers":["Journal ID: ISSN 2169-8953"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322510"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2322510"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322510"}]}, {"osti_id":"2283263","title":"External standard calibration method for high-repetition-rate shock tube kinetic studies with synchrotron-based time-of-flight mass spectrometry","doi":"10.1039/D3AN00819C","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Analyst Journal Volume: 149 Journal Issue: 5","description":"<p>A new calibration method is proposed and tested to correct the experimental species time-profiles for variation of the pressure inside miniature, high-repetition-rate shock tubes coupled to synchrotron-based photoionization mass spectrometry.<\/p>","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Analyst","journal_issue":"5","journal_volume":"149","format":"Medium: X; Size: p. 1586-1596","authors":["Cano Ardila, Fabian E. [CNRS-INSIS, I.C.A.R.E., 1C Avenue de la recherche scientifique, 45071 Orléans cedex 2, France]","Nagaraju, Sharath [CNRS-INSIS, I.C.A.R.E., 1C Avenue de la recherche scientifique, 45071 Orléans cedex 2, France]","Tranter, Robert S. [Chemical Sciences and Engineering Department, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, Illinois 60439, USA] (ORCID:0000000302253880)","Garcia, Gustavo A. [Synchrotron SOLEIL, L\'Orme des Merisiers, St. Aubin BP 48, 91192 Gif sur Yvette, France] (ORCID:0000000329152553)","Desclaux, Anthony [CNRS-INSIS, I.C.A.R.E., 1C Avenue de la recherche scientifique, 45071 Orléans cedex 2, France]","Roque Ccacya, Anthony [CNRS-INSIS, I.C.A.R.E., 1C Avenue de la recherche scientifique, 45071 Orléans cedex 2, France] (ORCID:0000000236328724)","Chaumeix, Nabiha [CNRS-INSIS, I.C.A.R.E., 1C Avenue de la recherche scientifique, 45071 Orléans cedex 2, France]","Comandini, Andrea [CNRS-INSIS, I.C.A.R.E., 1C Avenue de la recherche scientifique, 45071 Orléans cedex 2, France] (ORCID:0000000271201913)"],"article_type":"Published Article","doe_contract_number":"AC02-06CH11357; Consortium on High Pressure Combustion Chemistry","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0003-2654","other_identifiers":["Journal ID: ISSN 0003-2654; ANALAO"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283263"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283263"}]}, {"osti_id":"2311933","title":"Robust training of machine learning interatomic potentials with dimensionality reduction and stratified sampling","doi":"10.1038/s41524-024-01227-4","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: npj Computational Materials Journal Volume: 10 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Machine learning interatomic potentials (MLIPs) enable accurate simulations of materials at scales beyond that accessible by ab initio methods and play an increasingly important role in the study and design of materials. However, MLIPs are only as accurate and robust as the data on which they are trained. Here, we present DImensionality-Reduced Encoded Clusters with sTratified (DIRECT) sampling as an approach to select a robust training set of structures from a large and complex configuration space. By applying DIRECT sampling on the Materials Project relaxation trajectories dataset with over one million structures and 89 elements, we develop an improved materials 3-body graph network (M3GNet) universal potential that extrapolates more reliably to unseen structures. We further show that molecular dynamics (MD) simulations with the M3GNet universal potential can be used instead of expensive ab initio MD to rapidly create a large configuration space for target systems. We combined this scheme with DIRECT sampling to develop a reliable moment tensor potential for titanium hydrides without the need for iterative augmentation of training structures. This work paves the way for robust high-throughput development of MLIPs across any compositional complexity.<\/p>","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"npj Computational Materials","journal_issue":"1","journal_volume":"10","format":"Medium: X","authors":["Qi, Ji (ORCID:0000000158089931)","Ko, Tsz Wai (ORCID:0000000208029559)","Wood, Brandon C.","Pham, Tuan Anh","Ong, Shyue Ping (ORCID:0000000157262587)"],"article_type":"Published Article","doe_contract_number":"22-ERD-014; 20-SI-004","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2057-3960","other_identifiers":["Journal ID: ISSN 2057-3960; 43; PII: 1227"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311933"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311933"}]}, {"osti_id":"2320360","title":"Leverage demand-side policies for energy security","doi":"10.1126/science.adj6150","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Science; Journal Volume: 383; Journal Issue: 6686","description":"Energy security is a top priority for governments, companies, and households because energy systems and the critical functions that they support are threatened by disruptions from wars, pandemics, climate change, and other shocks (1). More often than not, governments rely on policies focused on energy supply to enhance energy security while generally ignoring demand-side possibilities. Further, the indicators traditionally used to measure energy security are also tilted toward the supply side; this fails to capture the full spectrum of vulnerability to energy crises. Energy security assessments need to reflect the wider benefits of security related interventions more accurately. To that end, we develop a systematic approach to measuring the energy security impacts of policy interventions that explicitly considers energy demand (buildings, transport, and industry). Here, we determine that demand-side actions outperform conventional supply-side approaches at making countries more resilient. Energy demand links more directly than supply to the satisfaction of critical social functions and human well-being that are at the core of energy security. Yet, demand-side perspectives tend to be neglected or underrepresented in analysis and policy debates on energy security. Factors that contribute to this supply-side bias include the traditional sectoral organization of industries and policy institutions along fuels (coal, oil, and gas) and energy forms (electric utilities) as well as the decentralized and multivaried activities characteristic of energy demand (from vehicles to household appliances to manufacturing and more), which leads to a multitude of actors and institutional fragmentation. The basic fundamentals of energy systems and markets, where demand and supply are intricately linked, have also not yet risen from vague awareness to a central organizing principle among policy-makers for structuring the energy security discourse.","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"AAAS","journal_name":"Science","journal_issue":"6686","journal_volume":"383","format":"Medium: ED; Size: p. 946-949","authors":["Bento, Nuno [Instituto Universitá rio de Lisboa (ISCTE-IUL) (Portugal)]","Grubler, Arnulf [International Institute for Applied Systems Analysis (IIASA), Laxenburg (Austria); Montanuniversität Leoben (Austria)]","Boza-Kiss, Benigna [International Institute for Applied Systems Analysis (IIASA), Laxenburg (Austria)]","De Stercke, Simon [Imperial College London (United Kingdom)]","Krey, Volker [International Institute for Applied Systems Analysis (IIASA), Laxenburg (Austria); Norwegian University of Science and Technology (NTNU), Trondheim (Norway)]","McCollum, David L. [International Institute for Applied Systems Analysis (IIASA), Laxenburg (Austria); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)]","Zimm, Caroline [International Institute for Applied Systems Analysis (IIASA), Laxenburg (Austria)]","Alves, Tiago [Instituto Universitá rio de Lisboa (ISCTE-IUL) (Portugal)]"],"subjects":["29 ENERGY PLANNING, POLICY, AND ECONOMY"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0036-8075","other_identifiers":["Journal ID: ISSN 0036-8075"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320360"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320360"}]}, {"osti_id":"2315715","title":"Using phenology to unravel differential soil water use and productivity in a semiarid savanna","doi":"10.1002/ecs2.4762","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Ecosphere Journal Volume: 15 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Savannas are water‐limited ecosystems characterized by two dominant plant types: trees and an understory primarily made up grass. Different phenology and root structures of these plant types complicate how savanna primary productivity responds to changes in water availability. We tested the hypothesis that productivity in savannas is controlled by the temporal and vertical distribution of soil water content (SWC) and differences in growing season length of understory and tree plant functional types. To quantify the relationship between tree, understory, and savanna‐wide phenology and productivity, we used PhenoCam and satellite observations surrounding an eddy covariance tower at a semiarid savanna site in Arizona, USA. We distinguished between SWC across two different depth intervals (shallow, <0–30 cm and deep, >30–100 cm). We found that tree greenness increased with SWC at both depths, while understory greenness was only sensitive to the shallower SWC measurements. Onset of ecosystem dormancy, estimated from satellite observations close to the eddy covariance tower, explained more variability in annual gross primary productivity (GPP) than in other phenometrics. Higher SWC led to an extended growing season, caused by delayed dormancy in trees, but the understory showed no evidence of delayed dormancy in wetter periods. We infer that the timing of ecosystem scale dormancy, driven by trees, is important in understanding changes in a savanna\'s GPP. These findings highlight the important effects of rainfall during the winter. These findings suggest that savanna GPP is conditional on different responses to moisture availability in each of the dominant vegetation components.<\/p>","publication_date":"2024-02-25T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Ecosphere","journal_issue":"2","journal_volume":"15","format":"Medium: X","authors":["Steiner, Blake [ITS Center for Geospatial Science, Education, and Analytics, Old Dominion University Norfolk Virginia USA, School of Natural Resources and the Environment, University of Arizona Tucson Arizona USA] (ORCID:0000000244037687)","Scott, Russell L. [Southwest Watershed Research Center, USDA‐Agricultural Research Service Tucson Arizona USA] (ORCID:0000000329875380)","Hu, Jia [School of Natural Resources and the Environment, University of Arizona Tucson Arizona USA] (ORCID:0000000168586659)","MacBean, Natasha [Department of Geography and Environment Western University London Ontario Canada, Department of Biology Western University London Ontario Canada] (ORCID:0000000167974836)","Richardson, Andrew [School of Informatics, Computing, and Cyber Systems, Northern Arizona University Flagstaff Arizona USA, Center for Ecosystem Science and Society, Northern Arizona University Flagstaff Arizona USA] (ORCID:0000000201486714)","Moore, David J. P. [School of Natural Resources and the Environment, University of Arizona Tucson Arizona USA] (ORCID:0000000264623288)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2150-8925","other_identifiers":["Journal ID: ISSN 2150-8925; e4762"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315715"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315715"}]}, {"osti_id":"2319069","title":"Quantifying the compound hazard of freezing rain and wind gusts across CONUS","doi":"10.1088/1748-9326/ad30a4","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Environmental Research Letters","description":"<title>Abstract<\/title>\n <p>The co-occurrence of freezing rain, ice accumulation and wind gusts (FZG) poses a significant hazard to infrastructure and transportation. However, quantification of the frequency and intensity of FZG is challenged by the lack of direct icing measurements. In this work, we evaluate and then apply an energy balance model to high-frequency data collected during 2005-2022 to derive hourly ice accumulation at 883 stations across the contiguous USA. These estimates are combined with wind gust observations to compute time series of hourly FZG hazard magnitude using the Sperry-Piltz Ice Accumulation (SPIA) index. Results are evaluated using Storm Reports of damage and economic disruption. The hourly SPIA estimates are also used to (i) derive a geospatial atlas of the hazard including the 50-year return period event intensities for each US state derived using superstations, and (ii) describe storylines of significant events in terms of meteorological drivers and socioeconomic impacts. The highest values of SPIA during the 18-year study period occur in a region extending from the Southern Great Plains over the Midwest into the densely populated Northeast. States in these regions also have high 50-year return period maximum radial ice accumulation of 3-5 cm and co-occurring wind gusts > 30 ms-1. These values are comparable to past estimates for the 500-year event which may imply this hazard has been previously underestimated. This atlas can be used to inform optimal FZG hazard mitigation strategies for each state/region. <\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"IOP Publishing","journal_name":"Environmental Research Letters","format":"Medium: X","authors":["Coburn, Jacob Jimmie (ORCID:0000000309538117)","Barthelmie, Rebecca","Pryor, Sara C."],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1748-9326","other_identifiers":["Journal ID: ISSN 1748-9326"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319069"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319069"}]}, {"osti_id":"2315069","title":"Quantum oscillations evidence for topological bands in kagome metal ScV\n <sub>6<\/sub>\n Sn\n <sub>6<\/sub>","doi":"10.1088/1361-648X/ad2803","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Physics. Condensed Matter Journal Volume: 36 Journal Issue: 21","description":"<title>Abstract<\/title>\n <p>\n Metals with kagome lattice provide bulk materials to host both the flat-band and Dirac electronic dispersions. A new family of kagome metals is recently discovered in\n <italic>A<\/italic>\n V\n <sub>6<\/sub>\n Sn\n <sub>6<\/sub>\n . The Dirac electronic structures of this material needs more experimental evidence to confirm. In the manuscript, we investigate this problem by resolving the quantum oscillations in both electrical transport and magnetization in ScV\n <sub>6<\/sub>\n Sn\n <sub>6<\/sub>\n . The revealed orbits are consistent with the electronic band structure models. Furthermore, the Berry phase of a dominating orbit is revealed to be around\n <italic>π<\/italic>\n , providing direct evidence for the topological band structure, which is consistent with calculations. Our results demonstrate a rich physics and shed light on the correlated topological ground state of this kagome metal.\n <\/p>","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"IOP Publishing","journal_name":"Journal of Physics. Condensed Matter","journal_issue":"21","journal_volume":"36","format":"Medium: X; Size: Article No. 215501","authors":["Zheng, Guoxin","Zhu, Yuan (ORCID:0000000284308349)","Mozaffari, Shirin (ORCID:0000000344389348)","Mao, Ning","Chen, Kuan-Wen","Jenkins, Kaila (ORCID:0000000326301162)","Zhang, Dechen","Chan, Aaron","Arachchige, Hasitha W. Suriya","Madhogaria, Richa P.","Cothrine, Matthew","Meier, William R. (ORCID:0000000240605093)","Zhang, Yang","Mandrus, David","Li, Lu (ORCID:0000000280547406)"],"article_type":"Published Article","doe_contract_number":"SC0020184","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0953-8984","other_identifiers":["Journal ID: ISSN 0953-8984"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315069"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315069"}]}, {"osti_id":"2320277","title":"Canopy Cover and Microtopography Control Precipitation-Enhanced Thaw of Ecosystem-Protected Permafrost","doi":"10.1088/1748-9326/ad31d7","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Environmental Research Letters","description":"<title>Abstract<\/title>\n <p>Northern high-latitudes are projected to get warmer and wetter, which will affect rates of permafrost thaw and mechanisms by which thaw occurs. To better understand the impact of rain, as well as other factors such as snow depth, canopy cover, and microtopography, we instrumented a degrading permafrost plateau in south-central Alaska with high-resolution soil temperature sensors. The site contains ecosystem-protected permafrost, which persists in unfavorable climates due to favorable ecologic conditions. Our study (2020-2022) captured three of the snowiest years and three of the four wettest years since the site was first studied in 2015. Average thaw rates along an across-site transect increased nine-fold from 6±5 cm/year (2015-2020) to 56±12 cm/year (2020-2022). This thaw was not uniform. Hummock locations, residing on topographic high points with relatively dense canopy, experienced only 8±9 cm/year of thaw, on average. Hollows, topographic low points with low canopy cover, and transition locations, which had canopy cover and elevation between hummocks and hollows, thawed 44±6 cm/year and 39±13 cm/year, respectively. Mechanisms of thaw differed between these locations. Hollows had high warm-season soil moisture, which increased thermal conductivity, and deep cold-season snow coverage, which insulated soil. Transition locations thawed primarily due to thermal energy transported through subsurface taliks during individual rain events. Most increases in depth to permafrost occurred below the ~45 cm thickness seasonally frozen layer, and therefore, expanded site taliks. Results highlight the importance of canopy cover and microtopography in controlling soil thermal inputs, the ability of subsurface runoff from individual rain events to trigger warming and thaw, and the acceleration of thaw caused by consecutive wet and snowy years. As northern high-latitudes become warmer and wetter, and weather events become more extreme, the importance of these controls on soil warming and thaw is likely to increase.<\/p>","publication_date":"2024-03-08T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"IOP Publishing","journal_name":"Environmental Research Letters","format":"Medium: X","authors":["Eklof, Joel (ORCID:000000034840834X)","Jones, Benjamin M. (ORCID:0000000215174711)","Dafflon, Baptiste","Devoie, Elise (ORCID:0000000317528437)","Ring, Katie (ORCID:000000024645621X)","English, Marie","Waldrop, Mark","Neumann, Rebecca B."],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1748-9326","other_identifiers":["Journal ID: ISSN 1748-9326"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320277"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320277"}]}, {"osti_id":"2311919","title":"Optimal Spectral Resolution for Infrared Studies of Solids and Liquids","doi":"10.1177/00037028241231601","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Spectroscopy","description":"<p>\n Due to a legacy originating in the limited capability of early computers, the spectroscopic resolution used in Fourier transform infrared spectroscopy and other systems has largely been implemented using only powers of two for more than 50 years. In this study, we investigate debunking the spectroscopic lore of, e.g., using only 2, 4, 8, or 16 cm\n <sup>−1<\/sup>\n resolution and determine the optimal resolution in terms of both (i) a desired signal-to-noise ratio and (ii) efficient use of acquisition time. The study is facilitated by the availability of solids and liquids reference spectral data recorded at 2.0 cm\n <sup>−1<\/sup>\n resolution and is based on an examination in the 4000–400 cm\n <sup>−1<\/sup>\n range of 61 liquids and 70 solids spectra, with a total analysis of 4237 peaks, each of which was also examined for being singlet/multiplet in nature. Of the 1765 liquid bands examined, only 27 had widths <5 cm\n <sup>−1<\/sup>\n . Of the 2472 solid bands examined, only 39 peaks have widths <5 cm\n <sup>−1<\/sup>\n . For both the liquid and solid bands, a skewed distribution of peak widths was observed: For liquids, the mean peak width was 24.7 cm\n <sup>−1<\/sup>\n but the median peak width was 13.7 cm\n <sup>−1<\/sup>\n , and, similarly, for solids, the mean peak width was 22.2 cm\n <sup>−1<\/sup>\n but the median peak width was 11.2 cm\n <sup>−1<\/sup>\n . While recognizing other studies may differ in scope and limiting the analysis to only room temperature data, we have found that a resolution to resolve 95% of all bands is 5.7 cm\n <sup>−1<\/sup>\n for liquids and 5.3 cm\n <sup>−1<\/sup>\n for solids; such a resolution would capture the native linewidth (not accounting for instrumental broadening) for 95% of all the solids and liquid bands, respectively. After decades of measuring liquids and solids at 4, 8, or 16 cm\n <sup>−1<\/sup>\n resolution, we suggest that, when accounting only for intrinsic linewidths, an optimized resolution of 6.0 cm\n <sup>−1<\/sup>\n will capture 91% of all condensed-phase bands, i.e., broadening of only 9% of the narrowest of bands, but yielding a large gain in signal-to-noise with minimal loss of specificity.\n <\/p>","publication_date":"2024-02-25T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"SAGE Publications","journal_name":"Applied Spectroscopy","format":"Medium: X","authors":["Forland, Brenda M. [Pacific Northwest National Laboratory, Richland, WA, USA] (ORCID:000000032976746X)","Hughey, Kendall D. [Pacific Northwest National Laboratory, Richland, WA, USA] (ORCID:0000000285015425)","Wilhelm, Michael J. [Pacific Northwest National Laboratory, Richland, WA, USA] (ORCID:0000000246349561)","Williams, Olivia N. [Pacific Northwest National Laboratory, Richland, WA, USA]","Cappello, Benjamin F. [Pacific Northwest National Laboratory, Richland, WA, USA] (ORCID:0009000498424481)","Gaspar, Connor L. [Pacific Northwest National Laboratory, Richland, WA, USA] (ORCID:0000000235314283)","Myers, Tanya L. [Pacific Northwest National Laboratory, Richland, WA, USA] (ORCID:0000000189957033)","Sharpe, Steven W. [Pacific Northwest National Laboratory, Richland, WA, USA]","Johnson, Timothy J. [Pacific Northwest National Laboratory, Richland, WA, USA] (ORCID:0000000195146288)"],"article_type":"Published Article","doe_contract_number":"AC05-76RL01830","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0003-7028","other_identifiers":["Journal ID: ISSN 0003-7028; 00037028241231601"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311919"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311919"}]}, {"osti_id":"2311932","title":"Performance of explicit and IMEX MRI multirate methods on complex reactive flow problems within modern parallel adaptive structured grid frameworks","doi":"10.1177/10943420241227914","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: International Journal of High Performance Computing Applications","description":"<p>Large-scale multiphysics simulations are computationally challenging due to the coupling of multiple processes with widely disparate time scales. The advent of exascale computing systems exacerbates these challenges since these systems enable ever-increasing size and complexity. In recent years, there has been renewed interest in developing multirate methods as a means to handle the large range of time scales, as these methods may afford greater accuracy and efficiency than more traditional approaches of using implicit-explicit (IMEX) and low-order operator splitting schemes. However, to date there have been few performance studies that compare different classes of multirate integrators on complex application problems. In this work, we study the performance of several newly developed multirate infinitesimal (MRI) methods, implemented in the SUNDIALS solver package, on two reacting flow model problems built on structured mesh frameworks. The first model revisits prior work on a compressible reacting flow problem with complex chemistry that is implemented using BoxLib but where we now include comparisons between a new explicit MRI scheme with the multirate spectral deferred correction (SDC) methods in the original paper. The second problem uses the same complex chemistry as the first problem, combined with a simplified flow model, but runs at a large spatial scale where explicit methods become infeasible due to stability constraints. Two recently developed IMEX MRI multirate methods are tested. These methods rely on advanced features of the AMReX framework on which the model is built, such as multilevel grids and multilevel preconditioners. The results from these two problems show that MRI multirate methods can offer significant performance benefits on complex multiphysics application problems and that these methods may be combined with advanced spatial discretization to compound the advantages of both.<\/p>","publication_date":"2024-02-25T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"SAGE Publications","journal_name":"International Journal of High Performance Computing Applications","format":"Medium: X","authors":["Loffeld, John J. [Center for Applied Scientific Computing, Lawrence Livermore National Laboratory, Livermore, CA, USA] (ORCID:0000000177207155)","Nonaka, Andy [Center for Computational Sciences and Engineering, Lawrence Berkeley National Laboratory, Berkeley, CA, USA] (ORCID:0000000317910265)","Reynolds, Daniel R. [Department of Mathematics, Southern Methodist University, Dallas, TX, USA] (ORCID:0000000209117841)","Gardner, David J. [Center for Applied Scientific Computing, Lawrence Livermore National Laboratory, Livermore, CA, USA] (ORCID:0000000279938282)","Woodward, Carol S. [Center for Applied Scientific Computing, Lawrence Livermore National Laboratory, Livermore, CA, USA] (ORCID:0000000265028659)"],"article_type":"Published Article","doe_contract_number":"Scientific Discovery through Advanced Computing (SciDAC)","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1094-3420","other_identifiers":["Journal ID: ISSN 1094-3420; 10943420241227914"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311932"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311932"}]}, {"osti_id":"2319167","title":"Spin frustration and an exotic critical point in ferromagnets from nonuniform opposite <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mi>g<\/mml:mi><\/mml:math> factors","report_number":"BNL-225361-2024-JAAM","doi":"10.1103/physrevb.109.054427","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 5","description":"Here, it is demonstrated that novel spin frustration can be induced in ferromagnets with nonuniform opposite Landé g-factors. The frustrated state is characterized by a mutual interplay of typical ferromagnetic (FM) and antiferromagnetic (AF) features, such as the zero-field susceptibility being FM-like at low temperatures but AF-like at high temperatures. It is also found to contain an exotic zero-temperature \'half fire, half ice\' critical point at which the spins on one sublattice are fully disordered and on the other one are fully ordered. We suggest that such frustration may occur in a number of copper-iridium oxides such as Sr<sub>3<\/sub>CuIrO<sub>6<\/sub>. We also anticipate a realization of the frustration and \'partial fire, partial ice\' states in certain antiferromagnets, lattice gas, and neuron systems.","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"5","journal_volume":"109","format":"Medium: ED; Size: Article No. 054427","authors":["Yin, Weiguo [Brookhaven National Laboratory (BNL), Upton, NY (United States)] (ORCID:0000000249655329)","Roth, Christopher R. [Brookhaven National Laboratory (BNL), Upton, NY (United States)]","Tsvelik, Alexei M. [Brookhaven National Laboratory (BNL), Upton, NY (United States)]"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0012704; AC02-98CH10886","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319167"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319167"}]}, {"osti_id":"2322503","title":"Field experiments show no consistent reductions in soil microbial carbon in response to warming","report_number":"PNNL-SA-181067","doi":"10.1038/s41467-024-45508-4","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nature Communications; Journal Volume: 15; Journal Issue: 1","description":"Soil microbes play an essential role in maintaining soil functions and services, but the dynamics of soil microbial biomass carbon (MBC) under global climate change remain unclear. Recently, Patoine et al. combined a global MBC data set with Random Forest modeling and reported that global MBC decreased over 1992–2013, mainly driven by increasing temperatures. Contrarily, using MBC field observations from soil warming manipulation experiments and in-situ long-term measurements across the globe, we found that MBC showed no significant changes under soil warming. Our findings indicate that soil MBC is unlikely to have decreased significantly due to the global warming of 0.28 °C during 1992–2013, and that further mechanistic studies are needed to understand potential changes in MBC under climate change.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: ED; Size: Article No. 1731","authors":["Yue, Chao [Northwest A & F University, Yangling (China)] (ORCID:000000030026237X)","Jian, Jinshi [Northwest A & F University, Yangling (China); Chinese Academy of Sciences and Ministry of Water Resource, Yangling, Shaanxi (China)] (ORCID:0000000252725367)","Ciais, Philippe [University Paris-Saclay, Gif-sur-Yvette (France)]","Ren, Xiaohua [Northwest A & F University, Yangling (China)]","Jiao, Juying [Northwest A & F University, Yangling (China); Chinese Academy of Sciences and Ministry of Water Resource, Yangling, Shaanxi (China)] (ORCID:0000000314137190)","An, Shaoshan [Northwest A & F University, Yangling (China); Chinese Academy of Sciences and Ministry of Water Resource, Yangling, Shaanxi (China)]","Li, Yu [Northwest A & F University, Yangling (China)]","Wu, Jie [Northwest A & F University, Yangling (China)]","Zhang, Pengyi [Northwest A & F University, Yangling (China)]","Bond-Lamberty, Ben [Pacific Northwest National Laboratory (PNNL), College Park, MD (United States). Joint Global Change Research Institute] (ORCID:0000000195254633)"],"subjects":["carbon cycle","environmental health"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; XDB40000000; 2019QZKK0603; 42077072","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"Chinese Academy of Sciences"},{"name":"Second Tibetan Plateau Scientific Expedition and Research Program (STEP)"},{"name":"National Natural Science Foundation of China (NSFC)"}],"sponsor_orgs":["USDOE Office of Science (SC)","Chinese Academy of Sciences","Second Tibetan Plateau Scientific Expedition and Research Program (STEP)","National Natural Science Foundation of China (NSFC)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322503"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2322503"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322503"}]}, {"osti_id":"2315750","title":"Development and Evaluation of Ensemble Learning-based Environmental Methane Detection and Intensity Prediction Models","doi":"10.1177/11786302241227307","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Environmental Health Insights Journal Volume: 18","description":"<p>\n The environmental impacts of global warming driven by methane (CH\n <sub>4<\/sub>\n ) emissions have catalyzed significant research initiatives in developing novel technologies that enable proactive and rapid detection of CH\n <sub>4<\/sub>\n . Several data-driven machine learning (ML) models were tested to determine how well they identified fugitive CH\n <sub>4<\/sub>\n and its related intensity in the affected areas. Various meteorological characteristics, including wind speed, temperature, pressure, relative humidity, water vapor, and heat flux, were included in the simulation. We used the ensemble learning method to determine the best-performing weighted ensemble ML models built upon several weaker lower-layer ML models to (i) detect the presence of CH\n <sub>4<\/sub>\n as a classification problem and (ii) predict the intensity of CH\n <sub>4<\/sub>\n as a regression problem. The classification model performance for CH\n <sub>4<\/sub>\n detection was evaluated using accuracy, F1 score, Matthew’s Correlation Coefficient (MCC), and the area under the receiver operating characteristic curve (AUC ROC), with the top-performing model being 97.2%, 0.972, 0.945 and 0.995, respectively. The R\n <sup> 2<\/sup>\n score was used to evaluate the regression model performance for CH\n <sub>4<\/sub>\n intensity prediction, with the R\n <sup> 2<\/sup>\n score of the best-performing model being 0.858. The ML models developed in this study for fugitive CH\n <sub>4<\/sub>\n detection and intensity prediction can be used with fixed environmental sensors deployed on the ground or with sensors mounted on unmanned aerial vehicles (UAVs) for mobile detection.\n <\/p>","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"SAGE Publications","journal_name":"Environmental Health Insights","journal_volume":"18","format":"Medium: X","authors":["Majumder, Reek [Glenn Department of Civil Engineering, Clemson University, Clemson, SC, USA]","Pollard, Jacquan [Glenn Department of Civil Engineering, Clemson University, Clemson, SC, USA]","Salek, M. Sabbir [Glenn Department of Civil Engineering, Clemson University, Clemson, SC, USA]","Werth, David [Savannah River National Laboratory, Aiken, SC, USA]","Comert, Gurcan [Comp. Sci., Phy., and Engineering Department, Benedict College, Columbia, SC, USA]","Gale, Adrian [Comp. Sci., Phy., and Engineering Department, Benedict College, Columbia, SC, USA]","Khan, Sakib Mahmud [Glenn Department of Civil Engineering, Clemson University, Clemson, SC, USA]","Darko, Samuel [School of Arts and Sciences, Florida Memorial University, Miami Gardens, FL, USA]","Chowdhury, Mashrur [Glenn Department of Civil Engineering, Clemson University, Clemson, SC, USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1178-6302","other_identifiers":["Journal ID: ISSN 1178-6302; 11786302241227307"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315750"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315750"}]}, {"osti_id":"2311918","title":"Monte Carlo Simulation of Electron Interactions in an MeV-STEM for Thick Frozen Biological Sample Imaging","report_number":"BNL-225350-2024-JAAM","doi":"10.3390/app14051888","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Applied Sciences Journal Volume: 14 Journal Issue: 5","description":"<p>A variety of volume electron microscopy techniques have been developed to visualize thick biological samples. However, the resolution is limited by the sliced section thickness (>30–60 nm). To preserve biological samples in a hydrated state, cryo-focused ion beam scanning electron microscopy has been developed, providing nm resolutions. However, this method is time-consuming, requiring 15–20 h to image a 10 μm thick sample with an 8 nm slice thickness. There is a pressing need for a method that allows the rapid and efficient study of thick biological samples while maintaining nanoscale resolution. The remarkable ability of mega-electron-volt (MeV) electrons to penetrate thick biological samples, even exceeding 10 μm in thickness, while maintaining nanoscale resolution, positions MeV-STEM as a suitable microscopy tool for such applications. Our research delves into understanding the interactions between MeV electrons and frozen biological specimens through Monte Carlo simulations. Single elastic scattering, plural elastic scattering, single inelastic scattering, and plural inelastic scattering events have been simulated. The electron trajectories, the beam profile, and the intensity change of electrons in each category have been investigated. Additionally, the effects of the detector collection angle and the focal position of the electron beam were investigated. As electrons penetrated deeper into the specimen, single and plural elastic scattered electrons diminished, and plural inelastic scattered electrons became dominant, and the beam profile became wider. Even after 10 μm of the specimen, 42% of the MeV electrons were collected within 10 mrad. This confirms that MeV-STEM can be employed to study thick biological samples.<\/p>","publication_date":"2024-02-25T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"MDPI AG","journal_name":"Applied Sciences","journal_issue":"5","journal_volume":"14","format":"Medium: X; Size: Article No. 1888","authors":["Wang, Liguo","Yang, Xi"],"subjects":["36 MATERIALS SCIENCE","Monte Carlo simulation","MeV-STEM","thick biological samples","nanometer resolution","electron specimen interaction"],"article_type":"Published Article","doe_contract_number":"KP1607011; SC0012704; 22-029","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","USDOE Office of Science (SC), Biological and Environmental Research (BER)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)"],"journal_issn":"ISSN 2076-3417","other_identifiers":["Journal ID: ISSN 2076-3417; ASPCC7; PII: app14051888"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311918"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311918"}]}, {"osti_id":"2311905","title":"Offshore application of landslide susceptibility mapping using gradient-boosted decision trees: a Gulf of Mexico case study","doi":"10.1007/s11069-024-06492-6","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Natural Hazards","description":"<title>Abstract<\/title>\n <p>Among natural hazards occurring offshore, submarine landslides pose a significant risk to offshore infrastructure installations attached to the seafloor. With the offshore being important for current and future energy production, there is a need to anticipate where future landslide events are likely to occur to support planning and development projects. Using the northern Gulf of Mexico (GoM) as a case study, this paper performs Landslide Susceptibility Mapping (LSM) using a gradient-boosted decision tree (GBDT) model to characterize the spatial patterns of submarine landslide probability over the United States Exclusive Economic Zone (EEZ) where water depths are greater than 120 m. With known spatial extents of historic submarine landslides and a Geographic Information System (GIS) database of known topographical, geomorphological, geological, and geochemical factors, the resulting model was capable of accurately forecasting potential locations of sediment instability. Results of a permutation modelling approach indicated that LSM accuracy is sensitive to the number of unique training locations with model accuracy becoming more stable as the number of training regions was increased. The influence that each input feature had on predicting landslide susceptibility was evaluated using the SHapely Additive exPlanations (SHAP) feature attribution method. Areas of high and very high susceptibility were associated with steep terrain including salt basins and escarpments. This case study serves as an initial assessment of the machine learning (ML) capabilities for producing accurate submarine landslide susceptibility maps given the current state of available natural hazard-related datasets and conveys both successes and limitations.<\/p>","publication_date":"2024-02-24T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Natural Hazards","format":"Medium: X","authors":["Dyer, Alec S. (ORCID:0000000219813904)","Mark-Moser, MacKenzie (ORCID:0000000151385527)","Duran, Rodrigo (ORCID:0000000225765531)","Bauer, Jennifer R. (ORCID:0000000337771725)"],"article_type":"Published Article","doe_contract_number":"FWP 1025020","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0921-030X","other_identifiers":["Journal ID: ISSN 0921-030X; PII: 6492"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311905"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311905"}]}, {"osti_id":"2320385","title":"Path-BigBird: An AI-Driven Transformer Approach to Classification of Cancer Pathology Reports","doi":"10.1200/cci.23.00148","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: JCO Clinical Cancer Informatics; Journal Volume: 8","description":"PURPOSE Surgical pathology reports are critical for cancer diagnosis and management. To accurately extract information about tumor characteristics from pathology reports in near real time, we explore the impact of using domain-specific transformer models that understand cancer pathology reports. METHODS We built a pathology transformer model, Path-BigBird, by using 2.7 million pathology reports from six SEER cancer registries. We then compare different variations of Path-BigBird with two less computationally intensive methods: Hierarchical Self-Attention Network (HiSAN) classification model and an offthe-shelf clinical transformer model (Clinical BigBird). We use five pathology information extraction tasks for evaluation: site, subsite, laterality, histology, and behavior. Model performance is evaluated by using macro and micro F<sub>1<\/sub> scores. RESULTS We found that Path-BigBird and Clinical BigBird outperformed the HiSAN in all tasks. Clinical BigBird performed better on the site and laterality tasks. Versions of the Path-BigBird model performed best on the two most difficult tasks: subsite (micro F<sub>1<\/sub> score of 72.53, macro F<sub>1<\/sub> score of 35.76) and histology (micro F<sub>1<\/sub> score of 80.96, macro F<sub>1<\/sub> score of 37.94). The largest performance gains over the HiSAN model were for histology, for which a Path-BigBird model increased the micro F<sub>1<\/sub> score by 1.44 points and the macro F<sub>1<\/sub> score by 3.55 points. Overall, the results suggest that a Path-BigBird model with a vocabulary derived from wellcurated and deidentified data is the best-performing model. CONCLUSION The Path-BigBird pathology transformer model improves automated information extraction from pathology reports. Although Path-BigBird outperforms Clinical BigBird and HiSAN, these less computationally expensive models still have utility when resources are constrained.","publication_date":"2024-02-27T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","journal_name":"JCO Clinical Cancer Informatics","journal_volume":"8","format":"Medium: ED; Size: Article No. e2300148","authors":["Chandrashekar, Mayanka [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000236975972)","Lyngaas, Isaac [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000216824309)","Hanson, Heidi A. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Gao, Shang [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000318031457)","Wu, Xiao-Cheng [Louisiana State Univ., Baton Rouge, LA (United States)] (ORCID:0000000336635027)","Gounley, John [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000184244982)"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; AC52-06NA25396; AC52-07NA27344; AC0206-CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Office of Science (SC)","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"},{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"},{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States)","Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)","Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 2473-4276","other_identifiers":["Journal ID: ISSN 2473-4276"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320385"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2320385"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320385"}]}, {"osti_id":"2315007","title":"Designed metal-insulator transition in low-symmetry magnetic intermetallics","report_number":"IS-J-11,276","doi":"10.1103/physrevb.109.064207","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 6","description":"Compounds exhibiting half-metallic character and metal-insulator transitions draw considerable attention in condensed-matter and materials physics due to their potential use in spintronics. Here we show that specific electron doping plays a crucial role in tailoring thermodynamic, structural, electronic, and magnetic properties of materials derived from low-symmetry magnetic intermetallics, exemplified on triclinic Mn<sub>4<\/sub>Al<sub>11<\/sub>. Upon chemical doping of Al by Ge, we predict improved phase stability and adherence to a generalized “18-n rule” governing closed-shell configurations in intermetallic with narrow bandgaps. Validating experiments include measurements of phase stability and electronic transport properties of electron-doped Mn<sub>4<\/sub>Al<sub>10<\/sub>Ge that crystallizes in the Mn<sub>4<\/sub>Al<sub>11<\/sub>-type structure, confirming the bandgap opening as predicted by chemical analysis and density-functional theory. Here we also demonstrate theoretically that hydrostatic pressure enhances the predicted half-metallic gap in the up-spin channel, which leads to a ferrimagnetic-to-ferromagnetic transition driven by Mn-Mn charge ordering in the Mn<sub>4<\/sub>Al<sub>11<\/sub> parent. We have also discussed the generality of our approach in predicting the design of other classes of intermetallics including half and full Heusler compounds.","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"6","journal_volume":"109","format":"Medium: ED; Size: Article No. 064207","authors":["Singh, Prashant [Ames Laboratory (AMES), Ames, IA (United States)] (ORCID:0000000234609290)","Del Rose, Tyler [Ames Laboratory, and Iowa State University, Ames, IA (United States)] (ORCID:0000000169318437)","Mudryk, Yaroslav [Ames Laboratory (AMES), Ames, IA (United States)] (ORCID:0000000326580413)","Pecharsky, Vitalij K. [Ames Laboratory, and Iowa State University, Ames, IA (United States)]","Johnson, Duane D. [Ames Laboratory, and Iowa State University, Ames, IA (United States)] (ORCID:0000000307947283)"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY","electronic structure","ferrimagnetism","density functional theory","magnetic techniques","resistivity measurements","scanning electron microscopy"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315007"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315007"}]}, {"osti_id":"2311931","title":"Increased leaf area index and efficiency drive enhanced production under elevated atmospheric [\n <scp>\n CO\n <sub>2<\/sub>\n <\/scp>\n ] in a pine‐dominated stand showing no progressive nitrogen limitation","doi":"10.1111/gcb.17190","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Global Change Biology Journal Volume: 30 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Enhancement of net primary production (NPP) in forests as atmospheric [CO\n <sub>2<\/sub>\n ] increases is likely limited by the availability of other growth resources. The Duke Free Air CO\n <sub>2<\/sub>\n Enrichment (FACE) experiment was located on a moderate‐fertility site in the southeastern US, in a loblolly pine (\n <italic>Pinus taeda<\/italic>\n L.) plantation with broadleaved species growing mostly in mid‐canopy and understory. Duke FACE ran from 1994 to 2010 and combined elevated [CO\n <sub>2<\/sub>\n ] (eCO\n <sub>2<\/sub>\n ) with nitrogen (N) additions. We assessed the spatial and temporal variation of NPP response using a dataset that includes previously unpublished data from 6 years of the replicated CO\n <sub>2<\/sub>\n × N experiment and extends to 2 years beyond the termination of enrichment. Averaged over time (1997–2010), NPP of pine and broadleaved species were 38% and 52% higher under eCO\n <sub>2<\/sub>\n compared to ambient conditions. Furthermore, there was no evidence of a decline in enhancement over time in any plot regardless of its native site quality. The relation between spatial variation in the response and native site quality was suggested but inconclusive. Nitrogen amendments under eCO\n <sub>2<\/sub>\n , in turn, resulted in an additional 11% increase in pine NPP. For pine, the eCO\n <sub>2<\/sub>\n ‐induced increase in NPP was similar above‐ and belowground and was driven by both increased leaf area index (\n <italic>L<\/italic>\n ) and production efficiency (PE = NPP/\n <italic>L<\/italic>\n ). For broadleaved species, coarse‐root biomass production was more than 200% higher under eCO\n <sub>2<\/sub>\n and accounted for the entire production response, driven by increased PE. Notably, the fraction of annual NPP retained in total living biomass was higher under eCO\n <sub>2<\/sub>\n , reflecting a slight shift in allocation fraction to woody mass and a lower mortality rate. Our findings also imply that tree growth may not have been only N‐limited, but perhaps constrained by the availability of other nutrients. The observed sustained NPP enhancement, even without N‐additions, demonstrates no progressive N limitation.\n <\/p>","publication_date":"2024-02-25T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"Global Change Biology","journal_issue":"2","journal_volume":"30","format":"Medium: X","authors":["Palmroth, S. [Nicholas School of the Environment &, Pratt School of Engineering Duke University Durham North Carolina USA, Department of Forest Sciences University of Helsinki Helsinki Finland] (ORCID:0000000212904280)","Kim, D. [Department of Geography State University of New York at Buffalo Buffalo New York USA] (ORCID:0000000264998370)","Maier, C. A. [USDA Forest Service, Southern Research Station Research Triangle Park North Carolina USA] (ORCID:0000000180252432)","Medvigy, D. [Department of Biological Sciences University of Notre Dame Notre Dame Indiana USA] (ORCID:0000000230763071)","Walker, A. P. [Environmental Sciences Division, Climate Change Science Institute, Oak Ridge National Laboratory Oak Ridge Tennessee USA] (ORCID:0000000305575594)","Oren, R. [Nicholas School of the Environment &, Pratt School of Engineering Duke University Durham North Carolina USA, Department of Forest Sciences University of Helsinki Helsinki Finland] (ORCID:0000000256541733)"],"article_type":"Published Article","doe_contract_number":"DE‐AC05‐00OR22725","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1354-1013","other_identifiers":["Journal ID: ISSN 1354-1013; e17190"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311931"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311931"}]}, {"osti_id":"2318768","title":"Theoretical Understanding of Effects of Operating Modes on the Performance Durability of Solid Oxide Cells: A Comparison between Potentiostatic and Galvanostatic Operations","doi":"10.1149/1945-7111/ad3059","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society","description":"<title>Abstract<\/title>\n <p>In solid oxide cells (SOCs), the choice of operating mode, specifically between galvanostatic and potentiostatic, has negligible impact when the properties of the cell components remain unchanged, leading to stable cell performance without degradation. However, when there are changes in the cell properties, the chosen operating mode becomes a critical factor influencing the performance and durability of SOCs. The aim of this paper is to investigate the effects of these operating modes on the changing properties of SOC components and, consequently, on their performance durability. To achieve this, we utilize nonequilibrium thermodynamic analysis, a method crucial for comprehending the degradation processes occurring within these electrochemical devices. Key findings include: \tIn cases where oxygen electrode (OE) degradation is accelerated by the higher partial pressure of oxygen pO2, operating under constant voltage electrolysis can prevent high pO2 at the OE|electrolyte (OE|EL) interface. \tConversely, if OE degradation occurs more rapidly under lower p_(O_2 ), constant current electrolysis is more effective in sustaining high pO2 at the OE|EL interface during degradation. \tFor fuel electrode (FE) degradation favored by higher pO2, constant current electrolysis helps maintain low pO2 at the FE|EL interface. When FE degradation is expedited by lower pO2, potentiostatic electrolysis can avert it.<\/p>","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"Journal of the Electrochemical Society","format":"Medium: X","authors":["Wang, Yudong (ORCID:0000000234965076)","Zhou, Xiao-Dong (ORCID:0000000199349429)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318768"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318768"}]}, {"osti_id":"2319243","title":"Recent Advanced Reactor Multiphysics Model Highlights in the Virtual Test Bed (VTB)","report_number":"INL/CON-23-75385-Rev000","product_type":"Conference","language":"English","country_publication":"United States","relation":"Conference: PHYSOR 2024, San Fransisco, 10/31/2023 - 10/31/2023","description":"The Virtual Test Bed (VTB) host over 30 distinct simulations that showcase state-of-the art capabilities across the national lab complex. An update on the status of models on the VTB is summarized here, along with a more detailed overview of select recent new capabilities to showcase. All of the major advanced reactor types are represented in the VTB. The first example consists of a multiphysics simulation to track the transport of species in Molten Salt Reactors using depletion, advection, and thermochemical calculations. The second consists of a coupled neutronic and thermal hydraulic simulation to validate a gas cooled reactor. The third consist of pebble-bed equilibrium model for a fluoride high-temperature reactor. The fourth is a high-fidelity neutronic and thermal hydraulic model of a liquid metal reactor assembly. And lastly the fifth consists of transient multiphysics simulations of heat pipe microreactors.","publication_date":"2024-04-20T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","format":"Medium: ED","authors":["Abou Jaoude, Abdalla [Idaho National Laboratory] (ORCID:0000000330228463)","Walker, Samuel Austin [Idaho National Laboratory]","Stauff, Nicolas [Argonne National Laboratory]","Park, Hansol [Argonne National Laboratory]","Yu, Yiqi [Argonne National Laboratory]","Shemon, Emily [Argonne National Laboratory]","Giudicelli, Guillaume Louis [Idaho National Laboratory]"],"subjects":["22 - GENERAL STUDIES OF NUCLEAR REACTORS","multiphysics","advanced reactors","modeling and simulation"],"doe_contract_number":"DE-AC07-05ID14517","orgs_sponsor":[{"name":"58"}],"sponsor_orgs":["58"],"orgs_research":[{"name":"Idaho National Laboratory (INL), Idaho Falls, ID (United States)"}],"research_orgs":["Idaho National Laboratory (INL), Idaho Falls, ID (United States)"],"conference_info":"Conference: PHYSOR 2024, San Fransisco, 10/31/2023 - 10/31/2023","links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319243"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2319243"}]}, {"osti_id":"2323581","title":"Curves, Coriolis, and Cross-Channel Circulation in the Hudson River Estuary","doi":"10.1175/JPO-D-23-0093.1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Oceanography Journal Volume: 54 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Despite its relatively small magnitude, cross-channel circulation in estuaries can influence the along-channel momentum balance, dispersion, and transport. We investigate spatial and temporal variation in cross-channel circulation at two contrasting sites in the Hudson River estuary. The two sites differ in the relative strength and direction of Coriolis and curvature forcing. We contrast the patterns and magnitudes of flow at the two sites during varying conditions in stratification driven by tidal amplitude and river discharge. We found well-defined flows during flood tides at both sites, characterized by mainly two-layer structures when the water column was more homogeneous and structures with three or more layers when the water column was more stratified. Ebb tides had generally weaker and less definite flows, except at one site where curvature and Coriolis reinforced each other during spring tide ebbs. Cross-channel currents had similar patterns, but were oppositely directed at the two sites, demonstrating the importance of curvature even in channels with relatively gradual curves. Coriolis and curvature dominated the measured terms in the cross-channel momentum balance. Their combination was generally consistent with driving the observed patterns and directions of flow, but local acceleration and cross-channel advection made some notable contributions. A large residual in the momentum balance indicates that some combination of vertical stress divergence, baroclinic pressure gradients, and along-channel and vertical advection must play an essential role, but data limitations prevented an accurate estimation of these terms. Cross-channel advection affected the along-channel momentum balance at times, with implications for the exchange flow’s strength.<\/p>\n <sec>\n <title>Significance Statement<\/title>\n <p>Currents that flow across the channel in an estuary move slower than those flowing along the channel, but they can transport materials and change water properties in important ways, affecting human uses of estuaries such as shipping, aquaculture, and recreation. We wanted to better understand cross-channel currents in the Hudson River estuary. We found that larger tides produced the strongest cross-channel currents with a two-layer pattern, compared to weaker currents with three layers during smaller tides. Higher or lower river flow also affected current strength. Comparing two locations, we saw cross-channel currents moving in opposite directions because of differences in the curvature of the river channel. Our results show how channel curvature and Earth’s rotation combine to produce cross-channel currents.<\/p>\n <\/sec>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"American Meteorological Society","journal_name":"Journal of Physical Oceanography","journal_issue":"3","journal_volume":"54","format":"Medium: X; Size: p. 967-984","authors":["Conley, Margaret M. [a Oregon State University, Corvallis, Oregon]","Lerczak, James A. [a Oregon State University, Corvallis, Oregon]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-3670","other_identifiers":["Journal ID: ISSN 0022-3670"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323581"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323581"}]}, {"osti_id":"2316075","title":"Updraft Width Implications for Cumulonimbus Growth in a Moist Marine Environment","doi":"10.1175/JAS-D-23-0065.1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Atmospheric Sciences Journal Volume: 81 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>An idealized large-eddy simulation of a tropical marine cloud population was performed. At any time, it contained hundreds of clouds, and updraft width in shallow convection emerging from a subcloud layer appeared to be an important indicator of whether specific convective elements deepened. In an environment with 80%–90% relative humidity below the 0°C level, updrafts that penetrated the 0°C level were larger at and above cloud base, which occurred at the lifting condensation level near 600 m. Parcels rising in these updrafts appeared to emerge from boundary layer eddies that averaged ∼200 m wider than those in clouds that only reached 1.5–3 km height. The deeply ascending parcels (growers) possessed statistically similar values of effective buoyancy below the level of free convection (LFC) as parcels that began to ascend in a cloud but stopped before reaching 3000 m (nongrowers). The growers also experienced less dilution above the LFC. Nongrowers were characterized by negative effective buoyancy and rapid deceleration above the LFC, while growers continued to accelerate well above the LFC. Growers occurred in areas with a greater magnitude of background convergence (or weaker divergence) in the subcloud layer, especially between 300 m and cloud base, but whether the convergence actually led to eddy widening is unclear.<\/p>\n <sec>\n <title>Significance Statement<\/title>\n <p>Cumulonimbus clouds are responsible for many extreme weather phenomena and are important contributors to Earth’s energy balance. However, the processes leading to the growth of individual clouds are not completely understood nor well-represented in weather prediction models. We find that the clouds containing updrafts that start out wider at early stages of their life cycles grow taller, possibly because they are protected more from drier air outside the cloud than narrow clouds. In addition, this work shows how the initial width of clouds might be related to convergence in the lowest part of the atmosphere, at heights where clouds initially develop. However, meteorologists must be careful not to overinterpret these results because numerical simulations inherently include assumptions that may not reflect reality. This reinforces the need to also observe processes occurring at the scales of individual clouds.<\/p>\n <\/sec>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Meteorological Society","journal_name":"Journal of the Atmospheric Sciences","journal_issue":"3","journal_volume":"81","format":"Medium: X; Size: p. 629-648","authors":["Powell, Scott W. [a Department of Meteorology, Naval Postgraduate School, Monterey, California]"],"subjects":["54 ENVIRONMENTAL SCIENCES","Clouds","Convective clouds","Cumulus clouds","Large eddy simulations"],"article_type":"Published Article","contributing_org":"Pacific Northwest National Laboratory (PNNL); Argonne National Laboratory (ANL); Brookhaven National Laboratory (BNL)","doe_contract_number":"89243021SSC000077; N0001421WX01472; N0001422WX1021; N0001423WX00360","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"US Department of the Navy, Office of Naval Research (ONR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","US Department of the Navy, Office of Naval Research (ONR)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"],"journal_issn":"ISSN 0022-4928","other_identifiers":["Journal ID: ISSN 0022-4928"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316075"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316075"}]}, {"osti_id":"2293616","title":"Understanding the Spatiotemporal Variability of Tropical Orographic Rainfall Using Convective Plume Buoyancy","doi":"10.1175/JCLI-D-23-0340.1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Climate Journal Volume: 37 Journal Issue: 5","description":"<title>Abstract<\/title>\n <p>Mechanical forcing by orography affects precipitating convection across many tropical regions, but controls on the intensity and horizontal extent of the orographic precipitation peak and rain shadow remain poorly understood. A recent theory explains this control of precipitation as arising from modulation of lower-tropospheric temperature and moisture by orographic mechanical forcing, setting the distribution of convective rainfall by controlling parcel buoyancy. Using satellite and reanalysis data, we evaluate this theory by investigating spatiotemporal precipitation variations in six mountainous tropical regions spanning South and Southeast Asia, and the Maritime Continent. We show that a strong relationship holds in these regions between daily precipitation and a measure of convective plume buoyancy. This measure depends on boundary layer thermodynamic properties and lower-free-tropospheric moisture and temperature. Consistent with the theory, temporal variations in lower-free-tropospheric temperature are primarily modulated by orographic mechanical lifting through changes in cross-slope wind speed. However, winds directed along background horizontal moisture gradients also influence lower-tropospheric moisture variations in some regions. The buoyancy measure is also shown to explain many aspects of the spatial patterns of precipitation. Finally, we present a linear model with two horizontal dimensions that combines mountain wave dynamics with a linearized closure exploiting the relationship between precipitation and plume buoyancy. In some regions, this model skillfully captures the spatial structure and intensity of rainfall; it underestimates rainfall in regions where time-mean ascent in large-scale convergence zones shapes lower-tropospheric humidity. Overall, these results provide new understanding of fundamental processes controlling subseasonal and spatial variations in tropical orographic precipitation.<\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Meteorological Society","journal_name":"Journal of Climate","journal_issue":"5","journal_volume":"37","format":"Medium: X; Size: p. 1737-1757","authors":["Nicolas, Quentin [a Department of Earth and Planetary Science, University of California, Berkeley, Berkeley, California] (ORCID:000000024116973X)","Boos, William R. [a Department of Earth and Planetary Science, University of California, Berkeley, Berkeley, California, b Climate and Ecosystem Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0894-8755","other_identifiers":["Journal ID: ISSN 0894-8755"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293616"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293616"}]}, {"osti_id":"2322589","title":"Improved Diagnosis of Precipitation Type with LightGBM Machine Learning","doi":"10.1175/JAMC-D-23-0117.1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Applied Meteorology and Climatology Journal Volume: 63 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n Existing precipitation-type algorithms have difficulty discerning the occurrence of freezing rain and ice pellets. These inherent biases are not only problematic in operational forecasting but also complicate the development of model-based precipitation-type climatologies. To address these issues, this paper introduces a novel light gradient-boosting machine (LightGBM)-based machine learning precipitation-type algorithm that utilizes reanalysis and surface observations. By comparing it with the Bourgouin precipitation-type algorithm as a baseline, we demonstrate that our algorithm improves the critical success index (CSI) for all examined precipitation types. Moreover, when compared with the precipitation-type diagnosis in reanalysis, our algorithm exhibits increased F1 scores for snow, freezing rain, and ice pellets. Subsequently, we utilize the algorithm to compute a freezing-rain climatology over the eastern United States. The resulting climatology pattern aligns well with observations; however, a significant mean bias is observed. We interpret this bias to be influenced by both the algorithm itself and assumptions regarding precipitation processes, which include biases associated with freezing drizzle, precipitation occurrence, and regional synoptic weather patterns. To mitigate the overall bias, we propose increasing the precipitation cutoff from 0.04 to 0.25 mm h\n <sup>−1<\/sup>\n , as it better reflects the precision of precipitation observations. This adjustment yields a substantial reduction in the overall bias. Finally, given the strong performance of LightGBM in predicting mixed precipitation episodes, we anticipate that the algorithm can be effectively utilized in operational settings and for diagnosing precipitation types in climate model outputs.\n <\/p>\n <sec>\n <title>Significance Statement<\/title>\n <p>\n Freezing rain can have significant impacts on transportation and infrastructure, making accurate prediction of precipitation types crucial. In this study, we use a machine learning method known as LightGBM to predict precipitation types. We show that the new algorithm performs better than the existing methods for all precipitation types examined. Additionally, we compute a freezing-rain climatology over the eastern United States. Although the resulting climatology pattern corresponds well to observations, the algorithm overpredicts freezing-rain occurrence. We argue that this bias can be substantially reduced by increasing the precipitation cutoff from 0.04 to 0.25 mm h\n <sup>−1<\/sup>\n . Overall, this work highlights the potential of the LightGBM algorithm for both weather forecasting and diagnosing precipitation types in climate models.\n <\/p>\n <\/sec>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"American Meteorological Society","journal_name":"Journal of Applied Meteorology and Climatology","journal_issue":"3","journal_volume":"63","format":"Medium: X; Size: p. 437-453","authors":["Zhuang, Haoyu (Richard) [a Department of Earth and Atmospheric Sciences, Cornell University, Ithaca, New York] (ORCID:0009000796599394)","Lehner, Flavio [a Department of Earth and Atmospheric Sciences, Cornell University, Ithaca, New York, b Climate and Global Dynamics Laboratory, National Center for Atmospheric Research, Boulder, Colorado, c Polar Bears International, Bozeman, Montana]","DeGaetano, Arthur T. [a Department of Earth and Atmospheric Sciences, Cornell University, Ithaca, New York, d Northeast Regional Climate Center, Cornell University, Ithaca, New York]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1558-8424","other_identifiers":["Journal ID: ISSN 1558-8424"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322589"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322589"}]}, {"osti_id":"2311131","title":"Radiative Particle-in-Cell Simulations of Turbulent Comptonization in Magnetized Black-Hole Coronae","doi":"10.1103/physrevlett.132.085202","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters; Journal Volume: 132; Journal Issue: 8","description":"We report results from the first radiative particle-in-cell simulations of strong Alfvénic turbulence in plasmas of moderate optical depth. The simulations are performed in a local 3D periodic box and self-consistently follow the evolution of radiation as it interacts with a turbulent electron-positron plasma via Compton scattering. We focus on the conditions expected in magnetized coronae of accreting black holes and obtain an emission spectrum consistent with the observed hard state of Cyg X-1. Most of the turbulence power is transferred directly to the photons via bulk Comptonization, shaping the peak of the emission around 100 keV. The rest is released into nonthermal particles, which generate the MeV spectral tail. As a result, the method presented here shows promising potential for ab initio modeling of various astrophysical sources and opens a window into a new regime of kinetic plasma turbulence.","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review Letters","journal_issue":"8","journal_volume":"132","format":"Medium: ED; Size: Article No. 085202","authors":["Grošelj, Daniel [KU Leuven (Belgium); Columbia University, New York, NY (United States)] (ORCID:0000000254083046)","Hakobyan, Hayk [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States); Columbia University, New York, NY (United States)] (ORCID:0000000189396862)","Beloborodov, Andrei M. [Columbia University, New York, NY (United States); Max Planck Institute for Astrophysics, Garching (Germany)] (ORCID:0000000156603175)","Sironi, Lorenzo [Columbia University, New York, NY (United States)] (ORCID:0000000212272754)","Philippov, Alexander [University of Maryland, College Park, MD (United States)] (ORCID:0000000178010362)"],"subjects":["79 ASTRONOMY AND ASTROPHYSICS","Space & astrophysical plasma","Accretion disk & black-hole plasma","Particle-in-cell methods"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0014664; AC02-06CH11357; 80NSSC20K0565; AST-1816484; AST-2009453; 21-ATP21-0056; 446228; 80NSSC22K1054; PHY-2206607","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"National Aeronautics and Space Administration (NASA)"},{"name":"National Science Foundation (NSF)"},{"name":"Simons Foundation"}],"sponsor_orgs":["USDOE Office of Science (SC)","National Aeronautics and Space Administration (NASA)","National Science Foundation (NSF)","Simons Foundation"],"orgs_research":[{"name":"Columbia Univ., New York, NY (United States)"}],"research_orgs":["Columbia Univ., New York, NY (United States)"],"journal_issn":"ISSN 0031-9007","other_identifiers":["Journal ID: ISSN 0031-9007"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311131"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311131"}]}, {"osti_id":"2311216","title":"Controlling magnon-photon coupling in a planar geometry","doi":"10.1088/2515-7639/ad2984","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: JPhys Materials Journal Volume: 7 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>The tunability of magnons enables their interaction with various other quantum excitations, including photons, paving the route for novel hybrid quantum systems. Here, we study magnon-photon coupling using a high-quality factor split-ring resonator and single-crystal yttrium iron garnet (YIG) spheres at room temperature. We investigate the dependence of the coupling strength on the size of the sphere and find that the coupling is stronger for spheres with a larger diameter as predicted by theory. Furthermore, we demonstrate strong magnon-photon coupling by varying the position of the YIG sphere within the resonator. Our experimental results reveal a theoretically-expected correlation between the coupling strength and the rf magnetic field. These findings demonstrate the control of coherent magnon-photon coupling through the theoretically predicted square-root dependence on the spin density in the ferromagnetic medium and the magnetic dipolar interaction in a planar resonator.<\/p>","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"IOP Publishing","journal_name":"JPhys Materials","journal_issue":"2","journal_volume":"7","format":"Medium: X; Size: Article No. 025005","authors":["Wagle, Dinesh","Rai, Anish (ORCID:0000000193617883)","Kaffash, Mojtaba T. (ORCID:0000000286020349)","Jungfleisch, M. Benjamin (ORCID:0000000182043677)"],"subjects":["magnon","magnon-photon coupling","quantum magnonics","magnonic hybrid systems","magnon-photon polariton","cavity magnonics"],"article_type":"Published Article","doe_contract_number":"SC0020308","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Univ. of Delaware, Newark, DE (United States)"}],"research_orgs":["Univ. of Delaware, Newark, DE (United States)"],"journal_issn":"ISSN 2515-7639","other_identifiers":["Journal ID: ISSN 2515-7639"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311216"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311216"}]}, {"osti_id":"2318508","title":"Assessing the Atmospheric Response to Subgrid Surface Heterogeneity in the Single-Column Community Earth System Model, Version 2 (CESM2)","doi":"10.1029/2022ms003517","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Advances in Modeling Earth Systems; Journal Volume: 16; Journal Issue: 3","description":"Land-atmosphere interactions are central to the evolution of the atmospheric boundary layer and the subsequent formation of clouds and precipitation. Existing global climate models represent these connections with bulk approximations on coarse spatial scales, but observations suggest that small-scale variations in surface characteristics and co-located turbulent and momentum fluxes can significantly impact the atmosphere. Recent model development efforts have attempted to capture this phenomenon by coupling existing representations of subgrid-scale (SGS) heterogeneity between land and atmosphere models. Such approaches are in their infancy and it is not yet clear if they can produce a realistic atmospheric response to surface heterogeneity. Here, we implement a parameterization to capture the effects of SGS heterogeneity in the Community Earth System Model (CESM2), and compare single-column simulations against high-resolution Weather Research and Forecasting (WRF) large-eddy simulations (LESs), which we use as a proxy for observations. The CESM2 experiments increase the temperature and humidity variances in the lowest atmospheric levels, but the response is weaker than in WRF-LES. In part, this is attributed to an underestimate of surface heterogeneity in the land model due to a lack of SGS meteorology, a separation between deep and shallow convection schemes in the atmosphere, and a lack of explicitly represented mesoscale secondary circulations. These results highlight the complex processes involved in capturing the effects of SGS heterogeneity and suggest the need for parameterizations that communicate their influence not only at the surface but also vertically.","availability":"ORNL","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Advances in Modeling Earth Systems","journal_issue":"3","journal_volume":"16","format":"Medium: ED; Size: Article No. e2022MS003517","authors":["Fowler, Megan D. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States)] (ORCID:0000000276689655)","Neale, Richard B. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States)] (ORCID:0000000342223918)","Waterman, Tyler [Duke Univ., Durham, NC (United States)] (ORCID:0000000291813810)","Lawrence, David M. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States)] (ORCID:0000000229683023)","Dirmeyer, Paul A. [George Mason Univ., Fairfax, VA (United States)] (ORCID:0000000331581752)","Larson, Vincent E. [Univ. of Wisconsin, Milwaukee, WI (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000205868525)","Huang, Meng [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000250456642)","Simon, Jason S. [Duke Univ., Durham, NC (United States)] (ORCID:0000000251112147)","Truesdale, John [National Center for Atmospheric Research (NCAR), Boulder, CO (United States)]","Chaney, Nathaniel W. [Duke Univ., Durham, NC (United States)] (ORCID:0000000171201713)"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Accepted Manuscript","contributing_org":"Pacific Northwest National Laboratory (PNNL); Brookhaven National Laboratory (BNL); Argonne National Laboratory (ANL)","doe_contract_number":"AC05-76RL01830; NA19OAR4310241; NA19OAR4310242; 1755088","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Oceanic and Atmospheric Administration (NOAA)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Oceanic and Atmospheric Administration (NOAA)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"],"journal_issn":"ISSN 1942-2466","other_identifiers":["Journal ID: ISSN 1942-2466"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318508"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2318508"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318508"}]}, {"osti_id":"2311233","title":"Power Production, Inter- and Intra-Array Wake Losses from the U.S. East Coast Offshore Wind Energy Lease Areas","doi":"10.3390/en17051063","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Energies Journal Volume: 17 Journal Issue: 5","description":"<p>There is an urgent need to develop accurate predictions of power production, wake losses and array–array interactions from multi-GW offshore wind farms in order to enable developments that maximize power benefits, minimize levelized cost of energy and reduce investment uncertainty. New, climatologically representative simulations with the Weather Research and Forecasting (WRF) model are presented and analyzed to address these research needs with a specific focus on offshore wind energy lease areas along the U.S. east coast. These, uniquely detailed, simulations are designed to quantify important sources of wake-loss projection uncertainty. They sample across different wind turbine deployment scenarios and thus span the range of plausible installed capacity densities (ICDs) and also include two wind farm parameterizations (WFPs; Fitch and explicit wake parameterization (EWP)) and consider the precise WRF model release used. System-wide mean capacity factors for ICDs of 3.5 to 6.0 MWkm−2 range from 39 to 45% based on output from Fitch and 50 to 55% from EWP. Wake losses are 27–37% (Fitch) and 11–19% (EWP). The discrepancy in CF and wake losses from the two WFPs derives from two linked effects. First, EWP generates a weaker ‘deep array effect’ within the largest wind farm cluster (area of 3675 km2), though both parameterizations indicate substantial within-array wake losses. If 15 MW wind turbines are deployed at an ICD of 6 MWkm−2 the most heavily waked wind turbines generate an average of only 32–35% of the power of those that experience the freestream (undisturbed) flow. Nevertheless, there is no evidence for saturation of the resource. The wind power density (electrical power generation per unit of surface area) increases with ICD and lies between 2 and 3 Wm−2. Second, EWP also systematically generates smaller whole wind farm wakes. Sampling across all offshore wind energy lease areas and the range of ICD considered, the whole wind farm wake extent for a velocity deficit of 5% is 1.18 to 1.38 times larger in simulations with Fitch. Over three-quarters of the variability in normalized wake extents is attributable to variations in freestream wind speeds, turbulent kinetic energy and boundary layer depth. These dependencies on meteorological parameters allow for the development of computationally efficient emulators of wake extents from Fitch and EWP.<\/p>","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"MDPI AG","journal_name":"Energies","journal_issue":"5","journal_volume":"17","format":"Medium: X; Size: Article No. 1063","authors":["Pryor, Sara C. (ORCID:0000000348473440)","Barthelmie, Rebecca J. (ORCID:0000000304036046)"],"article_type":"Published Article","doe_contract_number":"SC0016605","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1996-1073","other_identifiers":["Journal ID: ISSN 1996-1073; ENERGA; PII: en17051063"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311233"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311233"}]}, {"osti_id":"2311201","title":"Save or spend? Diverging water‐use strategies of grasses and encroaching clonal shrubs","doi":"10.1111/1365-2745.14276","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Ecology","description":"<title>Abstract<\/title>\n <p>\n <list>\n <list-item>\n <p>Shrub encroachment is one of the primary threats to mesic grasslands around the world. This dramatic shift in plant cover has the potential to alter ecosystem‐scale water budgets and responses to novel rainfall regimes. Understanding divergent water‐use strategies among encroaching shrubs and the grasses they replace is critical for predicting shifts in ecosystem‐scale water dynamics as a result of shrub encroachment, particularly if drought events become more frequent and/or severe in the future.<\/p>\n <\/list-item>\n <list-item>\n <p>\n In this study, we assessed how water‐use traits of a rapidly encroaching clonal shrub (\n <italic>Cornus drummondii<\/italic>\n ) and a dominant C\n <sub>4<\/sub>\n grass (\n <italic>Andropogon gerardii<\/italic>\n ) impact responses to changes in water availability in tallgrass prairie. We assessed intra‐annual change in depth of water uptake, turgor loss point and stomatal regulation in each species. Sampling took place at Konza Prairie Biological Station (northeastern KS, USA) during the 2021 and 2022 growing seasons.\n <\/p>\n <\/list-item>\n <list-item>\n <p>\n <italic>Cornus drummondii<\/italic>\n shifted from shallow to deep soil water sources across the 2021 and 2022 growing seasons. This plasticity in depth of water uptake facilitated a ‘wasteful’ water‐use strategy in\n <italic>C. drummondii<\/italic>\n , where stomatal conductance and transpiration rates continued to increase even when no further gain in photosynthetic rate occurred.\n <italic>A. gerardii<\/italic>\n photosynthetic rates and stomatal conductance were more variable through time and were more responsive to changes in leaf water potential than\n <italic>C. drummondii<\/italic>\n . However, intra‐annual adjustment of turgor loss point was more pronounced in\n <italic>C. drummondii<\/italic>\n (Δ\n <italic>π<\/italic>\n <sub>TLP<\/sub>\n = −0.48 MPa ± 0.15 SD) than in\n <italic>A. gerardii<\/italic>\n (Δ\n <italic>π<\/italic>\n <sub>TLP<\/sub>\n = −0.29 MPa ± 0.19 SD).\n <\/p>\n <\/list-item>\n <list-item>\n <p>\n <italic>Synthesis<\/italic>\n . These results suggest that\n <italic>C. drummondii<\/italic>\n is highly resilient to changes in water availability in surface soils and will likely remain unaffected by future droughts unless they are severe enough to reduce the availability of deep soil water. Given that clonal shrubs are key invaders of grasslands world‐wide, increased leaf‐level water loss is expected to accelerate ecosystem‐level drying as clonal shrub encroachment proceeds in mesic grasslands.\n <\/p>\n <\/list-item>\n <\/list>\n <\/p>","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"Journal of Ecology","format":"Medium: X","authors":["Keen, R. M. [Division of Biology Kansas State University Manhattan Kansas USA, Kansas Biological Survey and Center for Ecological Research University of Kansas Lawrence Kansas USA, Department of Ecology and Evolutionary Biology University of Kansas Lawrence Kansas USA] (ORCID:0000000252701381)","Helliker, B. R. [Department of Biology University of Pennsylvania Philadelphia Pennsylvania USA] (ORCID:0000000176212358)","McCulloh, K. A. [Department of Botany University of Wisconsin‐Madison Madison Wisconsin USA] (ORCID:0000000308013968)","Nippert, J. B. [Division of Biology Kansas State University Manhattan Kansas USA] (ORCID:000000027939342X)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"DE‐SC0019037","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-0477","other_identifiers":["Journal ID: ISSN 0022-0477; 1365-2745.14276"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311201"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311201"}]}, {"osti_id":"2311109","title":"Predictions of Boron Phase Stability Using an Efficient Bayesian Machine Learning Interatomic Potential","doi":"10.1021/acs.jpclett.4c00322","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry Letters; Journal Volume: 15","description":"Thermodynamic phase stability of three elemental boron allotropes, i.e., α-B, β-B, and γ-B, was investigated using a Bayesian interatomic potential trained via a sparse Gaussian process (SGP). SGP potentials trained with datasets from on-the-fly active learning achieve quantum mechanical level accuracy when employed in molecular dynamics simulations to predict wide-ranging thermodynamic, structural, and vibrational properties. The simulated phase diagram (500~1400 K and 0~16 GPa) agrees with experimental measurements. The SGP-based MD simulations also successfully predicted that the B13 defect is critical in stabilizing β-B below 700 K. At higher temperatures, the entropy becomes the dominant factor, making β-B the more stable phase over α-B. Furthermore, this Letter demonstrates that SGP potentials based on a training set consisting of defect-free-only systems could make correct predictions of defect-related phenomena in solid-state crystals, paving the path to investigate crystal phase stability and transitions.","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry Letters","journal_volume":"15","format":"Medium: ED; Size: p. 2419-2427","authors":["Deng, Hao [Kansas State University, Manhattan, KS (United States)] (ORCID:000000021656229X)","Liu, Bin [Kansas State University, Manhattan, KS (United States)] (ORCID:0000000178907612)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","B12 icosahedra","on-the-fly machine learning","Sparse Gaussian Process potential","phase diagram","material thermodynamics","boron","chemical structure","phase transitions","phonons"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0021264; AC02-05CH11231; CHE-1726332; CNS-1006860; EPS-1006860; EPS-0919443","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"National Science Foundation (NSF)"},{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","National Science Foundation (NSF)","USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"],"orgs_research":[{"name":"Kansas State Univ., Manhattan, KS (United States)"}],"research_orgs":["Kansas State Univ., Manhattan, KS (United States)"],"journal_issn":"ISSN 1948-7185","other_identifiers":["Journal ID: ISSN 1948-7185"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311109"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311109"}]}, {"osti_id":"2315635","title":"Reactor antineutrino flux and anomaly","report_number":"BNL-225349-2024-JAAM","doi":"10.1016/j.ppnp.2024.104106","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Progress in Particle and Nuclear Physics; Journal Volume: 136","description":"Reactor antineutrinos have played a significant role in establishing the standard model of particle physics and the theory of neutrino oscillations. In this article, we review the reactor antineutrino flux and in particular the reactor antineutrino anomaly (RAA) coined over a decade ago. RAA refers to a deficit of the measured antineutrino inverse beta decay rates at very short-baseline reactor experiments compared to the theoretically improved predictions (i.e. the Huber–Mueller model). Since the resolution of several previous experimental anomalies have led to the discovery of non-zero neutrino mass and mixing, many efforts have been invested to study the origin of RAA both experimentally and theoretically. The progress includes the observation of discrepancies in antineutrino energy spectrum between data and the Huber–Mueller model, the re-evaluation of the Huber–Mueller model uncertainties, the potential isotope-dependent rate deficits, and the better agreement between data and new model predictions using the improved summation method. Importantly, these developments disfavor the hypothesis of a light sterile neutrino as the explanation of RAA and supports the deficiencies of Huber–Mueller model as the origin. Looking forward, more effort from both the theoretical and experimental sides is needed to fully understand the root of RAA and to make accurate predictions of reactor antineutrino flux and energy spectrum for future discoveries.","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Elsevier","journal_name":"Progress in Particle and Nuclear Physics","journal_volume":"136","format":"Medium: ED; Size: Article No. 104106","authors":["Zhang, Chao [Brookhaven National Laboratory (BNL), Upton, NY (United States)] (ORCID:0000000322986272)","Qian, Xin [Brookhaven National Laboratory (BNL), Upton, NY (United States)]","Fallot, Muriel [Centre National de la Recherche Scientifique (CNRS) (France); Univ. of Nantes (France); IMT Atlantique Bretagne Pays de la Loire, Nantes (France)]"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","reactor antineutrino flux","reactor antineutrino anomaly","sterile neutrino","Huber–Mueller model","inverse beta decay yield"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0012704","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)"],"journal_issn":"ISSN 0146-6410","other_identifiers":["Journal ID: ISSN 0146-6410"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315635"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315635"}]}, {"osti_id":"2311224","title":"Ionic Thermoelectric Generators in Vertical and Planar Topologies Based on Fluorinated Polymer Hybrid Materials with Ionic Liquids","doi":"10.1002/marc.202400041","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Macromolecular Rapid Communications","description":"<title>Abstract<\/title>\n <p>\n Ionic thermoelectrics (TEs), in which voltage generation is based on ion migration, are suitable for applications based on their low cost, high flexibility, high ionic conductivity, and wide range of Seebeck coefficients. This work reports on the development of ionic TE materials based on the poly(vinylidene fluoride‐trifluoroethylene), Poly(VDF‐co‐TrFE), as host polymer blended with different contents of the ionic liquid, IL, 1‐ethyl‐3‐methylimidazolium bis(trifluoromethylsulfonyl)imide, [EMIM][TFSI]. The morphology, physico‐chemical, thermal, mechanical, and electrical properties of the samples are evaluated together with the TE response. It is demonstrated that the IL acts as a nucleating agent for polymer crystallization. The mechanical properties and ionic conductivity values are dependent on the IL content. A high room temperature ionic conductivity of 0.008 S cm\n <sup>−1<\/sup>\n is obtained for the sample with 60 wt% of [EMIM][TFSI] IL. The TE properties depend on both IL content and device topology‐vertical or planar‐the largest generated voltage range being obtained for the planar topology and the sample with 10 wt% of IL content, characterized by a Seebeck coefficient of 1.2 mV K\n <sup>−1<\/sup>\n . Based on the obtained maximum power density of 4.9 µW m\n <sup>−2<\/sup>\n , these materials are suitable for a new generation of TE devices.\n <\/p>","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Macromolecular Rapid Communications","format":"Medium: X","authors":["Pereira, Nelson [Centre of Physics Universities of Minho and Porto and Laboratory of Physics for Materials and Emergent Technologies, LapMET University of Minho Campus de Gualtar Braga 4710‐057 Portugal]","Afonso, Luis [Centre of Physics Universities of Minho and Porto and Laboratory of Physics for Materials and Emergent Technologies, LapMET University of Minho Campus de Gualtar Braga 4710‐057 Portugal]","Salado, Manuel [BCMaterials Basque Center for Materials Applications and Nanostructures UPV/EHU Science Park Leioa 48940 Spain]","Tubio, Carmen R. [BCMaterials Basque Center for Materials Applications and Nanostructures UPV/EHU Science Park Leioa 48940 Spain]","Correia, Daniela M. [Centre of Chemistry University of Minho Braga 4710‐057 Portugal]","Costa, Carlos M. [Centre of Physics Universities of Minho and Porto and Laboratory of Physics for Materials and Emergent Technologies, LapMET University of Minho Campus de Gualtar Braga 4710‐057 Portugal] (ORCID:0000000192663669)","Lanceros‐Mendez, Senentxu [Centre of Physics Universities of Minho and Porto and Laboratory of Physics for Materials and Emergent Technologies, LapMET University of Minho Campus de Gualtar Braga 4710‐057 Portugal, BCMaterials Basque Center for Materials Applications and Nanostructures UPV/EHU Science Park Leioa 48940 Spain, Ikerbasque Basque Foundation for Science Bilbao 48009 Spain]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1022-1336","other_identifiers":["Journal ID: ISSN 1022-1336; 2400041"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311224"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311224"}]}, {"osti_id":"2311226","title":"New examples of ferroelectric nematic materials showing evidence for the antiferroelectric smectic-Z phase","doi":"10.1038/s41598-024-54832-0","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Scientific Reports Journal Volume: 14 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n We present a new ferroelectric nematic material, 4-((4′-((trans)-5-ethyloxan-2-yl)-2′,3,5,6′-tetrafluoro-[1,1′-biphenyl]-4-yl)difluoromethoxy)-2,6-difluorobenzonitrile (AUUQU-2-N) and its higher homologues, the molecular structures of which include fluorinated building blocks, an oxane ring, and a terminal cyano group, all contributing to a large molecular dipole moment of about 12.5 D. We observed that AUUQU-2-N has three distinct liquid crystal phases, two of which were found to be polar phases with a spontaneous electric polarization\n <bold>P<\/bold>\n <sub>\n <bold>s<\/bold>\n <\/sub>\n of up to 6 µC cm\n <sup>–2<\/sup>\n . The highest temperature phase is a common enantiotropic nematic (N) exhibiting only field-induced polarization. The lowest-temperature, monotropic phase proved to be a new example of the ferroelectric nematic phase (N\n <sub>F<\/sub>\n ), evidenced by a single-peak polarization reversal current response, a giant imaginary dielectric permittivity on the order of 10\n <sup>3<\/sup>\n , and the absence of any smectic layer X-ray diffraction peaks. The ordinary nematic phase N and the ferroelectric nematic phase N\n <sub>F<\/sub>\n are separated by an antiferroelectric liquid crystal phase which has low permittivity and a polarization reversal current exhibiting a characteristic double-peak response. In the polarizing light microscope, this antiferroelectric phase shows characteristic zig-zag defects, evidence of a layered structure. These observations suggest that this is another example of the recently discovered smectic Z\n <sub>A<\/sub>\n (SmZ\n <sub>A<\/sub>\n ) phase, having smectic layers with the molecular director parallel to the layer planes. The diffraction peaks from the smectic layering have not been observed to date but detailed 2D X-ray studies indicate the presence of additional short-range structures including smectic C-type correlations in all three phases—N, SmZ\n <sub>A<\/sub>\n and N\n <sub>F<\/sub>\n —which may shed new light on the understanding of polar and antipolar order in these phases.\n <\/p>","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: X","authors":["Nacke, Pierre","Manabe, Atsutaka","Klasen-Memmer, Melanie","Chen, Xi","Martinez, Vikina","Freychet, Guillaume","Zhernenkov, Mikhail","Maclennan, Joseph E.","Clark, Noel A.","Bremer, Matthias","Giesselmann, Frank"],"article_type":"Published Article","doe_contract_number":"SC0012704","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; 4473; PII: 54832"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311226"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311226"}]}, {"osti_id":"2311193","title":"Automated experimental design of safe rampdowns via probabilistic machine learning","doi":"10.1088/1741-4326/ad22f5","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion Journal Volume: 64 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>Typically the rampdown phase of a shot consists of a decrease in current and injected power and optionally a change in shape, but there is considerable flexibility in the rate, sequencing, and duration of these changes. On the next generation of tokamaks it is essential that this is done safely as the device could be damaged by the stored thermal and electromagnetic energy present in the plasma. This works presents a procedure for automatically choosing experimental rampdown designs to rapidly converge to an effective rampdown trajectory. This procedure uses probabilistic machine learning methods paired with acquisition functions taken from Bayesian optimization. In a set of 2022 experiments at DIII-D, the rampdown designs produced by our method maintained plasma control down to substantially lower current and energy levels than are typically observed. The actions predicted by the model significantly improved as the model was able to explore over the course of the experimental campaign.<\/p>","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","journal_issue":"4","journal_volume":"64","format":"Medium: X; Size: Article No. 046014","authors":["Mehta, Viraj (ORCID:0000000220219718)","Barr, Jayson (ORCID:0000000177685931)","Abbate, Joseph (ORCID:0000000254636552)","Boyer, Mark D. (ORCID:0000000268459155)","Char, Ian","Neiswanger, Willie (ORCID:0000000296195572)","Kolemen, Egemen","Schneider, Jeff"],"article_type":"Published Article","doe_contract_number":"SC0021275","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311193"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311193"}]}, {"osti_id":"2323561","title":"Achieving sub-0.5-angstrom–resolution ptychography in an uncorrected electron microscope","doi":"10.1126/science.adl2029","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Science; Journal Volume: 383; Journal Issue: 6685; Related Information: Source dataset for this publication","description":"Subangstrom resolution has long been limited to aberration-corrected electron microscopy, where it is a powerful tool for understanding the atomic structure and properties of matter. Here, we demonstrate electron ptychography in an uncorrected scanning transmission electron microscope (STEM) with deep subangstrom spatial resolution down to 0.44 angstroms, exceeding the conventional resolution of aberration-corrected tools and rivaling their highest ptychographic resolutions​. Our approach, which we demonstrate on twisted two-dimensional materials in a widely available commercial microscope, far surpasses prior ptychographic resolutions (1 to 5 angstroms) of uncorrected STEMs. We further show how geometric aberrations can create optimized, structured beams for dose-efficient electron ptychography. Our results demonstrate that expensive aberration correctors are no longer required for deep subangstrom resolution.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"AAAS","journal_name":"Science","journal_issue":"6685","journal_volume":"383","format":"Medium: ED; Size: p. 865-870","authors":["Nguyen, Kayla X. [University of Illinois at Urbana-Champaign, IL (United States)] (ORCID:0000000192537064)","Jiang, Yi [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000228071324)","Lee, Chia-Hao [University of Illinois at Urbana-Champaign, IL (United States)] (ORCID:0000000185675637)","Kharel, Priti [University of Illinois at Urbana-Champaign, IL (United States)] (ORCID:0000000219338242)","Zhang, Yue [University of Illinois at Urbana-Champaign, IL (United States)] (ORCID:0000000230876965)","van der Zande, Arend M. [University of Illinois at Urbana-Champaign, IL (United States)] (ORCID:0000000151049646)","Huang, Pinshane Y. [University of Illinois at Urbana-Champaign, IL (United States)] (ORCID:0000000210951833)"],"subjects":["36 MATERIALS SCIENCE","77 NANOSCIENCE AND NANOTECHNOLOGY","75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0020190; AC02-06CH11357","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Univ. of Illinois at Urbana-Champaign, IL (United States)"}],"research_orgs":["Univ. of Illinois at Urbana-Champaign, IL (United States)"],"journal_issn":"ISSN 0036-8075","other_identifiers":["Journal ID: ISSN 0036-8075"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323561"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323561"}]}, {"osti_id":"2293608","title":"Economical quasi-Newton unitary optimization of electronic orbitals","doi":"10.1039/D3CP05557D","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 8","description":"<p>State-of-the-art quasi-Newton unitary optimizer with trust-region (QUOTR) is nearly as efficient as the reference method for simple cases and is more robust for complex cases such as proteins with zero HOMO–LUMO gap in semilocal Kohn–Sham DFT.<\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"8","journal_volume":"26","format":"Medium: X; Size: p. 6557-6573","authors":["Slattery, Samuel A. [Department of Chemistry, Virginia Tech, Blacksburg, VA 24061, USA] (ORCID:0000000304184161)","Surjuse, Kshitijkumar A. [Department of Chemistry, Virginia Tech, Blacksburg, VA 24061, USA] (ORCID:0000000223262172)","Peterson, Charles C. [Office of Advanced Research Computing, University of California, Los Angeles, CA 90095, USA]","Penchoff, Deborah A. [UT Innovative Computing Laboratory, University of Tennessee, Knoxville, TN 37996, USA] (ORCID:0000000274309452)","Valeev, Edward F. [Department of Chemistry, Virginia Tech, Blacksburg, VA 24061, USA] (ORCID:0000000199236256)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293608"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293608"}]}, {"osti_id":"2318787","title":"Turbulence spreading effects on the ELM size and SOL width","report_number":"LLNL-JRNL-843534","doi":"10.1017/s0022377824000199","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Plasma Physics; Journal Volume: 90; Journal Issue: 1","description":"BOUT++ turbulence simulations were performed to investigate the impact of turbulence spreading on the edge localized mode (ELM) size and divertor heat flux width (λ<sub>q<\/sub>) broadening in small ELM regimes. Here, this study is motivated by EAST experiments. BOUT++ linear simulations of a pedestal radial electric field (E<sub>r<\/sub>) scan show that the dominant toroidal number mode (n) shifts from high-n to low-n, with a narrow mode spectrum, and the maximum linear growth rate increases as the pedestal E<sub>r<\/sub> well deepens. The nonlinear simulations show that as the net E × B pedestal flow increases, the pressure fluctuation level and its inward penetration beyond the top of the pedestal both increase. This leads to a transition from small ELMs to large ELMs. Both inward and outward turbulence spreading are sensitive to the scrape-off-layer (SOL) plasma profiles. The inward turbulence spreading increases for the steep SOL profiles, leading to increasing pedestal energy loss in the small ELM regime. The SOL width (λ<sub>q<\/sub>) is significantly broadened progressing from the ELM-free to small ELM regime, due to the onset of strong radial turbulent transport. The extent of the SOL width (λ<sub>q<\/sub>) broadening depends strongly on outward turbulence spreading. The fluctuation energy intensity flux Γ<sub>ε<\/sub> at the separatrix can be enhanced by increasing either pedestal E<sub>r<\/sub> flow shear or local SOL pressure gradient. The λ<sub>q<\/sub> is broadened as the fluctuation energy intensity flux Γ<sub>ε<\/sub> at the last close flux surface (LCFS) increases. Local SOL E × B flow shear will restrain outward turbulence spreading and the associated heat flux width broadening. Operating in H-mode with small ELMs has the potential to solve two critical problems: reducing the ELM size and broadening the SOL width.","availability":"External Audience (Unlimited)","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Cambridge University Press","journal_name":"Journal of Plasma Physics","journal_issue":"1","journal_volume":"90","format":"Medium: ED; Size: Article No. 905900117","authors":["Li, Nami [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000338703134)","Xu, X. Q. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Diamond, P. H. [Univ. of California, San Diego, CA (United States)]","Wang, Y. F. [Chinese Academy of Sciences, Hefei (China)]","Lin, X. [Chinese Academy of Sciences, Hefei (China)]","Yan, N. [Chinese Academy of Sciences, Hefei (China)]","Xu, G. S. [Chinese Academy of Sciences, Hefei (China)]"],"subjects":["plasma simulation","fusion plasma"],"article_type":"Accepted Manuscript","doe_contract_number":"AC52-07NA27344; FG02-04ER54738","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"},{"name":"Univ. of California, San Diego, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)","Univ. of California, San Diego, CA (United States)"],"journal_issn":"ISSN 0022-3778","other_identifiers":["Journal ID: ISSN 0022-3778; 1066362"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318787"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2318787"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318787"}]}, {"osti_id":"2317750","title":"A new generation of effective core potentials: Selected lanthanides and heavy elements","doi":"10.1063/5.0180057","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Chemical Physics; Journal Volume: 160; Journal Issue: 8","description":"Here, we construct correlation-consistent effective core potentials (ccECPs) for a selected set of heavy atoms and ƒ-elements that are of significant current interest in materials and chemical applications, including Y, Zr, Nb, Rh, Ta, Re, Pt, Gd, and Tb. As is customary, ccECPs consist of spin orbit averaged relativistic effective potential (AREP) and effective spin-orbit (SO) terms. For the AREP part, our constructions are carried out within a relativistic coupled-cluster framework while also taking into account objective function one-particle characteristics for improved convergence in optimizations. The transferability is adjusted using binding curves of hydride and oxide molecules. We address the difficulties encountered with ƒ-elements, such as the presence of large cores and multiple near-degeneracies of excited levels. For these elements, we construct ccECPs with core valence partitioning that includes 4ƒ-subshell in the valence space. The developed ccECPs achieve an excellent balance between accuracy, size of the valence space, and transferability and are also suitable to be used in plane wave codes with reasonable energy cutoffs.","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Journal of Chemical Physics","journal_issue":"8","journal_volume":"160","format":"Medium: ED; Size: Article No. 084302","authors":["Zhou, Haihan [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000284577784)","Kincaid, Benjamin [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000219642092)","Wang, Guangming [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000231327925)","Annaberdiyev, Abdulgani [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000019760545X)","Ganesh, Panchapakesan [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000271702902)","Mitas, Lubos [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000223579815)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0021-9606","other_identifiers":["Journal ID: ISSN 0021-9606"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317750"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317750"}]}, {"osti_id":"2311014","title":"Estimates of Southern Hemispheric Gravity Wave Momentum Fluxes across Observations, Reanalyses, and Kilometer-Scale Numerical Weather Prediction Model","doi":"10.1175/JAS-D-23-0095.1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Atmospheric Sciences Journal Volume: 81 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Gravity waves (GWs) are among the key drivers of the meridional overturning circulation in the mesosphere and upper stratosphere. Their representation in climate models suffers from insufficient resolution and limited observational constraints on their parameterizations. This obscures assessments of middle atmospheric circulation changes in a changing climate. This study presents a comprehensive analysis of stratospheric GW activity above and downstream of the Andes from 1 to 15 August 2019, with special focus on GW representation ranging from an unprecedented kilometer-scale global forecast model (1.4 km ECMWF IFS), ground-based Rayleigh lidar (CORAL) observations, modern reanalysis (ERA5), to a coarse-resolution climate model (EMAC). Resolved vertical flux of zonal GW momentum (GWMF) is found to be stronger by a factor of at least 2–2.5 in IFS compared to ERA5. Compared to resolved GWMF in IFS, parameterizations in ERA5 and EMAC continue to inaccurately generate excessive GWMF poleward of 60°S, yielding prominent differences between resolved and parameterized GWMFs. A like-to-like validation of GW profiles in IFS and ERA5 reveals similar wave structures. Still, even at ∼1 km resolution, the resolved waves in IFS are weaker than those observed by lidar. Further, GWMF estimates across datasets reveal that temperature-based proxies, based on midfrequency approximations for linear GWs, overestimate GWMF due to simplifications and uncertainties in GW wavelength estimation from data. Overall, the analysis provides GWMF benchmarks for parameterization validation and calls for three-dimensional GW parameterizations, better upper-boundary treatment, and vertical resolution increases commensurate with increases in horizontal resolution in models, for a more realistic GW analysis.<\/p>\n <sec>\n <title>Significance Statement<\/title>\n <p>Gravity wave–induced momentum forcing forms a key component of the middle atmospheric circulation. However, complete knowledge of gravity waves, their atmospheric effects, and their long-term trends are obscured due to limited global observations, and the inability of current climate models to fully resolve them. This study combines a kilometer-scale forecast model, modern reanalysis, and a coarse-resolution climate model to first compare the resolved and parameterized momentum fluxes by gravity waves generated over the Andes, and then evaluate the fluxes using a state-of-the-art ground-based Rayleigh lidar. Our analysis reveals shortcomings in current model parameterizations of gravity waves in the middle atmosphere and highlights the sensitivity of the estimated flux to the formulation used.<\/p>\n <\/sec>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Meteorological Society","journal_name":"Journal of the Atmospheric Sciences","journal_issue":"3","journal_volume":"81","format":"Medium: X; Size: p. 583-604","authors":["Gupta, Aman [a Meteorological Institute, Ludwig Maximilians Universität, Munich, Germany] (ORCID:0000000222157135)","Reichert, Robert [a Meteorological Institute, Ludwig Maximilians Universität, Munich, Germany, b Institut für Physik der Atmosphäre, Deutsches Zentrum für Luft- und Raumfahrt, Oberpfaffenhofen, Germany]","Dörnbrack, Andreas [b Institut für Physik der Atmosphäre, Deutsches Zentrum für Luft- und Raumfahrt, Oberpfaffenhofen, Germany]","Garny, Hella [a Meteorological Institute, Ludwig Maximilians Universität, Munich, Germany, b Institut für Physik der Atmosphäre, Deutsches Zentrum für Luft- und Raumfahrt, Oberpfaffenhofen, Germany]","Eichinger, Roland [b Institut für Physik der Atmosphäre, Deutsches Zentrum für Luft- und Raumfahrt, Oberpfaffenhofen, Germany, d Department of Atmospheric Physics, Faculty of Mathematics and Physics, Charles University Prague, Prague, Czech Republic]","Polichtchouk, Inna [c European Centre for Medium-Range Weather Forecasts, Reading, United Kingdom]","Kaifler, Bernd [b Institut für Physik der Atmosphäre, Deutsches Zentrum für Luft- und Raumfahrt, Oberpfaffenhofen, Germany]","Birner, Thomas [a Meteorological Institute, Ludwig Maximilians Universität, Munich, Germany, b Institut für Physik der Atmosphäre, Deutsches Zentrum für Luft- und Raumfahrt, Oberpfaffenhofen, Germany]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-4928","other_identifiers":["Journal ID: ISSN 0022-4928"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311014"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311014"}]}, {"osti_id":"2311803","title":"Electron energy gain due to a laser frequency modulation experienced by electron during betatron motion","doi":"10.1063/5.0190559","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physics of Plasmas; Journal Volume: 31; Journal Issue: 2","description":"Direct laser acceleration of electrons is an important energy deposition mechanism for laser-irradiated plasmas that is particularly effective at relativistic laser intensities in the presence of quasi-static laser-driven plasma electric and magnetic fields. These radial electric and azimuthal magnetic fields provide transverse electron confinement by inducing betatron oscillations of forward-moving electrons undergoing laser acceleration. Electrons are said to experience a betatron resonance when the frequency of betatron oscillations matches the average frequency of the laser field oscillations at the electron position. In this paper, we show that the modulation of the laser frequency as seen by an electron performing betatron oscillations can be another important mechanism for net energy gain that is qualitatively different from the betatron resonance. Specifically, we show that the frequency modulation experienced by the electron can lead to net energy gain in the regime where the laser field performs three oscillations per betatron oscillation. There is no net energy gain in this regime without the modulation because the energy gain is fully compensated by the energy loss. Furthermore, the modulation slows down the laser oscillation near transverse stopping points, increasing the time interval during which the electron gains energy and making it possible to achieve net energy gain.","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Physics of Plasmas","journal_issue":"2","journal_volume":"31","format":"Medium: ED; Size: Article No. 023106","authors":["Arefiev, A. [University of California San Diego, La Jolla, CA (United States)] (ORCID:0000000205970976)","Yeh, I. -L. [University of California San Diego, La Jolla, CA (United States)] (ORCID:000000030796717X)","Tangtartharakul, K. [University of California San Diego, La Jolla, CA (United States)] (ORCID:000000017992924X)","Willingale, L. [University of Michigan, Ann Arbor, MI (United States)] (ORCID:0000000343040339)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","Frequency modulation","Particle accelerators","Lasers","Net energy gain"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0004030","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"University of California San Diego, La Jolla, CA (United States)"}],"research_orgs":["University of California San Diego, La Jolla, CA (United States)"],"journal_issn":"ISSN 1070-664X","other_identifiers":["Journal ID: ISSN 1070-664X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311803"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311803"}]}, {"osti_id":"2290376","title":"Beyond the electrical double layer model: ion-dependent effects in nanoscale solvent organization","doi":"10.1039/D3CP05712G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 8","description":"<p>Electrochemical measurements, nonlinear spectroscopy, and MD simulations are used to explore how the sizes and identities of ions influence their non-uniform distribution in acetonitrile that is highly organized due to proximity to a polar interface.<\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"8","journal_volume":"26","format":"Medium: X; Size: p. 6726-6735","authors":["Souna, Amanda J. [Department of Chemistry & Biochemistry, University of Maryland, College Park, MD 20742, USA]","Motevaselian, Mohammad H. [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61820, USA]","Polster, Jake W. [Department of Chemistry, University of California Irvine, Irvine, CA 92697, USA] (ORCID:0000000152449561)","Tran, Jason D. [Department of Chemistry & Biochemistry, University of Maryland, College Park, MD 20742, USA]","Siwy, Zuzanna S. [Department of Chemistry, University of California Irvine, Irvine, CA 92697, USA, Department of Physics and Astronomy, University of California Irvine, Irvine, CA 92697, USA, Department of Biomedical Engineering, University of California Irvine, Irvine, CA 92697, USA] (ORCID:0000000326267873)","Aluru, Narayana R. [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61820, USA, Walker Department of Mechanical Engineering, The University of Texas at Austin, Austin, TX 78712, USA, Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, TX 78712, USA] (ORCID:0000000296227837)","Fourkas, John T. [Department of Chemistry & Biochemistry, University of Maryland, College Park, MD 20742, USA, Institute for Physical Sciences and Technology, University of Maryland, College Park, MD 20742, USA, Maryland Quantum Materials Center, University of Maryland, College Park, MD 20742, USA] (ORCID:0000000245229584)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290376"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290376"}]}, {"osti_id":"2311003","title":"Twenty Years of Progress, Challenges, and Opportunities in Measuring and Understanding Soil Respiration","report_number":"PNNL-SA-192425","doi":"10.1029/2023JG007637","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Geophysical Research. Biogeosciences Journal Volume: 129 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Soil respiration (Rs), the soil‐to‐atmosphere flux of CO\n <sub>2<\/sub>\n , is a dominant but uncertain part of the carbon cycle, even after decades of study. This review focuses on progress in understanding Rs from laboratory incubations to global estimates. We survey key developments of in situ ecosystem‐scale Rs observations and manipulations, synthesize Rs meta‐analyses and global flux estimates, and discuss the most compelling challenges and opportunities for the future. Increasingly sophisticated lab experiments have yielded insights into the interaction among heterotrophic respiration, substrate supply, and enzymatic kinetics, and extended incubation‐based analyses across space and time. Observational and manipulative field‐based experiments have used improved measurement approaches to deepen our understanding of the integrated effects of environmental change and disturbance on Rs. Freely‐available observational databases have enabled meta‐analyses and studies probing the magnitude of, and constraints on, the global Rs flux. Key challenges for the field include expanding Rs measurements, experiments, and opportunities to under‐represented communities and ecosystems; reconciling independent estimates of global respiration fluxes and trends; testing and leveraging the power of machine learning and process‐based models, both independently and in conjunction with each other; and continuing the field\'s tradition of using novel experiments to explore diverse mechanisms and ecosystems.\n <\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Geophysical Research. Biogeosciences","journal_issue":"2","journal_volume":"129","format":"Medium: X","authors":["Bond‐Lamberty, Ben [Pacific Northwest National Laboratory Joint Global Change Research Institute College Park MD USA] (ORCID:0000000195254633)","Ballantyne, Ashley [Department of Ecosystem and Conservation Sciences University of Montana Missoula MT USA] (ORCID:0000000315325126)","Berryman, Erin [Rocky Mountain Research Station USDA Forest Service Fort Collins CO USA] (ORCID:0000000186992474)","Fluet‐Chouinard, Etienne [Pacific Northwest National Laboratory Richland WA USA] (ORCID:0000000343802153)","Jian, Jinshi [Northwest A&,F University Yangling China]","Morris, Kendalynn A. [Pacific Northwest National Laboratory Joint Global Change Research Institute College Park MD USA] (ORCID:0000000203886965)","Rey, Ana [National Museum of Natural Sciences Spanish National Research Council (CSIC) Madrid Spain] (ORCID:000000030394101X)","Vargas, Rodrigo [Department of Plant and Soil Sciences University of Delaware Newark DE USA] (ORCID:0000000168295333)"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Published Article","doe_contract_number":"AC05-76RL01830; 80NSSC21K1715","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Aeronautics and Space Administration (NASA)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Aeronautics and Space Administration (NASA)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2169-8953","other_identifiers":["Journal ID: ISSN 2169-8953; e2023JG007637"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311003"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311003"}]}, {"osti_id":"2311921","title":"High-Capacity, Cooperative CO\n <sub>2<\/sub>\n Capture in a Diamine-Appended Metal–Organic Framework through a Combined Chemisorptive and Physisorptive Mechanism","doi":"10.1021/jacs.3c13381","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society Journal Volume: 146 Journal Issue: 9","description":"Diamine-appended Mg<sub>2<\/sub>(dobpdc) (dobpdc<sup>4–<\/sup> = 4,4\'-dioxidobiphenyl-3,3\'- dicarboxylate) metal–organic frameworks are promising candidates for carbon capture that exhibit exceptional selectivities and high capacities for CO<sub>2<\/sub>. To date, CO<sub>2<\/sub> uptake in these materials has been shown to occur predominantly via a chemisorption mechanism involving CO<sub>2<\/sub> insertion at the amine-appended metal sites, a mechanism that limits the capacity of the material to ~1 equiv of CO<sub>2<\/sub> per diamine. Herein, we report a new framework, pip2– Mg<sub>2<\/sub>(dobpdc) (pip2 = 1-(2-aminoethyl)piperidine), that exhibits two-step CO<sub>2<\/sub> uptake and achieves an unusually high CO<sub>2<\/sub> capacity approaching 1.5 CO<sub>2<\/sub> per diamine at saturation. Analysis of variable-pressure CO<sub>2<\/sub> uptake in the material using solid-state nuclear magnetic resonance (NMR) spectroscopy and in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) reveals that pip2–Mg<sub>2<\/sub>(dobpdc) captures CO<sub>2<\/sub> via an unprecedented mechanism involving the initial insertion of CO<sub>2<\/sub> to form ammonium carbamate chains at half of the sites in the material, followed by tandem cooperative chemisorption and physisorption. Powder X-ray diffraction analysis, supported by van der Waals-corrected density functional theory, reveals that physisorbed CO<sub>2<\/sub> occupies a pocket formed by adjacent ammonium carbamate chains and the linker. Based on breakthrough and extended cycling experiments, pip2–Mg<sub>2<\/sub>(dobpdc) exhibits exceptional performance for CO<sub>2<\/sub> capture under conditions relevant to the separation of CO<sub>2<\/sub> from landfill gas. More broadly, these results highlight new opportunities for the fundamental design of diamine–Mg<sub>2<\/sub>(dobpdc) materials with even higher capacities than those predicted based on CO<sub>2<\/sub> chemisorption alone.","publication_date":"2024-02-24T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of the American Chemical Society","journal_issue":"9","journal_volume":"146","format":"Medium: X; Size: p. 6072-6083","authors":["Zhu, Ziting [Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States, Department of Materials Science and Engineering, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000241730347)","Tsai, Hsinhan [Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States, Department of Chemistry, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000214921279)","Parker, Surya T. [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000185348361)","Lee, Jung-Hoon [Department of Physics, University of California, Berkeley, California 94720, United States] (ORCID:000000022983678X)","Yabuuchi, Yuto [Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States, Department of Chemistry, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:000000033034558X)","Jiang, Henry Z. H. [Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States, Department of Chemistry, University of California, Berkeley, California 94720, United States]","Wang, Yang [Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States, Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States]","Xiong, Shuoyan [Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States, Department of Chemistry, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000225794260)","Forse, Alexander C. [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States] (ORCID:0000000195929821)","Dinakar, Bhavish [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States]","Huang, Adrian [Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States, Department of Chemistry, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States]","Dun, Chaochao [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000232156478)","Milner, Phillip J. [Department of Chemistry, University of California, Berkeley, California 94720, United States] (ORCID:000000022618013X)","Smith, Alex [Department of Physics, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States]","Guimarães Martins, Pedro [Department of Physics, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States]","Meihaus, Katie R. [Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States, Department of Chemistry, University of California, Berkeley, California 94720, United States]","Urban, Jeffrey J. [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000349092869)","Reimer, Jeffrey A. [Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States, Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States]","Neaton, Jeffrey B. [Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States, Department of Physics, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States]","Long, Jeffrey R. [Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States, Department of Chemistry, University of California, Berkeley, California 94720, United States, Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000253241321)"],"subjects":["Adsorption","Diffraction","Materials","Nuclear magnetic resonance spectroscopy","Organic compounds"],"article_type":"Published Article","doe_contract_number":"SC0019992; AC02- 05CH11231; AC02-06CH11357; 2E31801; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"],"orgs_research":[{"name":"University of California, Berkeley, CA (United States)"}],"research_orgs":["University of California, Berkeley, CA (United States)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311921"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311921"}]}, {"osti_id":"2318767","title":"Astronomaly at scale: searching for anomalies amongst 4 million galaxies","doi":"10.1093/mnras/stae496","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 529 Journal Issue: 1","description":"<title>ABSTRACT<\/title>\n <p>Modern astronomical surveys are producing data sets of unprecedented size and richness, increasing the potential for high-impact scientific discovery. This possibility, coupled with the challenge of exploring a large number of sources, has led to the development of novel machine-learning-based anomaly detection approaches, such as astronomaly. For the first time, we test the scalability of astronomaly by applying it to almost 4 million images of galaxies from the Dark Energy Camera Legacy Survey. We use a trained deep learning algorithm to learn useful representations of the images and pass these to the anomaly detection algorithm isolation forest, coupled with astronomaly’s active learning method, to discover interesting sources. We find that data selection criteria have a significant impact on the trade-off between finding rare sources such as strong lenses and introducing artefacts into the data set. We demonstrate that active learning is required to identify the most interesting sources and reduce artefacts, while anomaly detection methods alone are insufficient. Using astronomaly, we find 1635 anomalies among the top 2000 sources in the data set after applying active learning, including eight strong gravitational lens candidates, 1609 galaxy merger candidates, and 18 previously unidentified sources exhibiting highly unusual morphology. Our results show that by leveraging the human–machine interface, astronomaly is able to rapidly identify sources of scientific interest even in large data sets.<\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"1","journal_volume":"529","format":"Medium: X; Size: p. 732-747","authors":["Etsebeth, V. (ORCID:0000000195136442)","Lochner, M. (ORCID:0000000322218281)","Walmsley, M. (ORCID:0000000264084181)","Grespan, M."],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318767"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318767"}]}, {"osti_id":"2317782","title":"Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents","doi":"10.1021/acs.jctc.3c01163","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Chemical Theory and Computation","description":"Deep eutectic solvents (DESs) are emerging as environmentally friendly designer solvents for mass transport and heat transfer processes in industrial applications; however, the lack of accurate tools to predict and thus control their viscosities under both a range of environmental factors and formulations hinders their general application. While DESs may serve as designer solvents, with nearly unlimited combinations, this unfortunately makes it experimentally infeasible to comprehensively measure the viscosities of all DESs of potential industrial interest. To assist in the design of DESs, we have developed several new machine learning (ML) models that accurately and rapidly predict the viscosities of a diverse group of DESs at different temperatures and molar ratios using, to date, one of the most comprehensive data sets containing the properties of over 670 DESs over a wide range of temperatures (278.15–385.25 K). Three ML models, including support vector regression (SVR), feed forward neural networks (FFNNs), and categorical boosting (CatBoost), were developed to predict DES viscosity as a function of temperature and molar ratio and contrasted with multilinear and two-factor polynomial regression baselines. Further, quantum chemistry-based, COSMO-RS-derived sigma profile (σ-profile) features were used as inputs for the ML models. The CatBoost model is excellent at externally predicting DES viscosity, as indicated by high R<sup>2<\/sup> (0.99) and low root-mean-square-error (RMSE) and average absolute relative deviations (AARD) (5.22%) values for the testing data sets, and 98% of the data points lie within the 15% of AARD deviations. Furthermore, SHapley additive explanation (SHAP) analysis was employed to interpret the ML results and rationalize the viscosity predictions. The result is an ML approach that accurately predicts viscosity and will aid in accelerating the design of appropriate DESs for industrial applications.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Chemical Theory and Computation","format":"Medium: ED","authors":["Mohan, Mood [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000159379746)","Jetti, Karuna Devi [GITAM, Vishakhapatnam (India)]","Smith, Micholas Dean [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)] (ORCID:0000000207777539)","Demerdash, Omar N. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Kidder, Michelle K. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000030851835X)","Smith, Jeremy C. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)] (ORCID:0000000229783227)"],"subjects":["Molecular modeling","Solubility","Solvents","Testing and assessment","Viscosity"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; FWP ERKP752; SC0022214; FWP 3ERKCG25","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1549-9618","other_identifiers":["Journal ID: ISSN 1549-9618"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317782"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317782"}]}, {"osti_id":"2311222","title":"Phase Diagram of Nuclear Pastas in Neutron Star Crusts","doi":"10.3390/dynamics4010009","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Dynamics Journal Volume: 4 Journal Issue: 1","description":"<p>Two neural networks were trained to predict, respectively, the Euler characteristic and the curvature of nuclear pastas in neutron star crust conditions generated by molecular dynamics simulations of neutron star matter with 0.1 < x < 0.5, 0.040 fm−3 < ρ < 0.085 fm−3 (0.68 × 1014 g/cm3 < ρ < 1.43 × 1014 g/cm3), and 0.2 MeV < T < 4.0 MeV, where x is proton content, the density is ρ, and the temperature is T. The predictions of the two networks were combined to determine the nuclear pasta phase that is thermodynamically stable at a given x, ρ, and T, and a three-dimensional phase diagram that extrapolated slightly the regions of existing molecular dynamics data was computed. The jungle gym and anti-jungle gym structures are prevalent at high temperature and low density, while the anti-jungle gym and anti-gnocchi structures dominate at high temperature and high density. A diversity of structures exist at low temperatures and intermediate density and proton content. The trained models used in this work are open access and available at a public repository to promote comparison to pastas obtained with other models.<\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"MDPI AG","journal_name":"Dynamics","journal_issue":"1","journal_volume":"4","format":"Medium: X; Size: p. 157-169","authors":["Muñoz, Jorge A. (ORCID:0000000294870079)","López, Jorge A. (ORCID:0000000338488729)"],"article_type":"Published Article","doe_contract_number":"SC-0021994; CW46261","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2673-8716","other_identifiers":["Journal ID: ISSN 2673-8716; DYNACW; PII: dynamics4010009"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311222"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311222"}]}, {"osti_id":"2290409","title":"Quantum chemical modeling of hydrogen binding in metal–organic frameworks: validation, insight, predictions and challenges","doi":"10.1039/D3CP05540J","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 8","description":"<p>\n A detailed chemical understanding of H\n <sub>2<\/sub>\n interactions with binding sites in the nanoporous crystalline structure of metal–organic frameworks (MOFs) can lay a sound basis for the design of new sorbent materials.\n <\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"8","journal_volume":"26","format":"Medium: X; Size: p. 6490-6511","authors":["Chakraborty, Romit [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA, Department of Chemistry, University of California, Berkeley, CA 94720, USA] (ORCID:0000000246386346)","Talbot, Justin J. [Department of Chemistry, University of California, Berkeley, CA 94720, USA] (ORCID:0000000188954893)","Shen, Hengyuan [Department of Chemistry, University of California, Berkeley, CA 94720, USA]","Yabuuchi, Yuto [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA, Department of Chemistry, University of California, Berkeley, CA 94720, USA] (ORCID:000000033034558X)","Carsch, Kurtis M. [Department of Chemistry, University of California, Berkeley, CA 94720, USA]","Jiang, Henry Z. H. [Department of Chemistry, University of California, Berkeley, CA 94720, USA]","Furukawa, Hiroyasu [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA, Department of Chemistry, University of California, Berkeley, CA 94720, USA] (ORCID:0000000260821738)","Long, Jeffrey R. [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA, Department of Chemistry, University of California, Berkeley, CA 94720, USA, Department of Chemical and Biomedical Engineering, University of California, Berkeley, CA 94720, USA] (ORCID:0000000253241321)","Head-Gordon, Martin [Department of Chemistry, University of California, Berkeley, CA 94720, USA, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA] (ORCID:0000000243096669)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290409"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290409"}]}, {"osti_id":"2310995","title":"A post-merger enhancement only in star-forming Type 2 Seyfert galaxies: the deep learning view","doi":"10.1093/mnras/stae183","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 528 Journal Issue: 4","description":"<title>ABSTRACT<\/title>\n <p>Supermassive black holes require a reservoir of cold gas at the centre of their host galaxy in order to accrete and shine as active galactic nuclei (AGN). Major mergers have the ability to drive gas rapidly inwards, but observations trying to link mergers with AGN have found mixed results due to the difficulty of consistently identifying galaxy mergers in surveys. This study applies deep learning to this problem, using convolutional neural networks trained to identify simulated post-merger galaxies from survey-realistic imaging. This provides a fast and repeatable alternative to human visual inspection. Using this tool, we examine a sample of ∼8500 Seyfert 2 galaxies ($L[\\mathrm{O\\, {\\small III}}] \\sim 10^{38.5 - 42}$ erg s−1) at z < 0.3 in the Sloan Digital Sky Survey and find a merger fraction of $2.19_{-0.17}^{+0.21}$ per cent compared with inactive control galaxies, in which we find a merger fraction of $2.96_{-0.20}^{+0.26}$ per cent, indicating an overall lack of mergers among AGN hosts compared with controls. However, matching the controls to the AGN hosts in stellar mass and star formation rate reveals that AGN hosts in the star-forming blue cloud exhibit a ∼2 × merger enhancement over controls, while those in the quiescent red sequence have significantly lower relative merger fractions, leading to the observed overall deficit due to the differing M*–SFR distributions. We conclude that while mergers are not the dominant trigger of all low-luminosity, obscured AGN activity in the nearby Universe, they are more important to AGN fuelling in galaxies with higher cold gas mass fractions as traced through star formation.<\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"4","journal_volume":"528","format":"Medium: X; Size: p. 6915-6933","authors":["Avirett-Mackenzie, M. S.","Villforth, C. (ORCID:0000000289566654)","Huertas-Company, M. (ORCID:0000000214168483)","Wuyts, S. (ORCID:0000000337351931)","Alexander, D. M.","Bonoli, S.","Lapi, A. (ORCID:0000000248821735)","Lopez, I. E. (ORCID:0000000346878401)","Ramos Almeida, C. (ORCID:000000018353649X)","Shankar, F. (ORCID:0000000189735051)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310995"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310995"}]}, {"osti_id":"2311034","title":"Ground far-red sun-induced chlorophyll fluorescence and vegetation indices in the US Midwestern agroecosystems","doi":"10.1038/s41597-024-03004-w","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Scientific Data Journal Volume: 11 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Sun-induced chlorophyll fluorescence (SIF) provides an opportunity to study terrestrial ecosystem photosynthesis dynamics. However, the current coarse spatiotemporal satellite SIF products are challenging for mechanistic interpretations of SIF signals. Long-term ground SIF and vegetation indices (VIs) are important for satellite SIF validation and mechanistic understanding of the relationship between SIF and photosynthesis when combined with leaf- and canopy-level auxiliary measurements. In this study, we present and analyze a total of 15 site-years of ground far-red SIF (SIF at 760 nm, SIF\n <sub>760<\/sub>\n ) and VIs datasets from soybean, corn, and miscanthus grown in the U.S. Corn Belt from 2016 to 2021. We introduce a comprehensive data processing protocol, including different retrieval methods, calibration coefficient adjustment, and nadir SIF footprint upscaling to match the eddy covariance footprint. This long-term ground far-red SIF and VIs dataset provides important and first-hand data for far-red SIF interpretation and understanding the mechanistic relationship between far-red SIF and canopy photosynthesis across various crop species and environmental conditions.\n <\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Data","journal_issue":"1","journal_volume":"11","format":"Medium: X","authors":["Wu, Genghong (ORCID:0000000262276390)","Guan, Kaiyu","Kimm, Hyungsuk","Miao, Guofang","Yang, Xi (ORCID:0000000250956735)","Jiang, Chongya"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2052-4463","other_identifiers":["Journal ID: ISSN 2052-4463; 228; PII: 3004"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311034"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311034"}]}, {"osti_id":"2311032","title":"The role of isotope mass on neutral fueling and density pedestal structure in the DIII-D tokamak","doi":"10.1088/1741-4326/ad2113","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion Journal Volume: 64 Journal Issue: 4","description":"Experimental measurements on DIII-D of hydrogen neutral penetration lengths (λn0) on the high field side are longer by a factor of √2 than for deuterium consistent with the thermal velocity ratio for neutrals at the same temperature (v<sub>th<\/sub><sup>H<\/sup> / v<sub>th<\/sub><sup>H<\/sup> = √2). This ratio is constant for both low and high pedestal electron density. At low pedestal density (n<sub>e<\/sub> ~4 × 10<sup>19<\/sup>m<sup>-3<\/sup>), the neutral penetration length is greater than the density pedestal width for both isotopes, and the additional 41% increase of neutral penetration in hydrogen widens the pedestal by the same amount. As the density pedestal height increases (n<sub>e<\/sub> ~6 × 10<sup>19<\/sup>m<sup>-3<\/sup>), the neutral penetration lengths drop below the density pedestal widths for both isotopes, and the increased penetration of hydrogen has no increased effect on the pedestal width compared to deuterium. Here, extrapolating to future reactor-relevant high electron density pedestals, the isotope-mass increase on neutral fueling on the high field side in hydrogen will be negligible (0.2-0.4cm) in comparison to estimates of the width of the density pedestal (6-8.5 cm). Extrapolating to other isotopes compared to deuterium, while hydrogen is an increase of 41% \\ (√2 \\sim 1.41), moving from deuterium to tritium the neutral penetration will decrease 19% (√(2/3) \\sim 0.81) implying the isotope mass effect on neutral fueling in the pedestal will be negligible in a D-T reactor.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","journal_issue":"4","journal_volume":"64","format":"Medium: X; Size: Article No. 046008","authors":["Chaban, R. A. (ORCID:0000000243154822)","Mordijck, S.","Rosenthal, A. M. (ORCID:0000000261491136)","Bortolon, A. (ORCID:0000000200940209)","Hughes, J. W. (ORCID:0000000348024944)","Knolker, M. (ORCID:0000000284688767)","Laggner, F. M.","Osborne, T. H.","Schmitz, L. (ORCID:0000000313460914)","Thome, K. E. (ORCID:0000000248013922)","Wilks, T. M. (ORCID:000000029675678X)"],"article_type":"Published Article","doe_contract_number":"SC0019302; FC02-04ER54698; SC0014264, SC0020287; AC02-09CH11466","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[{"name":"General Atomics, San Diego, CA (United States)"}],"research_orgs":["General Atomics, San Diego, CA (United States)"],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311032"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311032"}]}, {"osti_id":"2290418","title":"Ionic Peltier effect in Li-ion electrolytes","doi":"10.1039/D3CP05998G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 8","description":"<p>Peltier heat effect related to ion transport in Li-ion thermogalvanic cell.<\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"8","journal_volume":"26","format":"Medium: X; Size: p. 6708-6716","authors":["Cheng, Zhe [Department of Materials Science and Engineering and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA]","Huang, Yu-Ju [Department of Materials Science and Engineering and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA] (ORCID:0009000069639476)","Zahiri, Beniamin [Department of Materials Science and Engineering and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA]","Kwon, Patrick [Department of Materials Science and Engineering and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA]","Braun, Paul V. [Department of Materials Science and Engineering and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA, Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA, Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA, Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA] (ORCID:0000000340798160)","Cahill, David G. [Department of Materials Science and Engineering and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA, Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA]"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290418"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290418"}]}, {"osti_id":"2311191","title":"How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?","doi":"10.1063/5.0182773","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Chemical Physics; Journal Volume: 160; Journal Issue: 8","description":"Recently developed locally scaled self-interaction correction (LSIC) is a one-electron SIC method that, when used with a ratio of kinetic energy densities (z<sub>σ<\/sub>) as iso-orbital indicator, performs remarkably well for both thermochemical properties as well as for barrier heights overcoming the paradoxical behavior of the well-known Perdew–Zunger self-interaction correction (PZSIC) method. In this work, we examine how well the LSIC method performs for the delocalization error. Our results show that both LSIC and PZSIC methods correctly describe the dissociation of $H$$^{+}_{2}$ and $H$$^{+}_{2}$ but LSIC is overall more accurate than the PZSIC method. Likewise, in the case of the vertical ionization energy of an ensemble of isolated He atoms, the LSIC and PZSIC methods do not exhibit delocalization errors. For the fractional charges, both LSIC and PZSIC significantly reduce the deviation from linearity in the energy vs number of electrons curve, with PZSIC performing superior for C, Ne, and Ar atoms while for Kr they perform similarly. The LSIC performs well at the endpoints (integer occupations) while substantially reducing the deviation. The dissociation of LiF shows both LSIC and PZSIC dissociate into neutral Li and F but only LSIC exhibits charge transfer from Li<sup>+<\/sup> to F<sup>–<\/sup> at the expected distance from the experimental data and accurate ab initio data. Overall, both the PZSIC and LSIC methods reduce the delocalization errors substantially.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Journal of Chemical Physics","journal_issue":"8","journal_volume":"160","format":"Medium: ED; Size: Article No. 084102","authors":["Zope, Rajendra R. [University of Texas at El Paso, TX (United States)] (ORCID:0000000246266491)","Yamamoto, Yoh [University of Texas at El Paso, TX (United States)] (ORCID:000000029599206X)","Baruah, Tunna [University of Texas at El Paso, TX (United States)] (ORCID:0000000299655247)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Density functional theory","Exchange correlation functionals","Correlation energy","Random phase approximation","Condensed matter physics","Many electron systems","Electrostatics","Generalized gradient approximations","Ions and properties","Delocalization"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0018331","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Central Michigan Univ., Mount Pleasant, MI (United States)"}],"research_orgs":["Central Michigan Univ., Mount Pleasant, MI (United States)"],"journal_issn":"ISSN 0021-9606","other_identifiers":["Journal ID: ISSN 0021-9606"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311191"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311191"}]}, {"osti_id":"2311031","title":"Dynamic Structural Change of Plant Epidermal Cell Walls under Strain","doi":"10.1002/smll.202311832","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Small","description":"<title>Abstract<\/title>\n <p>The molecular foundations of epidermal cell wall mechanics are critical for understanding structure–function relationships of primary cell walls in plants and facilitating the design of bioinspired materials. To uncover the molecular mechanisms regulating the high extensibility and strength of the cell wall, the onion epidermal wall is stretched uniaxially to various strains and cell wall structures from mesoscale to atomic scale are characterized. Upon longitudinal stretching to high strain, epidermal walls contract in the transverse direction, resulting in a reduced area. Atomic force microscopy shows that cellulose microfibrils exhibit orientation‐dependent rearrangements at high strains: longitudinal microfibrils are straightened out and become highly ordered, while transverse microfibrils curve and kink. Small‐angle X‐ray scattering detects a 7.4 nm spacing aligned along the stretch direction at high strain, which is attributed to distances between individual cellulose microfibrils. Furthermore, wide‐angle X‐ray scattering reveals a widening of (004) lattice spacing and contraction of (200) lattice spacing in longitudinally aligned cellulose microfibrils at high strain, which implies longitudinal stretching of the cellulose crystal. These findings provide molecular insights into the ability of the wall to bear additional load after yielding: the aggregation of longitudinal microfibrils impedes sliding and enables further stretching of the cellulose to bear increased loads.<\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Small","format":"Medium: X","authors":["Yu, Jingyi [Department of Biology Pennsylvania State University University Park PA 16802 USA] (ORCID:0000000233801053)","Del Mundo, Joshua T. [Department of Chemical Engineering Pennsylvania State University University Park PA 16802 USA] (ORCID:0000000298061201)","Freychet, Guillaume [National Synchrotron Light Source II Brookhaven National Laboratory Upton NY 11973 USA]","Zhernenkov, Mikhail [National Synchrotron Light Source II Brookhaven National Laboratory Upton NY 11973 USA]","Schaible, Eric [Advanced Light Source Lawrence Berkeley National Laboratory 1 Cyclotron Road Berkeley CA 94720 USA]","Gomez, Esther W. [Department of Chemical Engineering Pennsylvania State University University Park PA 16802 USA, Department of Biomedical Engineering Pennsylvania State University University Park PA 16802 USA]","Gomez, Enrique D. [Department of Chemical Engineering Pennsylvania State University University Park PA 16802 USA, Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA, Materials Research Institute Pennsylvania State University University Park PA 16802 USA]","Cosgrove, Daniel J. [Department of Biology Pennsylvania State University University Park PA 16802 USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1613-6810","other_identifiers":["Journal ID: ISSN 1613-6810; 2311832"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311031"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311031"}]}, {"osti_id":"2282916","title":"Stepwise post-synthetic linker installation in rare-earth metal–organic frameworks","doi":"10.1039/D3TC04365G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry C Journal Volume: 12 Journal Issue: 8","description":"<p>\n Secondary linkers with different length are installed in a stepwise fashion inside rare-earth MOFs consisting of less connected RE\n <sub>6<\/sub>\n clusters.\n <\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry C","journal_issue":"8","journal_volume":"12","format":"Medium: X; Size: p. 2836-2842","authors":["Hu, Yuchen [Department of Chemistry, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, USA]","Khoo, Rebecca Shu Hui [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA]","Pang, Aiying [School of Chemistry and Chemical Engineering, Huaiyin Normal University, Jiangsu Engineering Laboratory for Environment Functional Materials, Jiangsu Collaborative Innovation Center of Regional Modern Agriculture & Environmental Protection, No. 111 West Changjiang Road, Huaian, Jiangsu 223300, China]","Yang, Sizhuo [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA]","Fiankor, Christian [Department of Chemistry, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, USA] (ORCID:0009000052998835)","Zhang, Xu [School of Chemistry and Chemical Engineering, Huaiyin Normal University, Jiangsu Engineering Laboratory for Environment Functional Materials, Jiangsu Collaborative Innovation Center of Regional Modern Agriculture & Environmental Protection, No. 111 West Changjiang Road, Huaian, Jiangsu 223300, China]","Zhang, Jian [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA] (ORCID:0000000302740814)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7526","other_identifiers":["Journal ID: ISSN 2050-7526; JMCCCX"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282916"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282916"}]}, {"osti_id":"2311027","title":"In-cylinder spray evolution in a motored central-injection gasoline engine: Imaging and simulating the effects of flash-boiling and intake crossflow","doi":"10.1177/14680874241231623","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: International Journal of Engine Research","description":"<p>Accurate predictions of fuel spray behavior and mixture formation in simulations of direct-injection spark-ignition (DISI) engines are fundamental to ensure proper description of all subsequent processes including ignition, combustion, and emissions. In this work, the spray evolution in a single-cylinder optical DISI engine was studied experimentally and numerically with the goal of enabling predictive computational fluid dynamics (CFD) modeling of in-cylinder sprays. The authors explored a wide range of operating conditions characterized by several fuel injection temperatures and engine speeds, using a well-characterized nine-component gasoline surrogate known as PACE-20. The effect of flash boiling and intake crossflow on the spray is discussed, with a focus on evaluating the ability of the spray models to capture highly transient spray behavior. In the experiments, the fuel temperature was varied between 20°C and 80°C, allowing for non-flash- to flash-boiling transition to emerge with enhanced flashing intensity at the highest temperatures. Spray collapse resulted in vapor-rich regions, owing to the locally lower inertia of the fluid. Varying the engine speed from 650 to 1950 rpm promoted increasingly more turbulent in-cylinder crossflow which interacted with the spray during the injection event and resulted in enhanced spray dispersion. The CFD model was able to capture the spray morphology transition at different fuel temperatures and engine speeds adequately. It is shown that the spray breakup model could capture the transitional spray behavior induced by flash boiling atomization and intake flow via proper initialization of the spray cone angle and calibration of the spray models’ constants.<\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"SAGE Publications","journal_name":"International Journal of Engine Research","format":"Medium: X","authors":["Guo, Hengjie [Department for Advanced Propulsion and Power, Argonne National Laboratory, Lemont, IL, USA] (ORCID:0000000215762249)","Torelli, Roberto [Department for Advanced Propulsion and Power, Argonne National Laboratory, Lemont, IL, USA] (ORCID:0000000152766225)","Kim, Namho [Combustion Research Facility, Sandia National Laboratories, Livermore, CA, USA]","Reuss, David L. [Combustion Research Facility, Sandia National Laboratories, Livermore, CA, USA] (ORCID:0000000322695192)","Sjöberg, Magnus [Combustion Research Facility, Sandia National Laboratories, Livermore, CA, USA] (ORCID:0000000242885607)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1468-0874","other_identifiers":["Journal ID: ISSN 1468-0874; 14680874241231623"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311027"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311027"}]}, {"osti_id":"2282211","title":"<i>CoeffNet<\/i>\n : predicting activation barriers through a chemically-interpretable, equivariant and physically constrained graph neural network","doi":"10.1039/D3SC04411D","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Chemical Science Journal Volume: 15 Journal Issue: 8","description":"<p>\n <italic>CoeffNet<\/italic>\n uses coefficients of molecular orbitals of reactants and products to predict activation barriers.\n <\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Chemical Science","journal_issue":"8","journal_volume":"15","format":"Medium: X; Size: p. 2923-2936","authors":["Vijay, Sudarshan [Department of Materials Science and Engineering, University of California, Berkeley, 210 Hearst Memorial Mining Building, Berkeley, CA, 94720 USA, Materials Science Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720 USA] (ORCID:0000000182420161)","Venetos, Maxwell C. [Department of Materials Science and Engineering, University of California, Berkeley, 210 Hearst Memorial Mining Building, Berkeley, CA, 94720 USA, Materials Science Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720 USA]","Spotte-Smith, Evan Walter Clark [Department of Materials Science and Engineering, University of California, Berkeley, 210 Hearst Memorial Mining Building, Berkeley, CA, 94720 USA, Materials Science Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720 USA] (ORCID:000000031554197X)","Kaplan, Aaron D. [Materials Science Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720 USA]","Wen, Mingjian [Department of Chemical and Biomolecular Engineering, University of Houston, Houston, Texas 77204, USA]","Persson, Kristin A. [Department of Materials Science and Engineering, University of California, Berkeley, 210 Hearst Memorial Mining Building, Berkeley, CA, 94720 USA, The Molecular Foundry, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720 USA]"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-6520","other_identifiers":["Journal ID: ISSN 2041-6520; CSHCBM"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282211"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282211"}]}, {"osti_id":"2317740","title":"How technoscientific knowledge advances: A Bell-Labs-inspired architecture","report_number":"SAND-2024-02425J","doi":"10.1016/j.respol.2024.104983","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Research Policy; Journal Volume: 53; Journal Issue: 4","description":"Understanding how science and technology advance has long been of interest to diverse scholarly communities. Thus far, however, such understanding has not been easy to map to, and thus to improve, the operational practice of research and development. Indeed, one might argue that the operational practice of research and development, particularly its exploratory research half, has become less effective in recent decades. In this paper, we describe a rethinking of how science and technology advance, one that is consistent with many (though not all) of the perspectives of the scholarly communities just mentioned, and one that helps bridge the divide between theory and practice. In conclusion, the result is an architecture we call “Bell\'s Dodecants,” to reflect its six mechanisms and two flavors, and their balanced nurturing at Bell Labs, the iconic 20th century industrial research and development laboratory.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Elsevier","journal_name":"Research Policy","journal_issue":"4","journal_volume":"53","format":"Medium: ED; Size: Article No. 104983","authors":["Narayanamurti, Venkatesh [Harvard Univ., Cambridge, MA (United States)]","Tsao, Jeffrey Y. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]"],"subjects":["96 KNOWLEDGE MANAGEMENT AND PRESERVATION","Technoscientific method","Scientific method","Engineering method","Question-and-answer-finding","Punctuated equilibria","R&D","Bell Labs"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0048-7333","other_identifiers":["Journal ID: ISSN 0048-7333"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317740"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317740"}]}, {"osti_id":"2281623","title":"From insulator to semiconductor: effect of host–guest interactions on charge transport in M-MOF-74 metal–organic frameworks","doi":"10.1039/D3TC04155G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry C Journal Volume: 12 Journal Issue: 8","description":"<p>Here, we report an air-free approach to infiltrate isostructural metal–organic frameworks (MOFs), M-MOF-74 (M = Cu, Mn, Zn, Mg), with conjugated acceptor 7,7,8,8-tetracyanoquinodimethane (TCNQ).<\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry C","journal_issue":"8","journal_volume":"12","format":"Medium: X; Size: p. 2699-2704","authors":["Angel, Sydney M. [Department of Chemistry and Biochemistry, California State University, Chico, Chico, CA 95973, USA]","Barnett, Nicholas S. [Department of Chemistry and Biochemistry, California State University, Chico, Chico, CA 95973, USA, Department of Physics, University of Illinois, Chicago, Chicago, IL, USA]","Talin, A. Alec [Sandia National Laboratories, Livermore, CA 94551, USA]","Foster, Michael E. [Sandia National Laboratories, Livermore, CA 94551, USA]","Stavila, Vitalie [Sandia National Laboratories, Livermore, CA 94551, USA] (ORCID:0000000309810432)","Allendorf, Mark D. [Sandia National Laboratories, Livermore, CA 94551, USA] (ORCID:0000000156458246)","So, Monica C. [Department of Chemistry and Biochemistry, California State University, Chico, Chico, CA 95973, USA] (ORCID:0000000290444806)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7526","other_identifiers":["Journal ID: ISSN 2050-7526; JMCCCX"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281623"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281623"}]}, {"osti_id":"2311006","title":"From Molecular Constraints to Macroscopic Dynamics in Associative Networks Formed by Ionizable Polymers: A Neutron Spin Echo and Molecular Dynamics Simulations Study","doi":"10.1021/acspolymersau.3c00049","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Polymers Au","description":"The association of ionizable polymers strongly affects their motion in solutions, where the constraints arising from clustering of the ionizable groups alter the macroscopic dynamics. The interrelation between the motion on multiple length and time scales is fundamental to a broad range of complex fluids including physical networks, gels, and polymer-nanoparticle complexes where long-lived associations control their structure and dynamics. Using neutron spin echo and fully atomistic, multimillion atom molecular dynamics (MD) simulations carried out to times comparable to that of chain segmental motion, the current study resolves the dynamics of networks formed by polystyrene sulfonate solutions for sulfonation fractions 0 ≤ f ≤ 0.09 across time and length scales. The experimental dynamic structure factors were measured and compared with computational ones, calculated from MD simulations, and analyzed in terms of a sum of two exponential functions, providing two distinctive time scales. These time constants capture confined motion of the network and fast dynamics of the highly solvated segments. A unique relationship between the polymer dynamics and the size and distribution of the ionic clusters was 2 established and correlated with the number of polymer chains that participate in each cluster. The correlation of dynamics in associative complex fluids across time and length scales, enabled by combining the understanding attained from reciprocal space through neutron spin echo and real space, through large scale MD studies, addresses a fundamental long-standing challenge that underline the behavior of soft materials and affect their potential uses","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Polymers Au","format":"Medium: X","authors":["Kosgallana, Chathurika [Department of Chemistry, Clemson University, Clemson, South Carolina 29634, United States]","Wijesinghe, Sidath [Department of Chemistry, Clemson University, Clemson, South Carolina 29634, United States, Department of ChemistryAppalachian State University, Boone, North Carolina 26808, United States] (ORCID:0000000248121034)","Senanayake, Manjula [Department of Chemistry, Clemson University, Clemson, South Carolina 29634, United States] (ORCID:0000000231390625)","Mohottalalage, Supun S. [Department of Chemistry, Clemson University, Clemson, South Carolina 29634, United States]","Ohl, Michael [Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States] (ORCID:0000000286568005)","Zolnierczuk, Piotr [Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States]","Grest, Gary S. [Sandia National Laboratories, Albuquerque, New Mexico 87175, United States] (ORCID:0000000252609788)","Perahia, Dvora [Department of Chemistry, Clemson University, Clemson, South Carolina 29634, United States, Department of Physics, Clemson University, Clemson, South Carolina 29631, United States] (ORCID:0000000284868645)"],"subjects":["36 MATERIALS SCIENCE","97 MATHEMATICS AND COMPUTING","ionomer solutions","suflonated polystyrene","neutron spin echo","molecular dynamics simulations","exascale computing","dynamics"],"article_type":"Published Article","doe_contract_number":"AC02- 05CH11231.; NA-0003525; SC0019284; AC02-05CH11231; NA0003525; MRI-1725573","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Clemson Univ., SC (United States)"}],"research_orgs":["Clemson Univ., SC (United States)"],"journal_issn":"ISSN 2694-2453","other_identifiers":["Journal ID: ISSN 2694-2453; acspolymersau.3c00049"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311006"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311006"}]}, {"osti_id":"2311237","title":"Haar-Like Wavelets on Hierarchical Trees","doi":"10.1007/s10915-024-02466-9","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Scientific Computing; Journal Volume: 99; Journal Issue: 1","description":"Here, discrete wavelet methods, originally formulated in the setting of regularly sampled signals, can be adapted to data defined on a point cloud if some multiresolution structure is imposed on the cloud. A wide variety of hierarchical clustering algorithms can be used for this purpose, and the multiresolution structure obtained can be encoded by a hierarchical tree of subsets of the cloud. Prior work introduced the use of Haar-like bases defined with respect to such trees for approximation and learning tasks on unstructured data. This paper builds on that work in two directions. First, we present an algorithm for constructing Haar-like bases on general discrete hierarchical trees. Second, with an eye towards data compression, we present thresholding techniques for data defined on a point cloud with error controlled in the $L$<sup>$\\infty$<\/sup> norm and in a Hölder-type norm. In a concluding trio of numerical examples, we apply our methods to compress a point cloud dataset, study the tightness of the $L$<sup>$\\infty$<\/sup> error bound, and use thresholding to identify MNIST classifiers with good generalizability.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Springer","journal_name":"Journal of Scientific Computing","journal_issue":"1","journal_volume":"99","format":"Medium: ED; Size: Article No. 3","authors":["Archibald, Rick [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000245389780)","Whitney, Ben [Univ. of Wisconsin, Eau Claire, WI (United States)]"],"subjects":["97 MATHEMATICS AND COMPUTING","Unstructured data","Lossy compression","Euclidean metric approximation"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)"}],"sponsor_orgs":["USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0885-7474","other_identifiers":["Journal ID: ISSN 0885-7474"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311237"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311237"}]}, {"osti_id":"2323420","title":"Chemical composition based machine learning model to predict defect formation in additive manufacturing","report_number":"PNNL-SA-189350","doi":"10.1016/j.mtla.2024.102041","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Materialia; Journal Volume: 33","description":"With a goal of exploiting additive manufacturing to improve the manufacturing of existing reactor materials, we developed a chemical composition-based machine learning model to predict the printability of any given alloy in laser powder bed fusion (L-PBF) using experimental data from peer-reviewed literature. We defined printability as the ability to avoid defects like cracking, balling, porosity, and lack of fusion, that are caused by thermal stresses (during solidification or liquation), molten pool disintegration into disconnected small beads or lack of heat input respectively. Our models predict the tendency of balling defect formation and porosity percentage for a given composition, under a given set of processing conditions. To predict the likelihood of balling defect, three models: a random forest classifier, a gradient boost regressor and a neural network were trained on a dataset containing both traditional alloys and high entropy alloys. The neural network model showed the highest accuracy of 92.3 % in predicting the balling defect formation. A random forest regressor, gradient boost regressor and neural network were trained and tested on a dataset of various alloys to predict porosity. The random forest regressor showed the best predictions with an R<sup>2<\/sup> score of 0.97. The models also revealed the relative importance of the input descriptors on defect-formation tendency. Of particular significance was the identification of carbon as an important element in determining the occurrence of balling and percent porosity in alloys like steel, as well as being moderately important to the percentage porosity in other alloys as well as steel. Manganese was also identified as a key descriptor for the percentage of porosity in steel and other alloys. Manganese’s low thermal conductivity and consistent presence in the dataset is the likely cause for its contribution. Carbon’s role is attributable to its relatively high specific heat and high melting temperature. In conclusion, our model serves as a swift, chemistry-based tool to design experiments and find modified compositions better suited for additive manufacturing.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Elsevier","journal_name":"Materialia","journal_volume":"33","format":"Medium: ED; Size: Article No. 102041","authors":["Roy, Ankit [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000334519217)","Swope, Andrew [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000337074399)","Devanathan, Ram [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000181254237)","Van Rooyen, Isabella J. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]"],"subjects":["artificial intelligence","additive manufacturing","chemical composition","laser powder bed fusion","printability","machine learning","defects"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE)"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2589-1529","other_identifiers":["Journal ID: ISSN 2589-1529"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323420"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323420"}]}, {"osti_id":"2317729","title":"Elucidate the molecular basis of ampholytic chitosan as a high-performance cryoprotectant to myosin denaturation: The importance of saccharide charges","doi":"10.1016/j.foodhyd.2024.109915","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Food Hydrocolloids; Journal Volume: 152; Journal Issue: 1","description":"The uses of charged poly/oligo-saccharides enable the retarding of protein denaturation against various environmental stresses during food storage and manufacturing. However, at subzero temperatures, the molecular basis of such stabilization behaviors, i.e., cryoprotections, remain less explored. Here, in this study, we introduced an ampholytic saccharide, carboxymethyl chitooligosaccharide (CMCO) that effectively inhibited the freezing-induced myosin denaturation. The in-depth cryoprotective mechanism was systematically investigated by using molecular dynamic simulation and multispectral characterizations. Results showed that CMCO may interact with myosin through hydrogen bonding and electrostatic interactions, which caused the expelling of water at protein surfaces and the reduced conformational flexibility of myosin molecules. Due to this water replacement event, both secondary and ternary structures of myosin became freezing-resistant, leading to the inhibited protein aggregations and retained functionalities, such as solubility, Ca<sup>2+<\/sup>-ATPase activity, and gelling properties. Moreover, cryoprotective behaviors of CMCO were charge-dependent. CMCO with a higher degree of carboxymethyl substitution (DS: 1.2) was inclined to bind and stabilize myosin molecules better than the low-DS (DS: 0.8) one, even though both outperformed other cryoprotective saccharides. Therefore, this investigation not only introducing a high-performance myosin cryoprotectant, but also elaborated the cryoprotective mechanism of ampholytic saccharides.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Elsevier","journal_name":"Food Hydrocolloids","journal_issue":"1","journal_volume":"152","format":"Medium: ED; Size: Article No. 109915","authors":["Zhang, Ting [Hubei University of Technology, Wuhan (China)]","Teng, Yongxin [South China University of Technology (China); Huazhong Agricultural University, Wuhan (China)]","He, Yaluan [Hubei University of Technology, Wuhan (China)]","Li, Yonghui [Kansas State Univ., Manhattan, KS (United States)] (ORCID:0000000343200806)","Yuan, Yue [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000327297580)","Li, Bin [Huazhong Agricultural University, Wuhan (China)]","Chen, Yijie [Huazhong Agricultural University, Wuhan (China)]","Zhu, Xiangwei [Hubei University of Technology, Wuhan (China)] (ORCID:0000000339598102)"],"subjects":["ampholytic saccharide","cryoprotections","myosin","protein-saccharide complexation","molecular dynamic simulation"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0268-005X","other_identifiers":["Journal ID: ISSN 0268-005X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317729"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317729"}]}, {"osti_id":"2246981","title":"Mixed quantum/classical calculations of rotationally inelastic scattering in the CO + CO system: a comparison with fully quantum results","doi":"10.1039/D3CP05369E","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 8","description":"<p>Coordinates used to describe the CO dimer interaction.<\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"8","journal_volume":"26","format":"Medium: X; Size: p. 6627-6637","authors":["Bostan, Dulat [Chemistry Department, Marquette University, Milwaukee, Wisconsin 53201-1881, USA] (ORCID:0009000725041027)","Mandal, Bikramaditya [Chemistry Department, Marquette University, Milwaukee, Wisconsin 53201-1881, USA] (ORCID:0000000166820376)","Joy, Carolin [Chemistry Department, Marquette University, Milwaukee, Wisconsin 53201-1881, USA] (ORCID:0009000103681660)","Żółtowski, Michał [Univ Rennes, CNRS, IPR (Institut de Physique de Rennes)-UMR 6251, F-35000 Rennes, France]","Lique, François [Univ Rennes, CNRS, IPR (Institut de Physique de Rennes)-UMR 6251, F-35000 Rennes, France] (ORCID:0000000206642536)","Loreau, Jérôme [KU Leuven, Department of Chemistry, B-3001 Leuven, Belgium] (ORCID:0000000261421509)","Quintas-Sánchez, Ernesto [Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409, USA] (ORCID:0000000243788745)","Batista-Planas, Adrian [Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409, USA]","Dawes, Richard [Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409, USA] (ORCID:0000000224934671)","Babikov, Dmitri [Chemistry Department, Marquette University, Milwaukee, Wisconsin 53201-1881, USA] (ORCID:0000000246677645)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"SC0019740; AC02-5CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2246981"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2246981"}]}, {"osti_id":"2311009","title":"Mn Additive Improves Zr Grain Boundary Diffusion for Sintering of a Y-Doped BaZrO\n <sub>3<\/sub>\n Proton Conductor","doi":"10.1021/acsami.3c16359","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Applied Materials and Interfaces Journal Volume: 16 Journal Issue: 9","description":"Yttrium-doped barium zirconate (BZY) has garnered attention as a protonic conductor in intermediate-temperature electrolysis and fuel cells due to its high bulk proton conductivity and excellent chemical stability. However, the performance of BZY can be further enhanced by reducing the concentration and resistance of grain boundaries. In this study, we investigate the impact of manganese (Mn) additives on the sinterability and proton conductivity of Y-doped BaZrO<sub>3<\/sub> (BZY). By employing a combinatorial pulsed laser deposition (PLD) technique, we synthesized BZY thin films with varying Mn concentrations and sintering temperatures. Our results revealed a significant enhancement in sinterability as Mn concentrations increased, leading to larger grain sizes and lower grain boundary concentrations. These improvements can be attributed to the elevated grain boundary diffusion of zirconium (Zr) cations, which enhances material densification. We also observed a reduction in Goldschmidt’s tolerance factor with increased Mn substitution, which can improve proton transport. The high proton conduction of BZY with Mn additives in low-temperature and wet hydrogen environments makes it a promising candidate for protonic ceramic electrolysis cells and fuel cells. Our findings not only advance the understanding of Mn additives in BZY materials but also demonstrate a high-throughput combinatorial thin film approach to select additives for other perovskite materials with importance in mass and charge transport applications.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Applied Materials and Interfaces","journal_issue":"9","journal_volume":"16","format":"Medium: X; Size: p. 11646-11655","authors":["Heo, Su Jeong [Materials Science Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States, Advanced Fuel Cycle Technology Development Division, Korea Atomic Energy Research Institute, 111 Daedeok-daero, Daejeon 34057, South Korea] (ORCID:0000000279339714)","Harvey, Steven P. [Materials Science Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States] (ORCID:0000000161207062)","Norman, Andrew G. [Materials Science Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States] (ORCID:000000016368521X)","Rahman, Muhammad Anisur [Department of Materials Science and Engineering, University of Connecticut, Storrs, Connecticut 06269, United States]","Singh, Prabhakar [Department of Materials Science and Engineering, University of Connecticut, Storrs, Connecticut 06269, United States] (ORCID:0000000250004902)","Zakutayev, Andriy [Materials Science Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States] (ORCID:0000000230545525)"],"subjects":["BZY","protonic conductor","intermediate temperature","electrochemistry","combinatorial thin films","pulsed laser deposition","additives","diffusion","grain boundaries","sintering","transition metals"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 1944-8244","other_identifiers":["Journal ID: ISSN 1944-8244"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311009"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311009"}]}, {"osti_id":"2311830","title":"Ultrahigh-precision Compton polarimetry at 2 GeV","report_number":"JLAB-PHY-23-3924; DOE/OR/23177-7148","doi":"10.1103/physrevc.109.024323","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. C; Journal Volume: 109; Journal Issue: 2","description":"Here we report a high precision measurement of electron beam polarization using Compton polarimetry. The measurement was made in experimental Hall A at Jefferson Lab during the CREX experiment in 2020. A precision of dP/P = 0.36% was achieved detecting the back-scattered photons from the Compton scattering process. This is the highest precision in a measurement of electron beam polarization using Compton scattering ever reported, surpassing the ground-breaking measurement from the SLD Compton polarimeter. Such precision reaches the level required for the future flagship measurements to be made by the MOLLER and SoLID Experiments.","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. C","journal_issue":"2","journal_volume":"109","format":"Medium: ED; Size: Article No. 024323","authors":["Zec, A. [University of Virginia, Charlottesville, VA (United States)] (ORCID:0000000322075487)","Premathilake, S. [University of Virginia, Charlottesville, VA (United States)]","Cornejo, J. C. [Carnegie Mellon University, Pittsburgh, PA (United States)]","Dalton, M. M. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)] (ORCID:0000000192047559)","Gal, C. [University of Virginia, Charlottesville, VA (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); State University of New York (SUNY), Stony Brook, NY (United States)] (ORCID:0000000300762120)","Gaskell, D. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)] (ORCID:0000000154634867)","Gericke, M. [University of Manitoba, Winnipeg, MB (Canada)] (ORCID:0000000289768192)","Halilovic, I. [University of Manitoba, Winnipeg, MB (Canada)]","Liu, H. [University of Massachusetts, Amherst, MA (United States)]","Mammei, J. [University of Manitoba, Winnipeg, MB (Canada)]","Michaels, R. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)]","Palatchi, C. [University of Virginia, Charlottesville, VA (United States); State University of New York (SUNY), Stony Brook, NY (United States)]","Pan, J. [University of Manitoba, Winnipeg, MB (Canada)]","Paschke, K. D. [University of Virginia, Charlottesville, VA (United States)] (ORCID:0000000187948221)","Quinn, B. [Carnegie Mellon University, Pittsburgh, PA (United States)] (ORCID:000000032800986X)","Zhang, J. [State University of New York (SUNY), Stony Brook, NY (United States); Shandong University, Qingdao, Shandong (China)] (ORCID:0000000244781289)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","74 ATOMIC AND MOLECULAR PHYSICS","beam diagnostics","beam polarization","Compton scattering","electron beam and optics","polarization phenomena","spin polarization","electrons","laser applications"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-06OR23177; FG02-87ER40315; FG02-07ER41522","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"}],"research_orgs":["Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"],"journal_issn":"ISSN 2469-9985","other_identifiers":["Journal ID: ISSN 2469-9985"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311830"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311830"}]}, {"osti_id":"2311023","title":"Identification of an X-Band Clock Transition in Cp′\n <sub>3<\/sub>\n Pr\n <sup>–<\/sup>\n Enabled by a 4f\n <sup>2<\/sup>\n 5d\n <sup>1<\/sup>\n Configuration","doi":"10.1021/jacs.3c12725","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society Journal Volume: 146 Journal Issue: 9","description":"Molecular qubits offer an attractive basis for quantum information processing, but challenges remain with regard to sustained coherence. Qubits based on clock transitions offer a method to improve the coherence times. We propose a general strategy for identifying molecules with high-frequency clock transitions in systems where a d electron is coupled to a crystal-field singlet state of an f configuration, resulting in an M<sub>J<\/sub> = ±1/2 ground state with strong hyperfine coupling. Using this approach, a 9.834 GHz clock transition was identified in a molecular Pr complex, [K(crypt)][Cp\'<sub>3<\/sub>Pr<sup>II<\/sup>], leading to 3-fold enhancements in T<sub>2<\/sub> relative to other transitions in the spectrum. This result indicates the promise of the design principles outlined here for the further development of f-element systems for quantum information applications.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of the American Chemical Society","journal_issue":"9","journal_volume":"146","format":"Medium: X; Size: p. 5781-5785","authors":["Smith, Patrick W. [Lawrence Berkeley National Laboratory, One Cyclotron Road, Berkeley, California 94720, United States] (ORCID:0000000155754895)","Hrubý, Jakub [National High Magnetic Field Laboratory, 1800 East Paul Dirac Drive, Tallahassee, Florida 32310, United States]","Evans, William J. [Department of Chemistry, University of California, Irvine, Irvine, California 92697, United States] (ORCID:000000020651418X)","Hill, Stephen [National High Magnetic Field Laboratory, 1800 East Paul Dirac Drive, Tallahassee, Florida 32310, United States, Department of Physics, Florida State University, Tallahassee, Florida 32306, United States] (ORCID:0000000167423620)","Minasian, Stefan G. [Lawrence Berkeley National Laboratory, One Cyclotron Road, Berkeley, California 94720, United States] (ORCID:0000000313467497)"],"subjects":["Electron paramagnetic resonance spectroscopy","Energy levels","Hamiltonians","Magnetic properties","Quantum mechanics"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311023"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311023"}]}, {"osti_id":"2310996","title":"Evidence of hot carrier extraction in metal halide perovskite solar cells","doi":"10.1002/pip.3777","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Progress in Photovoltaics","description":"<title>Abstract<\/title>\n <p>\n The presence of hot carriers is presented in the operational properties of an (FA,Cs)Pb(I, Br, Cl)\n <sub>3<\/sub>\n solar cell at ambient temperatures and under practical solar concentration. Albeit, in a device architecture that is not suitably designed as a functional hot carrier solar cell. At 100 K, clear evidence of hot carriers is observed in both the high energy tail of the photoluminescence spectra and from the appearance of a nonequilibrium photocurrent at higher fluence in light\n <italic>J–V<\/italic>\n measurements. At room temperature, however, the presence of hot carriers in the emission at elevated laser fluence is shown to compete with a gradual red shift in the PL peak energy as photoinduced halide segregation begins to occur at higher lattice temperature. The effects of thermionic emission of hot carriers and the presence of a nonequilibrium carrier distribution are also shown to be distinct from simple lattice heating. This results in large unsaturated photocurrents at high powers as the Fermi distribution exceeds that of the heterointerface controlling carrier transport and rectification.\n <\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Progress in Photovoltaics","format":"Medium: X","authors":["Sourabh, Shashi [Department of Physics and Astronomy University of Oklahoma Norman Oklahoma 73019 USA]","Afshari, Hadi [Department of Physics and Astronomy University of Oklahoma Norman Oklahoma 73019 USA]","Whiteside, Vincent R. [Department of Physics and Astronomy University of Oklahoma Norman Oklahoma 73019 USA]","Eperon, Giles E. [Swift Solar San Carlos California 94070 USA]","Scheidt, Rebecca A. [National Renewable Energy Laboratory Golden Colorado 80401 USA]","Creason, Tielyr D. [Department of Chemistry &, Biochemistry University of Oklahoma Norman Oklahoma 73019 USA]","Furis, Madalina [Department of Physics and Astronomy University of Oklahoma Norman Oklahoma 73019 USA]","Kirmani, Ahmad R. [National Renewable Energy Laboratory Golden Colorado 80401 USA]","Saparov, Bayram [Department of Chemistry &, Biochemistry University of Oklahoma Norman Oklahoma 73019 USA]","Luther, Joseph M. [National Renewable Energy Laboratory Golden Colorado 80401 USA]","Beard, Matthew C. [National Renewable Energy Laboratory Golden Colorado 80401 USA]","Sellers, Ian R. [Department of Physics and Astronomy University of Oklahoma Norman Oklahoma 73019 USA]"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1062-7995","other_identifiers":["Journal ID: ISSN 1062-7995; pip.3777"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310996"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310996"}]}, {"osti_id":"2317770","title":"Wire directed energy deposition of steel-aluminum structures using cold metal transfer process","doi":"10.1016/j.jmrt.2024.02.110","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Materials Research and Technology; Journal Volume: 29","description":"In this study, a sharp transition from 316L stainless steel to 4043 aluminum alloy was fabricated using wire directed energy deposition (DED) via the cold metal transfer (CMT) process. The CMT process with its inherently low heat input, led to a significant reduction in intermetallic thickness at the bi-metallic interface compared to blown powder DED technique reported in the literature resulting in superior properties when compared to those of dissimilar steel-aluminum welds. Thermo-kinetic modeling confirmed that the intermetallic formation is through a classical nucleation and growth mechanism, and the fraction and thickness can be controlled by adjusting CMT process parameters to kinetically arrest or minimize the intermetallic formation. These findings underscore the efficacy of CMT-based wire DED for fabrication of steel-aluminum bi-metallic structures.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Brazilian Metallurgical, Materials and Mining Association","journal_name":"Journal of Materials Research and Technology","journal_volume":"29","format":"Medium: ED; Size: p. 4537-4546","authors":["Kannan, Rangasayee [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000257925739)","Pierce, Dean [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000304223423)","Nayir, Selda [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000324578467)","Ahsan, Md. Rumman Ul [Tennessee Technological Univ., Cookeville, TN (United States)] (ORCID:0000000226547974)","Kim, DuckBong [Tennessee Technological Univ., Cookeville, TN (United States)]","Unocic, Kinga [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000279114064)","Lee, Yousub [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000255630419)","Jadhav, Sainand [Tennessee Technological Univ., Cookeville, TN (United States)]","Karim, Md Abdul [Tennessee Technological Univ., Cookeville, TN (United States)]","Nandwana, Peeyush [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000251471668)"],"subjects":["additive manufacturing","cold metal transfer","steel","aluminum","bi-material"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2238-7854","other_identifiers":["Journal ID: ISSN 2238-7854"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317770"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2317770"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317770"}]}, {"osti_id":"2310431","title":"Two-moment Neutrino Flavor Transformation with Applications to the Fast Flavor Instability in Neutron Star Mergers","doi":"10.3847/1538-4357/ad13f2","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 963 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Multi-messenger astrophysics has produced a wealth of data with much more to come in the future. This enormous data set will reveal new insights into the physics of core-collapse supernovae, neutron star mergers, and many other objects where it is actually possible, if not probable, that new physics is in operation. To tease out different possibilities, we will need to analyze signals from photons, neutrinos, gravitational waves, and chemical elements. This task is made all the more difficult when it is necessary to evolve the neutrino component of the radiation field and associated quantum-mechanical property of flavor in order to model the astrophysical system of interest—a numerical challenge that has not been addressed to this day. In this work, we take a step in this direction by adopting the technique of angular-integrated moments with a truncated tower of dynamical equations and a closure, convolving the flavor-transformation with spatial transport to evolve the neutrino radiation quantum field. We show that moments capture the dynamical features of fast flavor instabilities in a variety of systems, although our technique is by no means a universal blueprint for solving fast flavor transformation. To evaluate the effectiveness of our moment results, we compare to a more precise particle-in-cell method. Based on our results, we propose areas for improvement and application to complementary techniques in the future.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"1","journal_volume":"963","format":"Medium: X; Size: Article No. 11","authors":["Grohs, Evan (ORCID:0000000294093468)","Richers, Sherwood (ORCID:0000000150316829)","Couch, Sean M. (ORCID:0000000250805996)","Foucart, Francois (ORCID:0000000346174738)","Froustey, Julien (ORCID:0000000264668232)","Kneller, James P. (ORCID:0000000235023830)","McLaughlin, Gail C. (ORCID:0000000168116657)"],"article_type":"Published Article","doe_contract_number":"FG02-02ER41216; SC0015904; AC02-05CH11231; SC0017955","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310431"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310431"}]}, {"osti_id":"2310392","title":"Intermittent Electron-only Reconnection at Lunar Mini-magnetospheres","doi":"10.3847/2041-8213/ad2774","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal. Letters Journal Volume: 963 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Lunar crustal magnetic anomalies (LCMA) are sub-ion-gyroradius structures that have been shown to stand off the solar wind (SW) plasma from the Moon’s surface, forming shock-like discontinuities and reflecting incident SW protons. In this Letter, the results of high-resolution, 2D fully kinetic simulations show a bursty electron-only magnetic reconnection in the SW-LCMA interaction region, characterized by the quasiperiodic formation and ejection of magnetic islands and strong parallel electron flows along the X-point separator lines. The islands are observed to modify the magnetic pressure pileup and Hall electric field above the LCMA, leading to sharp increases in reflected protons that drive electromagnetic fluctuations downstream and short distances upstream in the SW.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal. Letters","journal_issue":"1","journal_volume":"963","format":"Medium: X; Size: Article No. L11","authors":["Stanier, A. (ORCID:0000000160506159)","Chen, L. J. (ORCID:000000024768189X)","Le, A. (ORCID:0000000293816839)","Halekas, J. (ORCID:0000000152586128)","Sawyer, R. (ORCID:0000000210649132)"],"article_type":"Published Article","doe_contract_number":"FWPLANLE7C5","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-8205","other_identifiers":["Journal ID: ISSN 2041-8205"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310392"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310392"}]}, {"osti_id":"2317679","title":"Photon noise correlations in millimeter-wave telescopes","doi":"10.1364/AO.504979","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Optics Journal Volume: 63 Journal Issue: 7","description":"<p>\n Many modern millimeter and submillimeter (“mm-wave”) telescopes for\n\t\t\t\t\tastronomy are deploying more detectors by increasing the detector\n\t\t\t\t\tpixel density and, with the rise of lithographed detector\n\t\t\t\t\tarchitectures and high-throughput readout techniques, it is becoming\n\t\t\t\t\tincreasingly practical to overfill the focal plane. However, when the\n\t\t\t\t\tpixel pitch\n <italic>p<\/italic>\n <sub>pix<\/sub>\n is small compared to the product of\n\t\t\t\t\tthe wavelength\n <italic>λ<\/italic>\n and the focal ratio\n <italic>F<\/italic>\n , or\n <italic>p<\/italic>\n <sub>pix<\/sub>\n ≲1.2\n <italic>F<\/italic>\n <italic>λ<\/italic>\n , the Bose term of the photon noise\n\t\t\t\t\tcorrelates between neighboring detector pixels due to the Hanbury\n\t\t\t\t\tBrown and Twiss (HBT) effect. When this HBT effect is non-negligible,\n\t\t\t\t\tthe array-averaged sensitivity scales with the detector count\n <italic>N<\/italic>\n <sub>det<\/sub>\n less favorably than the uncorrelated\n\t\t\t\t\tlimit of\n <italic>N<\/italic>\n <sub>det<\/sub>\n <sup>−1/2<\/sup>\n . In this paper, we present a general\n\t\t\t\t\tprescription to calculate this HBT correlation based on a quantum\n\t\t\t\t\toptics formalism and extend it to polarization-sensitive detectors. We\n\t\t\t\t\tthen estimate the impact of HBT correlations on the sensitivity of a\n\t\t\t\t\tmodel mm-wave telescope and discuss the implications for a focal plane\n\t\t\t\t\tdesign.\n <\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Optical Society of America","journal_name":"Applied Optics","journal_issue":"7","journal_volume":"63","format":"Medium: X; Size: Article No. 1654","authors":["Hill, Charles A. (ORCID:0000000226416878)","Kusaka, Akito (ORCID:0009000496312451)"],"article_type":"Published Article","doe_contract_number":"AC0205CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1559-128X","other_identifiers":["Journal ID: ISSN 1559-128X; APOPAI"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317679"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317679"}]}, {"osti_id":"2317777","title":"An additively manufactured near-eutectic Al-Ce-Ni-Mn-Zr alloy with high creep resistance","doi":"10.1016/j.actamat.2024.119787","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Acta Materialia; Journal Volume: 268; Journal Issue: 1","description":"A new additively manufactured (AM) Al-7.5Ce-4.5Ni-0.4Mn-0.7Zr (wt.%) near-eutectic alloy is reported, which shows unprecedented creep resistance up to 400 °C (a homologous temperature of 0.72). The eutectic solidification microstructure comprises ~ 27 vol% of coarsening-resistant second phase network with an ultrafine (<100 nm) inter-phase spacing. Both Mn and Zr contribute to creep resistance of the alloy. Small amount of Mn addition promotes selection of coarsening resistant phases without compromising the alloy processability. Zr not only improves hot-tearing resistance, but further enhances the second phase coarsening resistance resulting in improved creep resistance. Neutron diffraction performed during creep deformation reveals that the underlying mechanism for creep resistance in this alloy is impedance to dislocation motion stemming from the ultrafine eutectic solidification microstructure, whereas load transfer strengthening becomes less effective as the creep temperature increases. The second phase forms a continuous network in the as-fabricated condition, which is maintained during long-term creep at 300 °C. However, this network is fragmented into fine dispersoids at higher temperatures. It is proposed that the rate-limiting deformation mechanism at 300–400 °C is (i) dislocation climb for the alloy with fragmented second phase dispersoids and (ii) Orowan looping for the alloy with a continuous second phase network. In conclusion, the present design of an AM-processable multicomponent eutectic alloy with high creep resistance can be applied to other metallic systems exhibiting eutectic reactions, with expected extreme creep resistance.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Elsevier","journal_name":"Acta Materialia","journal_issue":"1","journal_volume":"268","format":"Medium: ED; Size: Article No. 119787","authors":["Bahl, Sumit [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000294715001)","Wu, Tiffany [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Northwestern Univ., Evanston, IL (United States)]","Michi, Richard A. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000194931647)","An, Ke [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000026093429X)","Yu, Dunji [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000189467851)","Allard, Lawrence F. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000245528277)","Rakhmonov, Jovid U. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Poplawsky, Jonathan D. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000242727043)","Fancher, Christopher M. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000239525168)","Dunand, David C. [Northwestern Univ., Evanston, IL (United States)]","Plotkowski, Alex [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000154718681)","Shyam, Amit [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000267224709)"],"subjects":["Aluminum alloys","Eutectic alloys","Additive manufacturing","Creep","Neutron diffraction"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Materials & Manufacturing Technologies Office (AMMTO)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Materials & Manufacturing Technologies Office (AMMTO)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)"],"journal_issn":"ISSN 1359-6454","other_identifiers":["Journal ID: ISSN 1359-6454"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317777"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317777"}]}, {"osti_id":"2322444","title":"Structured Prompt Interrogation and Recursive Extraction of Semantics (SPIRES): a method for populating knowledge bases using zero-shot learning","doi":"10.1093/bioinformatics/btae104","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Bioinformatics Journal Volume: 40 Journal Issue: 3","description":"<title>Abstract<\/title>\n <sec>\n <title>Motivation<\/title>\n <p>Creating knowledge bases and ontologies is a time consuming task that relies on manual curation. AI/NLP approaches can assist expert curators in populating these knowledge bases, but current approaches rely on extensive training data, and are not able to populate arbitrarily complex nested knowledge schemas.<\/p>\n <\/sec>\n <sec>\n <title>Results<\/title>\n <p>Here we present Structured Prompt Interrogation and Recursive Extraction of Semantics (SPIRES), a Knowledge Extraction approach that relies on the ability of Large Language Models (LLMs) to perform zero-shot learning and general-purpose query answering from flexible prompts and return information conforming to a specified schema. Given a detailed, user-defined knowledge schema and an input text, SPIRES recursively performs prompt interrogation against an LLM to obtain a set of responses matching the provided schema. SPIRES uses existing ontologies and vocabularies to provide identifiers for matched elements. We present examples of applying SPIRES in different domains, including extraction of food recipes, multi-species cellular signaling pathways, disease treatments, multi-step drug mechanisms, and chemical to disease relationships. Current SPIRES accuracy is comparable to the mid-range of existing Relation Extraction methods, but greatly surpasses an LLM’s native capability of grounding entities with unique identifiers. SPIRES has the advantage of easy customization, flexibility, and, crucially, the ability to perform new tasks in the absence of any new training data. This method supports a general strategy of leveraging the language interpreting capabilities of LLMs to assemble knowledge bases, assisting manual knowledge curation and acquisition while supporting validation with publicly-available databases and ontologies external to the LLM.<\/p>\n <\/sec>\n <sec>\n <title>Availability and implementation<\/title>\n <p>SPIRES is available as part of the open source OntoGPT package: https://github.com/monarch-initiative/ontogpt.<\/p>\n <\/sec>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"Oxford University Press","journal_name":"Bioinformatics","journal_issue":"3","journal_volume":"40","format":"Medium: X","authors":["Caufield, J. Harry (ORCID:0000000157057831)","Hegde, Harshad (ORCID:000000022411565X)","Emonet, Vincent (ORCID:0000000215011082)","Harris, Nomi L. (ORCID:0000000163153707)","Joachimiak, Marcin P. (ORCID:000000018175045X)","Matentzoglu, Nicolas (ORCID:0000000273561779)","Kim, HyeongSik (ORCID:0000000230029838)","Moxon, Sierra (ORCID:0000000287197760)","Reese, Justin T. (ORCID:0000000221702250)","Haendel, Melissa A. (ORCID:0000000191148737)","Robinson, Peter N. (ORCID:0000000207369199)","Mungall, Christopher J. (ORCID:0000000266012165)","Wren, ed., Jonathan"],"article_type":"Published Article","doe_contract_number":"AC0205CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1367-4803","other_identifiers":["Journal ID: ISSN 1367-4803; btae104"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322444"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322444"}]}, {"osti_id":"2310432","title":"Identifying and Amplifying the Spontaneously Formed Photo‐Charge Contribution in Opaque and Semitransparent Organic Photovoltaics","doi":"10.1002/aenm.202303799","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Energy Materials","description":"<title>Abstract<\/title>\n <p>Spontaneous photo‐charge (SP) generation within the non‐fullerene (NFA) bulk helps avoid exciton (EX) related loss as compared to the traditional heterojunction route in organic solar cells (OSCs). Unfortunately, the promising SP utilization attracts little attention at this time due to the lack of knowledge on its specific contribution to the photovoltaic performance and rational optimization in high‐efficiency devices. To fill the gap, the NFAs’ SP characteristics are related with their photocurrent loss and power conversion efficiency (PCE) in state‐of‐the‐art materials. Though higher SP population is good for efficient EX utilization, it simultaneously acts as an additional photo‐charge recombination channel. The former can be further enhanced by increasing the NFAs’ crystallinity with preferred lamellar growth, and the latter can be suppressed via electric doping. With the aid of the two‐step optimization strategy, the total photocurrent loss is reduced from 14.4% to 4.8%, accompanying with PCE increment from 16.9% to 18.5%. The SP utilization strategy is finally applied in the semitransparent OSCs (ST‐OSCs), due to its less heterojunction area sensitive photo‐charge generation characteristic. A light utilization efficiency (LUE) is then increased from 3.21% to 3.77%. The findings highlight the pursue of efficient SP utilization as a new design philosophy in future OSCs’ progresses.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Energy Materials","format":"Medium: X","authors":["Tang, Yabing [State Key Laboratory for Mechanical Behavior of Materials, School of Materials Science and Engineering Xi\'an Jiaotong University Xi\'an 710049 P. R. China]","Cui, Yu [State Key Laboratory for Mechanical Behavior of Materials, School of Materials Science and Engineering Xi\'an Jiaotong University Xi\'an 710049 P. R. China]","Zhang, Rui [Department of Physics, Chemistry and Biology (IFM) Linköping University Linköping 58183 Sweden]","Xue, Wenyue [State Key Laboratory for Mechanical Behavior of Materials, School of Materials Science and Engineering Xi\'an Jiaotong University Xi\'an 710049 P. R. China]","Ma, Wei [State Key Laboratory for Mechanical Behavior of Materials, School of Materials Science and Engineering Xi\'an Jiaotong University Xi\'an 710049 P. R. China]","Yan, Han [State Key Laboratory for Mechanical Behavior of Materials, School of Materials Science and Engineering Xi\'an Jiaotong University Xi\'an 710049 P. R. China] (ORCID:0000000296937695)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"DE‐AC02‐05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1614-6832","other_identifiers":["Journal ID: ISSN 1614-6832; 2303799"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310432"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310432"}]}, {"osti_id":"1893712","title":"OSIRIS-REx constraints on local dark matter and cosmic neutrino profiles","report_number":"UCI-HEP-TR-2022-11; FERMILAB-PUB-22-753-T-V; arXiv:2210.03749","doi":"10.1088/1475-7516/2024/02/029","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Cosmology and Astroparticle Physics; Journal Volume: 2024; Journal Issue: 02","description":"We derive purely gravitational constraints on dark matter and cosmic neutrino profiles in the solar system using asteroid (101955) Bennu. We focus on Bennu because of its extensive tracking data and high-fidelity trajectory modeling resulting from the OSIRIS-REx mission. We find that the local density of dark matter is bound by $ρ_{DM}$ ≲ 3.3 × 10<sup>-15<\/sup> kg/m<sup>3<\/sup> ≃ 6 × 10<sup>6<\/sup> $\\bar{ρ_{DM}}$, in the vicinity of ~ 1.1 au (where $\\bar{ρ_{DM}}$ ≃ 0.3 GeV/cm<sup>3<\/sup>). We show that high-precision tracking data of solar system objects can constrain cosmic neutrino overdensities relative to the Standard Model prediction n̅ν, at the level of η ≡ nν/n̅ν ≲ 1.7 × 10<sup>11<\/sup>(0.1 eV/m<sub>ν<\/sub>) (Saturn), comparable to the existing bounds from KATRIN and other previous laboratory experiments (with m<sub>ν<\/sub> the neutrino mass). These local bounds have interesting implications for existing and future direct-detection experiments. Our constraints apply to all dark matter candidates but are particularly meaningful for scenarios including solar halos, stellar basins, and axion miniclusters, which predict overdensities in the solar system. Furthermore, introducing a DM-SM long-range fifth force with a strength tilde alphaDtimes stronger than gravity, Bennu can set a constraint on ρDM ≲ $\\bar{ρ_{DM}}$(6 × 10<sup>6<\/sup>/$_{\\tilde{αD}}$). These constraints can be improved in the future as the accuracy of tracking data improves, observational arcs increase, and more missions visit asteroids.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Institute of Physics (IOP)","journal_name":"Journal of Cosmology and Astroparticle Physics","journal_issue":"02","journal_volume":"2024","format":"Medium: ED; Size: Article No. 029","authors":["Tsai, Yu-Dai [University of California, Irvine, CA (United States); Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)] (ORCID:0000000257635758)","Eby, Joshua [University of Tokyo (Japan). Kavli Institute for the Physics and Mathematics of the Universe (WPI)] (ORCID:0000000305629177)","Arakawa, Jason [University of Delaware, Newark, DE (United States); University of California, Irvine, CA (United States)]","Farnocchia, Davide [California Institute of Technology (CalTech), Pasadena, CA (United States). Jet Propulsion Lab. (JPL)] (ORCID:000000030774884X)","Safronova, Marianna S. [University of Delaware, Newark, DE (United States); University of Maryland, College Park, MD (United States); National Inst. of Standards and Technology (NIST), College Park MD (United States)] (ORCID:0000000213054011)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","dark matter experiments","dark matter simulations","dark matter theory","gravity"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11359; FG02-00ER41132; PHY-1915005; PHY-2012068; 21H05451; 21K20366; 80NM0018D0004; PHY-1607611; PHY-1748958","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"},{"name":"National Science Foundation (NSF)"},{"name":"World Premier International Research Center Initiative (WPI)"},{"name":"Japan Society for the Promotion of Science (JSPS)"},{"name":"National Aeronautics and Space Administration (NASA)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)","National Science Foundation (NSF)","World Premier International Research Center Initiative (WPI)","Japan Society for the Promotion of Science (JSPS)","National Aeronautics and Space Administration (NASA)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 1475-7516","other_identifiers":["Journal ID: ISSN 1475-7516; oai:inspirehep.net:2163272"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/1893712"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/1893712"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/1893712"}]}, {"osti_id":"2310394","title":"Controlling the charge of dust particles in an afterglow by modulating the plasma power","doi":"10.1088/1361-6463/ad291c","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Physics. D, Applied Physics Journal Volume: 57 Journal Issue: 20","description":"<title>Abstract<\/title>\n <p>\n A dust particle immersed in a glow-discharge plasma has long been known to have a charge that is\n <italic>negative<\/italic>\n , while the plasma is powered. However, in the afterglow, following the stopping of the plasma power, a large\n <italic>positive<\/italic>\n charge can collect on the particle, as was shown recently for particles in a cathodic sheath. While that outcome of positive charging in the afterglow may be common, an experimental discovery reported here reveals that the opposite outcome is also possible: a particle can develop a\n <italic>negative<\/italic>\n charge in the afterglow, if the plasma had previously been operated with a modulated power. Before stopping the plasma power off altogether, in a run with power modulated at a low duty cycle of 4.5\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <mi mathvariant=\'normal\'>%<\/mi>\n <\/math>\n <inline-graphic href=\'dad291cieqn1.gif\' type=\'simple\'/>\n <\/inline-formula>\n , the particle’s residual charge was negative, but it was positive in a control run without modulation. This result points to a way of controlling the charge of dust particles in a decaying plasma, which can be useful for mitigating defects in semiconductor manufacturing.\n <\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"IOP Publishing","journal_name":"Journal of Physics. D, Applied Physics","journal_issue":"20","journal_volume":"57","format":"Medium: X; Size: Article No. 205202","authors":["Chaubey, Neeraj (ORCID:0000000319649152)","Goree, J."],"article_type":"Published Article","doe_contract_number":"SC0014566; 1672641 and 1689926","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-3727","other_identifiers":["Journal ID: ISSN 0022-3727"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310394"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310394"}]}, {"osti_id":"2290383","title":"Towards predictive control of reversible nanoparticle assembly with solid-binding proteins","doi":"10.1039/D4SM00094C","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Soft Matter Journal Volume: 20 Journal Issue: 8","description":"<p>We combine multiscale modeling with solution and protein engineering to derive design principles for controlling growth and fragmentation pathways in stimuli-responsive protein-nanoparticle assemblies.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Soft Matter","journal_issue":"8","journal_volume":"20","format":"Medium: X; Size: p. 1935-1942","authors":["Cai, Yifeng [Department of Chemical Engineering, University of Washington, Seattle, Washington 98195, USA]","Qi, Xin [Department of Chemical Engineering, University of Washington, Seattle, Washington 98195, USA]","Boese, Julia [Department of Chemical Engineering, University of Washington, Seattle, Washington 98195, USA]","Zhao, Yundi [Department of Chemical Engineering, University of Washington, Seattle, Washington 98195, USA]","Hellner, Brittney [Department of Chemical Engineering, University of Washington, Seattle, Washington 98195, USA]","Chun, Jaehun [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, USA, Levich Institute and Department of Chemical Engineering, CUNY City College of New York, New York, New York 10031, USA] (ORCID:0000000222916496)","Mundy, Christopher J. [Department of Chemical Engineering, University of Washington, Seattle, Washington 98195, USA, Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, USA] (ORCID:0000000313785241)","Baneyx, François [Department of Chemical Engineering, University of Washington, Seattle, Washington 98195, USA] (ORCID:0000000155967903)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1744-683X","other_identifiers":["Journal ID: ISSN 1744-683X; SMOABF"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290383"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290383"}]}, {"osti_id":"2287709","title":"A machine learning approach to robustly determine director fields and analyze defects in active nematics","doi":"10.1039/D3SM01253K","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Soft Matter Journal Volume: 20 Journal Issue: 8","description":"<p>A machine learning model for reliable director fields calculation from raw experimental images of active nematics. The model is accurate, robust to noise and generalizable, enhancing analysis such as the detection and tracking of topological defects.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Soft Matter","journal_issue":"8","journal_volume":"20","format":"Medium: X; Size: p. 1869-1883","authors":["Li, Yunrui [Computer Science Department, Brandeis University, USA] (ORCID:0009000660522304)","Zarei, Zahra [Physics Department, Brandeis University, USA]","Tran, Phu N. [Physics Department, Brandeis University, USA] (ORCID:000000032932292X)","Wang, Yifei [Computer Science Department, Brandeis University, USA]","Baskaran, Aparna [Physics Department, Brandeis University, USA] (ORCID:0000000318999978)","Fraden, Seth [Physics Department, Brandeis University, USA] (ORCID:0000000224209939)","Hagan, Michael F. [Physics Department, Brandeis University, USA] (ORCID:0000000292112434)","Hong, Pengyu [Computer Science Department, Brandeis University, USA] (ORCID:0000000231772754)"],"article_type":"Published Article","doe_contract_number":"SC0022291","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1744-683X","other_identifiers":["Journal ID: ISSN 1744-683X; SMOABF"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287709"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287709"}]}, {"osti_id":"2310417","title":"Simulation of the Multi-Wake Evolution of Two Sandia National Labs/National Rotor Testbed Turbines Operating in a Tandem Layout","doi":"10.3390/en17051000","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Energies Journal Volume: 17 Journal Issue: 5","description":"<p>The future of wind power systems deployment is in the form of wind farms comprised of scores of such large turbines, most likely at offshore locations. Individual turbines have grown in span from a few tens of meters to today’s large turbines with rotor diameters that dwarf even the largest commercial aircraft. These massive dynamical systems present unique challenges at scales unparalleled in prior applications of wind science research. Fundamental to this effort is the understanding of the wind turbine wake and its evolution. Furthermore, the optimization of the entire wind farm depends on the evolution of the wakes of different turbines and their interactions within the wind farm. In this article, we use the capabilities of the Common ODE Framework (CODEF) model for the analysis of the effects of wake–rotor and wake-to-wake interactions between two turbines situated in a tandem layout fully and partially aligned with the incoming wind. These experiments were conducted in the context of a research project supported by the National Rotor Testbed (NRT) program of Sandia National Labs (SNL). Results are presented for a layout which emulates the turbine interspace and relative turbine emplacement found at SNL’s Scaled Wind Technologies Facility (SWiFT), located in Lubbock, Texas. The evolution of the twin-wake interaction generates a very rich series of secondary transitions in the vortex structure of the combined wake. These ultimately affect the wake’s axial velocity patterns, altering the position, number, intensity, and shape of localized velocity-deficit zones in the wake’s cross-section. This complex distribution of axial velocity patterns has the capacity to substantially affect the power output, peak loads, fatigue damage, and aeroelastic stability of turbines located in subsequent rows downstream on the farm.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"MDPI AG","journal_name":"Energies","journal_issue":"5","journal_volume":"17","format":"Medium: X; Size: Article No. 1000","authors":["Baruah, Apurva (ORCID:0000000252354068)","Ponta, Fernando (ORCID:0000000321032864)","Farrell, Alayna (ORCID:000000023555720X)"],"article_type":"Published Article","doe_contract_number":"PO-2074866; PO-2159403","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1996-1073","other_identifiers":["Journal ID: ISSN 1996-1073; ENERGA; PII: en17051000"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310417"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310417"}]}, {"osti_id":"2311219","title":"Linear Time-Invariant Models of a Large Cumulus Ensemble","doi":"10.1175/JAS-D-23-0194.1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Atmospheric Sciences Journal Volume: 81 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Methods in system identification are used to obtain linear time-invariant state-space models that describe how horizontal averages of temperature and humidity of a large cumulus ensemble evolve with time under small forcing. The cumulus ensemble studied here is simulated with cloud-system-resolving models in radiative–convective equilibrium. The identified models extend steady-state linear response functions used in past studies and provide accurate descriptions of the transfer function, the noise model, and the behavior of cumulus convection when coupled with two-dimensional gravity waves. A novel procedure is developed to convert the state-space models into an interpretable form, which is used to elucidate and quantify memory in cumulus convection. The linear problem studied here serves as a useful reference point for more general efforts to obtain data-driven and interpretable parameterizations of cumulus convection.<\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Meteorological Society","journal_name":"Journal of the Atmospheric Sciences","journal_issue":"3","journal_volume":"81","format":"Medium: X; Size: p. 605-627","authors":["Kuang, Zhiming [a Department of Earth and Planetary Sciences, Harvard University, Cambridge, Massachusetts, b Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts] (ORCID:0000000190170350)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-4928","other_identifiers":["Journal ID: ISSN 0022-4928"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311219"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311219"}]}, {"osti_id":"2314982","title":"Development of the tangent linear and adjoint models of the global online chemical transport model MPAS-CO<sub>2<\/sub> v7.3","report_number":"PNNL-SA-188764","doi":"10.5194/gmd-17-1543-2024","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Geoscientific Model Development (Online); Journal Volume: 17; Journal Issue: 4","description":"We describe the development of the tangent linear (TL) and adjoint models of the Model for Prediction Across Scales (MPAS)-CO<sub>2<\/sub> transport model, which is a global online chemical transport model developed upon the non-hydrostatic Model for Prediction Across Scales – Atmosphere (MPAS-A). The primary goal is to make the model system a valuable research tool for investigating atmospheric carbon transport and inverse modeling. First, we develop the TL code, encompassing all CO<sub>2<\/sub> transport processes within the MPAS-CO<sub>2<\/sub> forward model. Then, we construct the adjoint model using a combined strategy involving re-calculation and storage of the essential meteorological variables needed for CO<sub>2<\/sub> transport. This strategy allows the adjoint model to undertake a long-period integration with moderate memory demands. To ensure accuracy, the TL and adjoint models undergo vigorous verifications through a series of standard tests. The adjoint model, through backward-in-time integration, calculates the sensitivity of atmospheric CO<sub>2<\/sub> observations to surface CO<sub>2<\/sub> fluxes and the initial atmospheric CO<sub>2<\/sub> mixing ratio. To demonstrate the utility of the newly developed adjoint model, we conduct simulations for two types of atmospheric CO<sub>2<\/sub> observations, namely the tower-based in situ CO<sub>2<\/sub> mixing ratio and satellite-derived column-averaged CO<sub>2<\/sub> mixing ratio (X<sub>CO<sub>2<\/sub><\/sub>). A comparison between the sensitivity to surface flux calculated by the MPAS-CO<sub>2<\/sub> adjoint model with its counterpart from CarbonTracker–Lagrange (CT-L) reveals a spatial agreement but notable magnitude differences. These differences, particularly evident for X<sub>CO<sub>2<\/sub><\/sub>, might be attributed to the two model systems\' differences in the simulation configuration, spatial resolution, and treatment of vertical mixing processes. Moreover, this comparison highlights the substantial loss of information in the atmospheric CO<sub>2<\/sub> observations due to CT-L\'s spatial domain limitation. Furthermore, the adjoint sensitivity analysis demonstrates that the sensitivities to both surface flux and initial CO<sub>2<\/sub> conditions spread out throughout the entire Northern Hemisphere within a month. MPAS-CO<sub>2<\/sub> forward, TL, and adjoint models stand out for their calculation efficiency and variable-resolution capability, making them competitive in computational cost. In conclusion, the successful development of the MPAS-CO<sub>2<\/sub> TL and adjoint models, and their integration into the MPAS-CO<sub>2<\/sub> system, establish the possibility of using MPAS\'s unique features in atmospheric CO<sub>2<\/sub> transport sensitivity studies and in inverse modeling with advanced methods such as variational data assimilation.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Copernicus Publications, EGU","journal_name":"Geoscientific Model Development (Online)","journal_issue":"4","journal_volume":"17","format":"Medium: ED; Size: p. 1543-1562","authors":["Zheng, Tao [Central Michigan University, Mount Pleasant, MI (United States)] (ORCID:0000000223582416)","Feng, Sha [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC)] (ORCID:0000000223760868)","Steward, Jeffrey [Data Assimilation Intelligence for Space Systems, LLC., Boulder, CO (United States)]","Tian, Xiaoxu [Tomorrow.io, Boston, MA (United States)] (ORCID:0000000228324790)","Baker, David [Colorado State University, Fort Collins, CO (United States)] (ORCID:0000000341444946)","Baxter, Martin [Central Michigan University, Mount Pleasant, MI (United States)]"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; 80HQTR21T0069","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"National Aeronautics and Space Administration (NASA)"}],"sponsor_orgs":["USDOE Office of Science (SC)","National Aeronautics and Space Administration (NASA)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 1991-9603","other_identifiers":["Journal ID: ISSN 1991-9603"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2314982"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2314982"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2314982"}]}, {"osti_id":"2311033","title":"Isopycnal Submesoscale Stirring Crucially Sustaining Subsurface Chlorophyll Maximum in Ocean Cyclonic Eddies","doi":"10.1029/2023GL105793","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Geophysical Research Letters Journal Volume: 51 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>Mesoscale and submesoscale processes have crucial impacts on ocean biogeochemistry, importantly enhancing the primary production in nutrient‐deficient ocean regions. Yet, the intricate biophysical interplay still holds mysteries. Using targeted high‐resolution in situ observations in the South China Sea, we reveal that isopycnal submesoscale stirring serves as the primary driver of vertical nutrient transport to sustain the dome‐shaped subsurface chlorophyll maximum (SCM) within a long‐lived cyclonic mesoscale eddy. Density surface doming at the eddy core increased light exposure for phytoplankton production, while along‐isopycnal submesoscale stirring disrupted the mesoscale coherence and drove significant vertical exchange of tracers. These physical processes play a crucial role in maintaining the elevated phytoplankton biomass in the eddy core. Our findings shed light on the universal mechanism of how mesoscale and submesoscale coupling enhances primary production in ocean cyclonic eddies, highlighting the pivotal role of submesoscale stirring in structuring marine ecosystems.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Geophysical Research Letters","journal_issue":"4","journal_volume":"51","format":"Medium: X","authors":["Cao, Haijin [Key Laboratory of Marine Hazards Forecasting Ministry of Natural Resources Hohai University Nanjing China, College of Oceanography Hohai University Nanjing China] (ORCID:0000000224775228)","Freilich, Mara [Scripps Institution of Oceanography University of California San Diego La Jolla CA USA, Department of Earth, Environmental, and Planetary Sciences Brown University Providence RI USA] (ORCID:0000000304878518)","Song, Xiangzhou [Key Laboratory of Marine Hazards Forecasting Ministry of Natural Resources Hohai University Nanjing China, College of Oceanography Hohai University Nanjing China]","Jing, Zhiyou [State Key Laboratory of Tropical Oceanography South China Sea Institute of Oceanology Chinese Academy of Sciences Guangzhou China] (ORCID:000000034251562X)","Fox‐Kemper, Baylor [Department of Earth, Environmental, and Planetary Sciences Brown University Providence RI USA] (ORCID:0000000228712048)","Qiu, Bo [Department of Oceanography University of Hawaii at Manoa Honolulu HI USA] (ORCID:0000000338416450)","Hetland, Robert D. [Pacific Northwest National Laboratory Richland WA USA] (ORCID:0000000195312119)","Chai, Fei [State Key Laboratory of Marine Environmental Science Xiamen University Xiamen China]","Ruiz, Simón [IMEDEA (CSIC‐UIB) Esporles Spain] (ORCID:0000000293959370)","Chen, Dake [School of Atmospheric Sciences Sun Yat‐sen University and Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) Zhuhai China] (ORCID:0000000281937158)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0094-8276","other_identifiers":["Journal ID: ISSN 0094-8276; e2023GL105793"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311033"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311033"}]}, {"osti_id":"2318601","title":"Determination of the mean energy of fast electron losses and anisotropies through thick-target emission on WEST","doi":"10.1088/1741-4326/ad2f4e","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion","description":"<title>Abstract<\/title>\n <p>A new method to obtain the mean energy of fast electron losses in fusion plasmas using a versatile multi-energy hard x-ray detector is presented. The method is based on measuring the thick-target emission of tungsten in the divertor region produced by fast electron losses interacting with the target and modeling the tungsten spectra by a Monte Carlo code which simulates the interaction between a beam of electrons and a solid target. The mean energy of the fast electron losses is determined through the comparison between the experimental and synthetic emission. The results show that fast electron losses during lower hybrid current drive discharges at WEST have a mean energy of 90-140 keV and represent only 2% of the total heat flux at the target. Additionally, anisotropic hard x-ray emission has been detected for the first time at the WEST core and edge plasma, with opposite directions. It is due to the forward-peak emission of two distinctive populations of fast electrons: co-current fast electrons in the core and counter-current fast electron losses at the inner strike point. In view of future experiments like ITER where electron cyclotron current drive will generate a fast electron population, this technique could serve as a real-time monitor of fast electron losses and eventually feed an actuator on the current drive generation.<\/p>","publication_date":"2024-03-02T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","format":"Medium: X","authors":["Barbui, Tullio (ORCID:0000000234493654)","Delgado-Aparicio, Luis","Stratton, Brentley","Chellaï, Oulfa (ORCID:0000000293402468)","Dumont, Remi (ORCID:000000021030138X)","Hill, Kenneth W. (ORCID:0000000224948125)","Pablant, Novimir Antoniuk (ORCID:0000000166178459)","Peysson, Yves"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318601"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318601"}]}, {"osti_id":"2319203","title":"The Catabolism of Lignin-Derived p-Methoxylated Aromatic Compounds by Rhodococcus jostii RHA1","report_number":"NREL/JA-2A00-88294","doi":"10.1128/aem.02155-23","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied and Environmental Microbiology","description":"Emergent strategies to valorize lignin, an abundant but underutilized aromatic biopolymer, include tandem processes that integrate chemical depolymerization and biological catalysis. To date, aromatic monomers from C-O bond cleavage of lignin have been converted to bioproducts, but the presence of recalcitrant C-C bonds in lignin limits the product yield. A promising chemocatalytic strategy that overcomes this limitation involves phenol methyl protection and autoxidation. Incorporating this into a tandem process requires microbial cell factories able to transform the p-methoxylated products in the resulting methylated lignin stream. In this study, we assessed the ability of Rhodococcus jostii RHA1 to catabolize the major aromatic products in a methylated lignin stream and elucidated the pathways responsible for this catabolism. RHA1 grew on a methylated pine lignin stream, catabolizing the major aromatic monomers: p-methoxybenzoate (p-MBA), veratrate, and veratraldehyde. Bioinformatic analyses suggested that a cytochrome P450, PbdA, and its cognate reductase, PbdB, are involved in p-MBA catabolism. Gene deletion studies established that both pbdA and pbdB are essential for growth on p-MBA and several derivatives. Furthermore, a deletion mutant of a candidate p-hydroxybenzoate (p-HBA) hydroxylase, ..delta..pobA, did not grow on p-HBA. Veratraldehyde and veratrate catabolism required both vanillin dehydrogenase (Vdh) and vanillate O-demethylase (VanAB), revealing previously unknown roles of these enzymes. Finally, a ..delta..pcaL strain grew on neither p-MBA nor veratrate, indicating they are catabolized through the ..beta..-ketoadipate pathway. This study expands our understanding of the bacterial catabolism of aromatic compounds and facilitates the development of biocatalysts for lignin valorization.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","journal_name":"Applied and Environmental Microbiology","format":"Medium: X","authors":["Wolf, Megan E.","Lalande, Anne T.","Newman, Brianne L.","Bleem, Alissa C.","Palumbo, Chad T.","Beckham, Gregg T. (ORCID:000000023480212X)","Eltis, Lindsay D."],"subjects":["BIOMASS FUELS","aromatic biopolymers","biological catalysis","c-c bond cleavage","chemical depolymerization","lignin valorization"],"article_type":"","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office","USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"other_identifiers":["MainId:89069;UUID:a5c24426-dbd1-44ab-a9c6-dec5e18028fe;MainAdminId:72013"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319203"}]}, {"osti_id":"2311209","title":"Operando Investigation of the Molecular Origins of Dipole Switching in P(VDF‐TrFE‐CFE) Terpolymer for Large Adiabatic Temperature Change","doi":"10.1002/adfm.202314705","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Functional Materials","description":"<title>Abstract<\/title>\n <p>\n Relaxor ferroelectric polymers exhibiting a giant electrocaloric effect (ECE) can potentially be used to create next‐generation solid‐state coolers. Under an electric field, poly(vinylidene fluoride‐trifluoroethylene‐chlorofluoroethylene) terpolymer goes through a large dipolar entropy change producing a high adiabatic temperature change (Δ\n <italic>T<\/italic>\n <sub>ECE<\/sub>\n ). This work resolves the molecular origins of the large entropy change behind the electric field‐induced dipole switching. A Fourier transform infrared spectroscopy equipped with a high voltage source is used to operandoly observe the characteristic molecular vibrational modes. A short‐range trans (T) conformation of the CF\n <sub>2<\/sub>\n ‐CH\n <sub>2<\/sub>\n dyads interrupted by a gauche (G) conformation, e.g., TTTG in the terpolymer chain, undergoes a dynamic transformation that leads to a corresponding Δ\n <italic>T<\/italic>\n <sub>ECE<\/sub>\n whenever an electric field is applied. The molecular dynamics simulation also proves that the energy barrier that the transformation from TTTGs into a long T sequence overcomes is smaller than that for all other conformations. A mixed solvent system is used to obtain T3G‐enriched terpolymer films exhibiting a 4.02 K Δ\n <italic>T<\/italic>\n <sub>ECE<\/sub>\n at 60 MV\n <sup> <\/sup>\n m\n <sup>−1<\/sup>\n and these films are employed to manufacture a 2‐layer‐cascaded cooling device that achieves a 6.7 K temperature lift, the highest reported value for a 2‐layer cascaded device made of fluoropolymers.\n <\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Functional Materials","format":"Medium: X","authors":["Zhu, Yuan [Department of Materials Sciences and Engineering Henry Samueli School of Engineering and Applied Science University of California Los Angeles CA 90095 USA]","Wu, Hanxiang [Department of Materials Sciences and Engineering Henry Samueli School of Engineering and Applied Science University of California Los Angeles CA 90095 USA] (ORCID:0000000285568468)","Martin, Andrew [Energy Storage, Distributed Resources Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA]","Beck, Paige [Energy Storage, Distributed Resources Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA]","Allahyarov, Elshad [Department of Macromolecular Science and Engineering Case Western Reserve University Cleveland OH 44106–7202 USA, Institut für Theoretische Physik II: Weiche Materie Heinrich‐Heine Universität Düsseldorf 40225 Düsseldorf Germany, Theoretical Department Joint Institute for High Temperatures, RAS Moscow 125412 Russia]","Wongwirat, Thumawadee [Department of Macromolecular Science and Engineering Case Western Reserve University Cleveland OH 44106–7202 USA]","Rui, Guanchun [Department of Macromolecular Science and Engineering Case Western Reserve University Cleveland OH 44106–7202 USA]","Zhu, Yingke [Department of Materials Sciences and Engineering Henry Samueli School of Engineering and Applied Science University of California Los Angeles CA 90095 USA]","Hawthorne, Daniel [Energy Storage, Distributed Resources Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA]","Fan, Jiacheng [Department of Materials Sciences and Engineering Henry Samueli School of Engineering and Applied Science University of California Los Angeles CA 90095 USA]","Wu, Jianghan [Department of Materials Sciences and Engineering Henry Samueli School of Engineering and Applied Science University of California Los Angeles CA 90095 USA]","Zhang, Siyu [Department of Materials Sciences and Engineering Henry Samueli School of Engineering and Applied Science University of California Los Angeles CA 90095 USA]","Zhu, Lei [Department of Macromolecular Science and Engineering Case Western Reserve University Cleveland OH 44106–7202 USA]","Kaur, Sumanjeet [Energy Storage, Distributed Resources Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA]","Pei, Qibing [Department of Materials Sciences and Engineering Henry Samueli School of Engineering and Applied Science University of California Los Angeles CA 90095 USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1616-301X","other_identifiers":["Journal ID: ISSN 1616-301X; 2314705"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311209"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311209"}]}, {"osti_id":"2310413","title":"Symmetric dicyanobenzothiadiazole (DCBT) dyes with a 1.5 eV excited state reduction potential range","doi":"10.1039/D3RA06575H","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: RSC Advances Journal Volume: 14 Journal Issue: 10","description":"<p>Dicyanobenzothiadiazole based dyes have shown exceptional tunability of oxidizing strength and absorption energy. The photophysical thermodynamic and kinetic properties are studied with desirable properties shown for future use in photocatalysis.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"RSC Advances","journal_issue":"10","journal_volume":"14","format":"Medium: X; Size: p. 6521-6531","authors":["Li, Qing Yun [Department of Chemistry and Biochemistry, University of Mississippi, University, 322 Coulter Hall, MS 38677, USA] (ORCID:0000000167235195)","Lambert, Ethan C. [Department of Chemistry and Biochemistry, University of Mississippi, University, 322 Coulter Hall, MS 38677, USA] (ORCID:0000000168939071)","Kaur, Ravinder [Department of Chemistry and Biochemistry, University of Mississippi, University, 322 Coulter Hall, MS 38677, USA] (ORCID:0000000293944451)","Hammer, Nathan I. [Department of Chemistry and Biochemistry, University of Mississippi, University, 322 Coulter Hall, MS 38677, USA] (ORCID:0000000262212709)","Delcamp, Jared H. [Department of Chemistry and Biochemistry, University of Mississippi, University, 322 Coulter Hall, MS 38677, USA, Materials and Manufacturing Directorate, Air Force Research Laboratory, 2230 Tenth Street, Wright-Patterson AFB, OH 45433, USA] (ORCID:0000000153134078)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2046-2069","other_identifiers":["Journal ID: ISSN 2046-2069; RSCACL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310413"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310413"}]}, {"osti_id":"2310402","title":"The reverse quantum limit and its implications for unconventional quantum oscillations in YbB12","doi":"10.1038/s41467-024-45801-2","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n The quantum limit in a Fermi liquid, realized when a single Landau level is occupied in strong magnetic fields, gives rise to unconventional states, including the fractional quantum Hall effect and excitonic insulators. Stronger interactions in metals with nearly localized\n <italic>f<\/italic>\n -electron degrees of freedom increase the likelihood of these unconventional states. However, access to the quantum limit is typically impeded by the tendency of\n <italic>f<\/italic>\n -electrons to polarize in a strong magnetic field, consequently weakening the interactions. In this study, we propose that the quantum limit in such systems must be approached in reverse, starting from an insulating state at zero magnetic field. In this scenario, Landau levels fill in the reverse order compared to regular metals and are closely linked to a field-induced insulator-to-metal transition. We identify YbB\n <sub>12<\/sub>\n as a prime candidate for observing this effect and propose the presence of an excitonic insulator state near this transition.\n <\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Mizzi, Christopher A.","Kushwaha, Satya K.","Rosa, Priscila F. S. (ORCID:000000023437548X)","Phelan, W. Adam","Arellano, David C.","Pressley, Lucas A.","McQueen, Tyrel M. (ORCID:0000000284934630)","Chan, Mun K. (ORCID:0000000288089040)","Harrison, Neil (ORCID:0000000154567756)"],"article_type":"Published Article","doe_contract_number":"20210320ER; LANLF101; SC0019331","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1607; PII: 45801"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310402"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310402"}]}, {"osti_id":"2315611","title":"The Simons Observatory: Cryogenic half wave plate rotation mechanism for the small aperture telescopes","doi":"10.1063/5.0178066","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Review of Scientific Instruments; Journal Volume: 95; Journal Issue: 2","description":"We present the requirements, design, and evaluation of the cryogenic continuously rotating half-wave plate (CHWP) for the Simons Observatory (SO). SO is a cosmic microwave background polarization experiment at Parque Astronómico de Atacama in northern Chile that covers a wide range of angular scales using both small (Ø0.42 m) and large (Ø6 m) aperture telescopes. In particular, the small aperture telescopes (SATs) focus on large angular scales for primordial B-mode polarization. To this end, the SATs employ a CHWP to modulate the polarization of the incident light at 8 Hz, suppressing atmospheric 1/f noise and mitigating systematic uncertainties that would otherwise arise due to the differential response of detectors sensitive to orthogonal polarizations. The CHWP consists of a 505 mm diameter achromatic sapphire HWP and a cryogenic rotation mechanism, both of which are cooled down to ~50 K to reduce detector thermal loading. Under normal operation, the HWP is suspended by a superconducting magnetic bearing and rotates with a constant 2 Hz frequency, controlled by an electromagnetic synchronous motor. We find that the number of superconductors and the number of magnets that make up the superconducting magnetic bearing are important design parameters, especially for the rotation mechanism’s vibration performance. The rotation angle is detected through an angular encoder with a noise level of 0.07 μrad √ $\\overline{s}$. During a cooldown process, the rotor is held in place by a grip-and-release mechanism that serves as both an alignment device and a thermal path. In this paper, we provide an overview of the SO SAT CHWP: its requirements, hardware design, and laboratory performance.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Review of Scientific Instruments","journal_issue":"2","journal_volume":"95","format":"Medium: ED; Size: Article No. 024504","authors":["Yamada, K. [Univ. of Tokyo (Japan)] (ORCID:0000000302212130)","Bixler, B. [Univ. of San Diego, La Jolla, CA (United States)] (ORCID:0009000843126814)","Sakurai, Y. [Okayama Univ. (Japan); Univ. of Tokyo, Chiba (Japan)] (ORCID:0000000163890117)","Ashton, P. C. [Univ. of Tokyo, Chiba (Japan); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)] (ORCID:0009000516730504)","Sugiyama, J. [Univ. of Tokyo (Japan)] (ORCID:0009000774359082)","Arnold, K. [Univ. of San Diego, La Jolla, CA (United States)] (ORCID:0000000234075305)","Begin, J. [Princeton Univ., NJ (United States)] (ORCID:0000000326074676)","Corbett, L. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)] (ORCID:0000000212271786)","Day-Weiss, S. [Princeton Univ., NJ (United States)] (ORCID:0009000358142087)","Galitzki, N. [Univ. of Texas, Austin, TX (United States); Texas Center for Cosmology and Astroparticle Physics, Austin, TX (United States)] (ORCID:0000000172256679)","Hill, C. A. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)] (ORCID:0000000226416878)","Johnson, B. R. [Univ. of Virginia, Charlottesville, VA (United States)] (ORCID:0000000268988938)","Jost, B. [Univ. of Tokyo, Chiba (Japan)] (ORCID:000000020819751X)","Kusaka, A. [Univ. of Tokyo, Chiba (Japan); Univ. of Tokyo (Japan); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0009000496312451)","Koopman, B. J. [Yale Univ., New Haven, CT (United States)] (ORCID:0000000307442808)","Lashner, J. [Yale Univ., New Haven, CT (United States)] (ORCID:0000000265226284)","Lee, A. T. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)] (ORCID:0000000331063218)","Mangu, A. [Univ. of California, Berkeley, CA (United States)] (ORCID:0009000010283524)","Nishino, H. [Univ. of Tokyo (Japan)] (ORCID:0000000307383369)","Page, L. A. [Princeton Univ., NJ (United States)] (ORCID:0000000298283525)","Randall, M. J. [Univ. of San Diego, La Jolla, CA (United States)] (ORCID:0009000998062317)","Sasaki, D. [Univ. of Tokyo (Japan)] (ORCID:0009000325132608)","Song, X. [Univ. of California, Berkeley, CA (United States)] (ORCID:0009000888047861)","Spisak, J. [Univ. of San Diego, La Jolla, CA (United States)] (ORCID:0000000317898550)","Tsan, T. [Univ. of San Diego, La Jolla, CA (United States)] (ORCID:0000000216672544)","Wang, Y. [Princeton Univ., NJ (United States)] (ORCID:0000000287100914)","Williams, P. A. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000339207669)"],"subjects":["47 OTHER INSTRUMENTATION"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-05CH11231; GBMF7939","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"},{"name":"Gordon and Betty Moore Foundation (GBMF)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)","Gordon and Betty Moore Foundation (GBMF)"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 0034-6748","other_identifiers":["Journal ID: ISSN 0034-6748; ark:/13030/qt5w20p0fv"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315611"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2315611"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315611"}]}, {"osti_id":"2310414","title":"Quantifying wildfire drivers and predictability in boreal peatlands using a two-step error-correcting machine learning framework in TeFire v1.0","doi":"10.5194/gmd-17-1525-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Geoscientific Model Development (Online) Journal Volume: 17 Journal Issue: 4","description":"<p>Abstract. Wildfires are becoming an increasing challenge to the sustainability of boreal peatland (BP) ecosystems and can alter the stability of boreal carbon storage. However, predicting the occurrence of rare and extreme BP fires proves to be challenging, and gaining a quantitative understanding of the factors, both natural and anthropogenic, inducing BP fires remains elusive. Here, we quantified the predictability of BP fires and their primary controlling factors from 1997 to 2015 using a two-step correcting machine learning (ML) framework that combines multiple ML classifiers, regression models, and an error-correcting technique. We found that (1) the adopted oversampling algorithm effectively addressed the unbalanced data and improved the recall rate by 26.88 %–48.62 % when using multiple datasets, and the error-correcting technique tackled the overestimation of fire sizes during fire seasons; (2) nonparametric models outperformed parametric models in predicting fire occurrences, and the random forest machine learning model performed the best, with the area under the receiver operating characteristic curve ranging from 0.83 to 0.93 across multiple fire datasets; and (3) four sets of factor-control simulations consistently indicated the dominant role of temperature, air dryness, and climate extreme (i.e., frost) for boreal peatland fires, overriding the effects of precipitation, wind speed, and human activities. Our findings demonstrate the efficiency and accuracy of ML techniques in predicting rare and extreme fire events and disentangle the primary factors determining BP fires, which are critical for predicting future fire risks under climate change.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Geoscientific Model Development (Online)","journal_issue":"4","journal_volume":"17","format":"Medium: X; Size: p. 1525-1542","authors":["Tang, Rongyun","Jin, Mingzhou (ORCID:0000000223878129)","Mao, Jiafu (ORCID:0000000220507373)","Ricciuto, Daniel M. (ORCID:0000000236683021)","Chen, Anping (ORCID:0000000320853863)","Zhang, Yulong"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","subjects":[],"orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER). Earth & Environmental Systems Science (EESS)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Biological and Environmental Research (BER). Earth & Environmental Systems Science (EESS)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1991-9603","other_identifiers":["Journal ID: ISSN 1991-9603"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310414"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310414"}]}, {"osti_id":"2310422","title":"Multiscale Flow for robust and optimal cosmological analysis","doi":"10.1073/pnas.2309624121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 9","description":"<p>We propose Multiscale Flow, a generative Normalizing Flow that creates samples and models the field-level likelihood of two-dimensional cosmological data such as weak lensing. Multiscale Flow uses hierarchical decomposition of cosmological fields via a wavelet basis and then models different wavelet components separately as Normalizing Flows. The log-likelihood of the original cosmological field can be recovered by summing over the log-likelihood of each wavelet term. This decomposition allows us to separate the information from different scales and identify distribution shifts in the data such as unknown scale-dependent systematics. The resulting likelihood analysis can not only identify these types of systematics, but can also be made optimal, in the sense that the Multiscale Flow can learn the full likelihood at the field without any dimensionality reduction. We apply Multiscale Flow to weak lensing mock datasets for cosmological inference and show that it significantly outperforms traditional summary statistics such as power spectrum and peak counts, as well as machine learning–based summary statistics such as scattering transform and convolutional neural networks. We further show that Multiscale Flow is able to identify distribution shifts not in the training data such as baryonic effects. Finally, we demonstrate that Multiscale Flow can be used to generate realistic samples of weak lensing data.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"9","journal_volume":"121","format":"Medium: X","authors":["Dai, Biwei [Berkeley Center for Cosmological Physics and Department of Physics, University of California, Berkeley, CA 94720, Physics Division, Lawrence Berkeley National Lab, Berkeley, CA 94720] (ORCID:0000000327340294)","Seljak, Uroš [Berkeley Center for Cosmological Physics and Department of Physics, University of California, Berkeley, CA 94720, Physics Division, Lawrence Berkeley National Lab, Berkeley, CA 94720, Department of Astronomy, University of California, Berkeley, CA 94720] (ORCID:000000032262356X)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2309624121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310422"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310422"}]}, {"osti_id":"2310389","title":"The Effect of Intracrystalline Water on the Mechanical Properties of Olivine at Room Temperature","report_number":"LLNL-JRNL-853683","doi":"10.1029/2023GL106325","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Geophysical Research Letters Journal Volume: 51 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>The effect of small concentrations of intracrystalline water on the strength of olivine is significant at asthenospheric temperatures but is poorly constrained at lower temperatures applicable to the shallow lithosphere. We examined the effect of water on the yield stress of olivine during low‐temperature plasticity using room‐temperature Berkovich nanoindentation. The presence of water in olivine (1,600 ppm H/Si) does not affect hardness or yield stress relative to dry olivine (≤40 ppm H/Si) outside of uncertainty but may slightly reduce Young’s modulus. Differences between water‐bearing and dry crystals in similar orientations were minor compared to differences between dry crystals in different orientations. These observations suggest water content does not affect the strength of olivine at low homologous temperatures. Thus, intracrystalline water does not play a role in olivine deformation at these temperatures, implying that water does not lead to weakening in the coldest portions of the mantle.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Geophysical Research Letters","journal_issue":"4","journal_volume":"51","format":"Medium: X","authors":["Kumamoto, Kathryn M. [Lawrence Livermore National Laboratory Livermore CA USA, Department of Earth and Environmental Sciences University of Minnesota Minneapolis MN USA] (ORCID:0000000204006333)","Hansen, Lars N. [Department of Earth and Environmental Sciences University of Minnesota Minneapolis MN USA] (ORCID:0000000162121842)","Breithaupt, Thomas [Department of Earth Sciences University of Cambridge Cambridge UK] (ORCID:000000026137022X)","Wallis, David [Department of Earth Sciences University of Cambridge Cambridge UK] (ORCID:0000000192123734)","Li, Bo‐Shiuan [Department of Materials University of Oxford Oxford UK]","Armstrong, David E. J. [Department of Materials University of Oxford Oxford UK] (ORCID:0000000250675108)","Goldsby, David L. [Department of Earth and Environmental Science University of Pennsylvania Philadelphia PA USA] (ORCID:0000000290040086)","Li, Yang (Will) [Department of Earth and Environmental Sciences University of Minnesota Minneapolis MN USA]","Warren, Jessica M. [Department of Earth Sciences University of Delaware Newark DE USA] (ORCID:0000000240464200)","Wilkinson, Angus J. [Department of Materials University of Oxford Oxford UK] (ORCID:0000000288014102)"],"subjects":["58 GEOSCIENCES","olivine","deformation","low-temperature plasticity","water","nanoindentation"],"article_type":"Published Article","doe_contract_number":"AC52-07NA27344; EAR-1255620; EAR-1625032; EAR-1806791; EAR-2022433","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 0094-8276","other_identifiers":["Journal ID: ISSN 0094-8276; e2023GL106325"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310389"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310389"}]}, {"osti_id":"2294155","title":"DFT+\n <i>U<\/i>\n and quantum Monte Carlo study of electronic and optical properties of AgNiO\n <sub>2<\/sub>\n and AgNi\n <sub>\n 1−\n <i>x<\/i>\n <\/sub>\n Co\n <sub>\n <i>x<\/i>\n <\/sub>\n O\n <sub>2<\/sub>\n delafossite","doi":"10.1039/D3CP03477A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 8","description":"<p>\n In addition to the semiconducting phase in AgNi\n <sub>0.66<\/sub>\n Co\n <sub>0.33<\/sub>\n O\n <sub>2<\/sub>\n , it is found that the coexistence of metallic phase when more than\n <italic>x<\/italic>\n = 0.33 of Co dopant is substituted in the single layer of NiO\n <sub>2<\/sub>\n in AgNi\n <sub>0.66<\/sub>\n Co\n <sub>0.33<\/sub>\n O\n <sub>2<\/sub>\n .\n <\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"8","journal_volume":"26","format":"Medium: X; Size: p. 6967-6976","authors":["Shin, Hyeondeok [Computational Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA] (ORCID:0000000169330989)","Ganesh, Panchapakesan [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA] (ORCID:0000000271702902)","Kent, Paul R. C. [Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA] (ORCID:0000000155394017)","Benali, Anouar [Computational Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA] (ORCID:0000000221330338)","Bhattacharya, Anand [Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, USA]","Lee, Ho Nyung [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA] (ORCID:0000000221803975)","Heinonen, Olle [Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, USA] (ORCID:0000000236186092)","Krogel, Jaron T. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA] (ORCID:000000021859181X)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294155"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294155"}]}, {"osti_id":"2310259","title":"Hybridized magnonic materials for THz frequency applications","doi":"10.1063/5.0189678","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Physics Letters; Journal Volume: 124; Journal Issue: 8","description":"The capability of magnons to hybridize and strongly couple with diverse excitations offers a promising avenue for realizing and controlling emergent properties that hold significant potential for applications in devices, circuits, and information processing. In this Letter, we present recent theoretical and experimental developments in magnon-based hybrid systems, focusing on the combination of magnon excitation in an antiferromagnet with other excitations, namely, plasmons in a topological insulator, phonons in a 2D antiferromagnetic (2D AFM), and photons. Here, the existence of THz frequency magnons, plasmons, and phonons makes magnon-based hybrid systems particularly appealing for high-operating-speed devices. In this context, we explore several directions to advance magnon hybrid systems, including strong coupling between a surface plasmon and magnon polariton in a topological insulator /AFM bilayer, a giant spin Nernst effect induced by magnon–phonon coupling in 2D AFMs, and control of magnon–photon coupling using spin torque.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Applied Physics Letters","journal_issue":"8","journal_volume":"124","format":"Medium: ED; Size: Article No. 082405","authors":["To, D. -Q. [University of Delaware, Newark, DE (United States)] (ORCID:0000000326461561)","Rai, A. [University of Delaware, Newark, DE (United States)] (ORCID:0000000193617883)","Zide, J. M. O. [University of Delaware, Newark, DE (United States)] (ORCID:0000000263787221)","Law, S. [University of Delaware, Newark, DE (United States); Pennsylvania State University, University Park, PA (United States)] (ORCID:0000000250876663)","Xiao, J. Q. [University of Delaware, Newark, DE (United States)]","Jungfleisch, M. B. [University of Delaware, Newark, DE (United States)] (ORCID:0000000182043677)","Doty, M. F. [University of Delaware, Newark, DE (United States)] (ORCID:0000000179993567)"],"subjects":["36 MATERIALS SCIENCE","Spintronics","Magnetic anisotropy","Magnetic ordering","Magnons","Phonons","Plasmons","Quasiparticle","Topological insulator","Information technology"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0020308","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER). Earth & Environmental Systems Science (EESS)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","USDOE Office of Science (SC), Biological and Environmental Research (BER). Earth & Environmental Systems Science (EESS)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"],"orgs_research":[{"name":"Univ. of Delaware, Newark, DE (United States)"}],"research_orgs":["Univ. of Delaware, Newark, DE (United States)"],"journal_issn":"ISSN 0003-6951","other_identifiers":["Journal ID: ISSN 0003-6951"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310259"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310259"}]}, {"osti_id":"2310391","title":"Structure of native four-repeat satellite III sequence with non-canonical base interactions","doi":"10.1093/nar/gkae113","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nucleic Acids Research","description":"<title>Abstract<\/title>\n <p>Tandem-repetitive DNA (where two or more DNA bases are repeated numerous times) can adopt non-canonical secondary structures. Many of these structures are implicated in important biological processes. Human Satellite III (HSat3) is enriched for tandem repeats of the sequence ATGGA and is located in pericentromeric heterochromatin in many human chromosomes. Here, we investigate the secondary structure of the four-repeat HSat3 sequence 5′-ATGGA ATGGA ATGGA ATGGA-3′ using X-ray crystallography, NMR, and biophysical methods. Circular dichroism spectroscopy, thermal stability, native PAGE, and analytical ultracentrifugation indicate that this sequence folds into a monomolecular hairpin with non-canonical base pairing and B-DNA characteristics at concentrations below 0.9 mM. NMR studies at 0.05–0.5 mM indicate that the hairpin is likely folded-over into a compact structure with high dynamics. Crystallographic studies at 2.5 mM reveal an antiparallel self-complementary duplex with the same base pairing as in the hairpin, extended into an infinite polymer. The non-canonical base pairing includes a G–G intercalation sandwiched by sheared A–G base pairs, leading to a cross-strand four guanine stack, so called guanine zipper. The guanine zippers are spaced throughout the structure by A–T/T–A base pairs. Our findings lend further insight into recurring structural motifs associated with the HSat3 and their potential biological functions.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Oxford University Press","journal_name":"Nucleic Acids Research","format":"Medium: X","authors":["Chen, Erin","Trajkovski, Marko","Lee, Hyun Kyung","Nyovanie, Samantha","Martin, Kailey N.","Dean, William L.","Tahiliani, Mamta","Plavec, Janez (ORCID:0000000315708602)","Yatsunyk, Liliya A. (ORCID:0000000339460939)"],"article_type":"Published Article","doe_contract_number":"AC02-06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0305-1048","other_identifiers":["Journal ID: ISSN 0305-1048; gkae113"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310391"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310391"}]}, {"osti_id":"2263443","title":"Long-term drought promotes invasive species by reducing wildfire severity","doi":"10.1002/ecy.4265","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Ecology","description":"Anthropogenic climate change has increased the frequency of drought, wildfire, and invasions of non-native species. Although high-severity fires linked to drought can inhibit recovery of native vegetation in forested ecosystems, it remains unclear how drought impacts the recovery of other plant communities following wildfire. We leveraged an existing rainfall manipulation experiment to test the hypothesis that reduced precipitation, fuel load, and fire severity convert plant community composition from native shrubs to invasive grasses in a Southern California coastal sage scrub system. We measured community composition before and after the 2020 Silverado wildfire in plots with three rainfall treatments. Drought reduced fuel load and vegetation cover, which reduced fire severity. Native shrubs had greater prefire cover in added water plots compared to reduced water plots. Native cover was lower and invasive cover was higher in postfire reduced water plots compared to postfire added and ambient water plots. Our results demonstrate the importance of fuel load on fire severity and plant community composition on an ecosystem scale. Management should focus on reducing fire frequency and removing invasive species to maintain the resilience of coastal sage scrub communities facing drought. In these communities, controlled burns are not recommended as they promote invasive plants.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Wiley","journal_name":"Ecology","format":"Medium: ED","authors":["Kimball, Sarah [Univ. of California, Irvine, CA (United States). Center for Environmental Biology] (ORCID:0000000337894741)","Rath, Jessica [Univ. of California, Irvine, CA (United States)]","Coffey, Julie E. [Univ. of California, Irvine, CA (United States)]","Perea‐Vega, Moises R. [Univ. of California, Irvine, CA (United States). Center for Environmental Biology]","Walsh, Matthew [Univ. of California, Irvine, CA (United States)]","Fiore, Nicole M. [Univ. of California, Irvine, CA (United States). Center for Environmental Biology]","Ta, Priscilla M. [Univ. of California, Irvine, CA (United States). Center for Environmental Biology]","Schmidt, Katharina T. [Univ. of California, Irvine, CA (United States). Center for Environmental Biology] (ORCID:0000000191309414)","Goulden, Michael L. [Univ. of California, Irvine, CA (United States)]","Allison, Steven D. [Univ. of California, Irvine, CA (United States)] (ORCID:0000000346297842)"],"subjects":["coastal sage scrub","drought legacy","Eriogonum fasciculatum","feedbacks","global climate change","invasive species","Malosma laurina","multiple global change stressors","plant community composition","Salvia mellifera","wildfire frequency"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0020382","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER). Biological Systems Science (BSS)"},{"name":"Natural Communities Coalition"},{"name":"The Nature Conservancy"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER). Biological Systems Science (BSS)","Natural Communities Coalition","The Nature Conservancy"],"orgs_research":[{"name":"Univ. of California, Irvine, CA (United States)"}],"research_orgs":["Univ. of California, Irvine, CA (United States)"],"journal_issn":"ISSN 0012-9658","other_identifiers":["Journal ID: ISSN 0012-9658"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2263443"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2263443"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2263443"}]}, {"osti_id":"2311024","title":"Wireless Passive Ceramic Sensor for Far-Field Temperature Measurement at High Temperatures","doi":"10.3390/s24051407","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Sensors Journal Volume: 24 Journal Issue: 5","description":"<p>A passive wireless high-temperature sensor for far-field applications was developed for stable temperature sensing up to 1000 °C. The goal is to leverage the properties of electroceramic materials, including adequate electrical conductivity, high-temperature resilience, and chemical stability in harsh environments. Initial sensors were fabricated using Ag for operation to 600 °C to achieve a baseline understanding of temperature sensing principles using patch antenna designs. Fabrication then followed with higher temperature sensors made from (In, Sn) O2 (ITO) for evaluation up to 1000 °C. A patch antenna was modeled in ANSYS HFSS to operate in a high-frequency region (2.5–3.5 GHz) within a 50 × 50 mm2 confined geometric area using characteristic material properties. The sensor was fabricated on Al2O3 using screen printing methods and then sintered at 700 °C for Ag and 1200 °C for ITO in an ambient atmosphere. Sensors were evaluated at 600 °C for Ag and 1000 °C for ITO and analyzed at set interrogating distances up to 0.75 m using ultra-wideband slot antennas to collect scattering parameters. The sensitivity (average change in resonant frequency with respect to temperature) from 50 to 1000 °C was between 22 and 62 kHz/°C which decreased as interrogating distances reached 0.75 m.<\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"MDPI AG","journal_name":"Sensors","journal_issue":"5","journal_volume":"24","format":"Medium: X; Size: Article No. 1407","authors":["Tennant, Kevin M.","Jordan, Brian R.","Strader, Noah L.","Varadharajan Idhaiam, Kavin Sivaneri","Jerabek, Mark","Wilhelm, Jay (ORCID:000000022455496X)","Reynolds, Daryl S.","Sabolsky, Edward M."],"article_type":"Published Article","doe_contract_number":"FE0032078","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1424-8220","other_identifiers":["Journal ID: ISSN 1424-8220; SENSC9; PII: s24051407"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311024"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311024"}]}, {"osti_id":"2315653","title":"A Physical Metric for Inertial Confinement Fusion Capsules","report_number":"LA-UR-22-29690","doi":"10.3390/plasma7010010","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Plasma; Journal Volume: 7; Journal Issue: 1","description":"The performance of fusion capsules on the National Ignition Facility (NIF) is strongly affected by the physical properties of the hot deuterium–tritium (DT) fuel, such as the mass, areal density, and pressure of the hot spot at the stagnation time. All of these critical quantities depend on one measured quantity, which is the ratio of the specific peak implosion energy to the specific internal energy of the hot spot. This unique physical quantity not only can measure the incremental progress of the inertial confinement fusion capsules towards ignition but also measures the conversion of the peak implosion kinetic energy of the pusher shell into the internal energy of the hot fuel in a capsule. Analysis of existing NIF shots to date are performed. The ratio metric is compared quantitatively with the ignition criterion. Results provide new perspectives on the NIF experiments by which the performance of the burning plasma can be determined and controlled through the fine tune of the implosion parameters, which improves future designs and predictions of the ignition capsules.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"MDPI","journal_name":"Plasma","journal_issue":"1","journal_volume":"7","format":"Medium: ED; Size: p. 146-159","authors":["Cheng, Baolian [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000308036967)","Bradley, Paul Andrew [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000162296677)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","Inertial confinement fusion","thermonuclear ignition"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 2571-6182","other_identifiers":["Journal ID: ISSN 2571-6182"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315653"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2315653"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315653"}]}, {"osti_id":"2204653","title":"Resolved photons in S<small>HERPA<\/small>","report_number":"FERMILAB-PUB-23-623-T; IPPP/23/59; arXiv:2310.18674","doi":"10.1140/epjc/s10052-024-12551-w","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: European Physical Journal. C, Particles and Fields (Online); Journal Volume: 84; Journal Issue: 2","description":"We present the first complete simulation framework, in the SHERPA event generator, for resolved photon interactions at next-to leading order accuracy. It includes photon spectra obtained through the equivalent-photon approximation, parton distribution functions to parametrize the hadronic structure of quasi-real photons, the matching of the parton shower to next-to leading order QCD calculations for resolved photon cross sections, and the modelling of multiple-parton interactions. We validate our framework against a wide range of photo-production data from LEP and HERPA experiments, observing good overall agreement. We identify important future steps relevant for high-quality simulations at the planned Electron–Ion Collider.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Springer Nature","journal_name":"European Physical Journal. C, Particles and Fields (Online)","journal_issue":"2","journal_volume":"84","format":"Medium: ED; Size: Article No. 178","authors":["Höche, Stefan [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)]","Krauss, Frank [Durham Univ. (United Kingdom)]","Meinzinger, Peter [Durham Univ. (United Kingdom)] (ORCID:0000000328228325)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 1434-6052","other_identifiers":["Journal ID: ISSN 1434-6052; oai:inspirehep.net:2715355"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2204653"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2204653"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2204653"}]}, {"osti_id":"2318484","title":"Inkjet-printed SnO<sub>x<\/sub> as an effective electron transport layer for planar perovskite solar cells and the effect of Cu doping","doi":"10.1098/rsos.231331","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Royal Society Open Science; Journal Volume: 11; Journal Issue: 2","description":"Inkjet printing is a more sustainable and scalable fabrication method than spin coating for producing perovskite solar cells (PSCs). Although spin-coated SnO<sub>2<\/sub> has been intensively studied as an effective electron transport layer (ETL) for PSCs, inkjet-printed SnO<sub>2<\/sub> ETLs have not been widely reported. Here, we fabricated inkjet-printed, solution-processed SnO<sub>x<\/sub> ETLs for planar PSCs. A champion efficiency of 17.55% was achieved for the cell using a low-temperature processed SnO<sub>x<\/sub> ETL. The low-temperature SnO<sub>x<\/sub> exhibited an amorphous structure and outperformed high-temperature crystalline SnO<sub>2<\/sub>. The improved performance was attributed to enhanced charge extraction and transport and suppressed charge recombination at ETL/perovskite interfaces, which originated from enhanced electrical and optical properties of SnO<sub>x<\/sub>, improved perovskite film quality, and well-matched energy level alignment between the SnO<sub>x<\/sub> ETL and the perovskite layer. Furthermore, SnO<sub>x<\/sub> was doped with Cu. Cu doping increased surface oxygen defects and upshifted energy levels of SnO<sub>x<\/sub>, leading to reduced device performance. A tunable hysteresis was observed for PSCs with Cu-doped SnO<sub>x<\/sub> ETLs, decreasing at first and turning into inverted hysteresis afterwards with increasing Cu doping level. This tunable hysteresis was related to the interplay between charge/ion accumulation and recombination at ETL/perovskite interfaces in the case of electron extraction barriers.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"The Royal Society Publishing","journal_name":"Royal Society Open Science","journal_issue":"2","journal_volume":"11","format":"Medium: ED; Size: Article No. 231331","authors":["Lu, Dongli [KTH Royal Inst. of Technology, Stockholm (Sweden)] (ORCID:0000000282026233)","Yang, Feipeng [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)] (ORCID:0000000254703241)","Dun, Chaochao [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]","Guo, Jinghua [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]","Urban, Jeffrey J. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]","Belova, Liubov [KTH Royal Inst. of Technology, Stockholm (Sweden)]"],"subjects":["14 SOLAR ENERGY","inkjet printing","SnOx","Cu doping","perovskite solar cells","hysteresis","low-temperature solution process"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 2054-5703","other_identifiers":["Journal ID: ISSN 2054-5703; ark:/13030/qt55q9j0pr"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318484"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2318484"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318484"}]}, {"osti_id":"2310416","title":"Implementing a Doping Approach for Poly(methyl methacrylate) Recycling in a Circular Economy","doi":"10.1021/jacs.3c13223","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society Journal Volume: 146 Journal Issue: 9","description":"To mitigate pollution by plastic waste, it is paramount to develop polymers with efficient recyclability while retaining desirable physical properties. A recyclable poly(methyl methacrylate) (PMMA) is synthesized by incorporating a minimal amount of an α-methylstyrene (AMS) analogue into the polymer structure. This P(MMA-co-AMS) copolymer preserves the essential mechanical strength and optical clarity of PMMA, vital for its wide-ranging applications in various commercial and high-tech industries. Doping with AMS significantly enhances the thermal, catalyst-free depolymerization efficiency of PMMA, facilitating the recovery of methyl methacrylate (MMA) with high yield and purity at temperatures ranging from 150 to 210 °C, nearly 250 K lower than current industrial standards. Furthermore, the low recovery temperature permits the isolation of pure MMA from a mixture of assorted common plastics.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of the American Chemical Society","journal_issue":"9","journal_volume":"146","format":"Medium: X; Size: p. 5786-5792","authors":["Chin, Mason T. [Department of Chemistry, New York University, 100 Washington Square East, New York, New York 10003, United States]","Yang, Tiangang [Department of Chemistry, University of Connecticut, Storrs, Connecticut 06269, United States]","Quirion, Kevin P. [Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States]","Lian, Christina [Department of Chemistry, New York University, 100 Washington Square East, New York, New York 10003, United States]","Liu, Peng [Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States] (ORCID:000000028188632X)","He, Jie [Department of Chemistry, University of Connecticut, Storrs, Connecticut 06269, United States] (ORCID:0000000302523094)","Diao, Tianning [Department of Chemistry, New York University, 100 Washington Square East, New York, New York 10003, United States] (ORCID:0000000339168372)"],"subjects":["Copolymers","Depolymerization","Optical properties","Organic compounds","Polymers"],"article_type":"Published Article","doe_contract_number":"SC0022300","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"New York Univ. (NYU), NY (United States)"}],"research_orgs":["New York Univ. (NYU), NY (United States)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310416"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310416"}]}, {"osti_id":"2309818","title":"How microscopic epistasis and clonal interference shape the fitness trajectory in a spin glass model of microbial long-term evolution","doi":"10.7554/eLife.87895.3","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: eLife Journal Volume: 12","description":"<p>\n The adaptive dynamics of evolving microbial populations takes place on a complex fitness landscape generated by epistatic interactions. The population generically consists of multiple competing strains, a phenomenon known as clonal interference. Microscopic epistasis and clonal interference are central aspects of evolution in microbes, but their combined effects on the functional form of the population’s mean fitness are poorly understood. Here, we develop a computational method that resolves the full microscopic complexity of a simulated evolving population subject to a standard serial dilution protocol. Through extensive numerical experimentation, we find that stronger microscopic epistasis gives rise to fitness trajectories with slower growth independent of the number of competing strains, which we quantify with power-law fits and understand mechanistically via a random walk model that neglects dynamical correlations between genes. We show that increasing the level of clonal interference leads to fitness trajectories with faster growth (in functional form) without microscopic epistasis, but leaves the rate of growth invariant when epistasis is sufficiently strong, indicating that the role of clonal interference depends intimately on the underlying fitness landscape. The simulation package for this work may be found at\n <ext-link ext-link-type=\'uri\' href=\'https://github.com/nmboffi/spin_glass_evodyn\'>https://github.com/nmboffi/spin_glass_evodyn<\/ext-link>\n .\n <\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"eLife Sciences Publications, Ltd.","journal_name":"eLife","journal_volume":"12","format":"Medium: X","authors":["Boffi, Nicholas M. (ORCID:0000000313367568)","Guo, Yipei","Rycroft, Chris H.","Amir, Ariel (ORCID:0000000326110139)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-084X","other_identifiers":["Journal ID: ISSN 2050-084X; RP87895"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309818"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309818"}]}, {"osti_id":"2309798","title":"How microscopic epistasis and clonal interference shape the fitness trajectory in a spin glass model of microbial long-term evolution","doi":"10.7554/eLife.87895","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: eLife Journal Volume: 12","description":"<p>\n The adaptive dynamics of evolving microbial populations takes place on a complex fitness landscape generated by epistatic interactions. The population generically consists of multiple competing strains, a phenomenon known as clonal interference. Microscopic epistasis and clonal interference are central aspects of evolution in microbes, but their combined effects on the functional form of the population’s mean fitness are poorly understood. Here, we develop a computational method that resolves the full microscopic complexity of a simulated evolving population subject to a standard serial dilution protocol. Through extensive numerical experimentation, we find that stronger microscopic epistasis gives rise to fitness trajectories with slower growth independent of the number of competing strains, which we quantify with power-law fits and understand mechanistically via a random walk model that neglects dynamical correlations between genes. We show that increasing the level of clonal interference leads to fitness trajectories with faster growth (in functional form) without microscopic epistasis, but leaves the rate of growth invariant when epistasis is sufficiently strong, indicating that the role of clonal interference depends intimately on the underlying fitness landscape. The simulation package for this work may be found at\n <ext-link ext-link-type=\'uri\' href=\'https://github.com/nmboffi/spin_glass_evodyn\'>https://github.com/nmboffi/spin_glass_evodyn<\/ext-link>\n .\n <\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"eLife Sciences Publications, Ltd.","journal_name":"eLife","journal_volume":"12","format":"Medium: X","authors":["Boffi, Nicholas M. (ORCID:0000000313367568)","Guo, Yipei","Rycroft, Chris H.","Amir, Ariel (ORCID:0000000326110139)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-084X","other_identifiers":["Journal ID: ISSN 2050-084X; RP87895"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309798"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309798"}]}, {"osti_id":"2310435","title":"Chiral and flat-band magnetic quasiparticles in ferromagnetic and metallic kagome layers","report_number":"IS-J-11,273","doi":"10.1038/s41467-024-45841-8","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Magnetic kagome metals are a promising platform to develop unique quantum transport and optical phenomena caused by the interplay between topological electronic bands, strong correlations, and magnetic order. This interplay may result in exotic quasiparticles that describe the coupled electronic and spin excitations on the frustrated kagome lattice. Here, we observe novel elementary magnetic excitations within the ferromagnetic Mn kagome layers in TbMn\n <sub>6<\/sub>\n Sn\n <sub>6<\/sub>\n using inelastic neutron scattering. We observe sharp, collective acoustic magnons and identify flat-band magnons that are localized to a hexagonal plaquette due to the special geometry of the kagome layer. Surprisingly, we observe another type of elementary magnetic excitation; a chiral magnetic quasiparticle that is also localized on a hexagonal plaquette. The short lifetime of localized flat-band and chiral quasiparticles suggest that they are hybrid excitations that decay into electronic states.\n <\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Riberolles, S. X. M. (ORCID:0000000315977458)","Slade, Tyler J.","Han, Tianxiong (ORCID:0000000214185881)","Li, Bing (ORCID:0000000230635344)","Abernathy, D. L. (ORCID:000000023533003X)","Canfield, P. C.","Ueland, B. G. (ORCID:0000000197846595)","Orth, P. P.","Ke, Liqin (ORCID:0000000151309006)","McQueeney, R. J."],"subjects":["36 MATERIALS SCIENCE"],"article_type":"Published Article","doe_contract_number":"AC02-07CH11358","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1592; PII: 45841"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310435"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310435"}]}, {"osti_id":"2309790","title":"Diffractive optical computing in free space","doi":"10.1038/s41467-024-45982-w","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Structured optical materials create new computing paradigms using photons, with transformative impact on various fields, including machine learning, computer vision, imaging, telecommunications, and sensing. This Perspective sheds light on the potential of free-space optical systems based on engineered surfaces for advancing optical computing. Manipulating light in unprecedented ways, emerging structured surfaces enable all-optical implementation of various mathematical functions and machine learning tasks. Diffractive networks, in particular, bring deep-learning principles into the design and operation of free-space optical systems to create new functionalities. Metasurfaces consisting of deeply subwavelength units are achieving exotic optical responses that provide independent control over different properties of light and can bring major advances in computational throughput and data-transfer bandwidth of free-space optical processors. Unlike integrated photonics-based optoelectronic systems that demand preprocessed inputs, free-space optical processors have direct access to all the optical degrees of freedom that carry information about an input scene/object without needing digital recovery or preprocessing of information. To realize the full potential of free-space optical computing architectures, diffractive surfaces and metasurfaces need to advance symbiotically and co-evolve in their designs, 3D fabrication/integration, cascadability, and computing accuracy to serve the needs of next-generation machine vision, computational imaging, mathematical computing, and telecommunication technologies.<\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Hu, Jingtian","Mengu, Deniz","Tzarouchis, Dimitrios C.","Edwards, Brian (ORCID:000000019354125X)","Engheta, Nader","Ozcan, Aydogan (ORCID:000000020717683X)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1525; PII: 45982"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309790"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309790"}]}, {"osti_id":"2323423","title":"Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units","report_number":"PNNL-SA-193670","doi":"10.1021/acs.jcim.3c01312","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Chemical Information and Modeling; Journal Volume: 64; Journal Issue: 5","description":"Atomic structure prediction and associated property calculations are the bedrock of chemical physics. Since high-fidelity ab initio modeling techniques for computing the structure and properties can be prohibitively expensive, this motivates the development of machine-learning (ML) models that make these predictions more efficiently. Training graph neural networks over large atomistic databases introduces unique computational challenges such as the need to process millions of small graphs with variable size and support communication patterns that are distinct from learning over large graphs such as social networks. We demonstrate a novel hardware-software co-design approach to scale up the training of atomistic graph neural networks (GNN) for structure and property prediction. First, to eliminate redundant computation and memory associated with alternative padding techniques and to improve throughput via minimizing communication, we formulate the effective coalescing of the batches of variable-size atomistic graphs as the bin packing problem and introduce a hardware-agnostic algorithm to pack these batches. In addition, we propose hardware-specific optimizations including a planner and vectorization for the gather-scatter operations targeted for Graphcore’s Intelligence Processing Unit (IPU), as well as model-specific optimizations such as merged communication collectives and optimized softplus. Putting these all together, we demonstrate the effectiveness of the proposed co-design approach by providing an implementation of a well-established atomistic GNN on the Graphcore IPUs. We evaluate the training performance on multiple atomistic graph databases with varying degrees of graph counts, sizes and sparsity. Here, we demonstrate that such a co-design approach can reduce the training time of atomistic GNNs and can improve the performance by up to 1.5× compared to the baseline implementation of the model on the IPUs. Additionally, we compare our IPU implementation with a Nvidia GPU-based implementation and show that our atomistic GNN implementation on the IPUs can run 1.8× faster on average compared to the execution time on the GPUs.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Chemical Information and Modeling","journal_issue":"5","journal_volume":"64","format":"Medium: ED; Size: p. 1568-1580","authors":["Helal, Hatem [Graphcore, Cambridge (United Kingdom)]","Firoz, Jesun [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Bilbrey, Jenna A. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Sprueill, Henry [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Herman, Kristina M. [Univ. of Washington, Seattle, WA (United States)] (ORCID:0000000349235727)","Krell, Mario Michael [Graphcore, Cambridge (United Kingdom)]","Murray, Tom [Graphcore, Cambridge (United Kingdom)]","Roldan, Manuel Lopez [Graphcore, Cambridge (United Kingdom)]","Kraus, Mike [Graphcore, Cambridge (United Kingdom)]","Li, Ang [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Das, Payel [IBM Research, Yorktown Heights, NY (United States)] (ORCID:0000000272880516)","Xantheas, Sotiris S. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Univ. of Washington, Seattle, WA (United States)] (ORCID:0000000263031037)","Choudhury, Sutanay [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]"],"subjects":["graph neural networks","computational chemistry","hardware accelerators","high-performance computing","active learning","artificial intelligence","neural networks","circuits","cluster chemistry","mathematical methods","optimization","potential energy"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; FWP 70942","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)","USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 1549-9596","other_identifiers":["Journal ID: ISSN 1549-9596"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323423"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323423"}]}, {"osti_id":"2309773","title":"Hydrodynamic Simulations of Oxygen–Neon Classical Novae as Galactic\n <sup>7<\/sup>\n Li Producers and Potential Accretion-induced Collapse Progenitors*","doi":"10.3847/1538-4357/ad1836","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 962 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n We report on studies of classical nova (CN) explosions where we follow the evolution of thermonuclear runaways (TNRs) on oxygen–neon (ONe) white dwarfs (WDs). Using NOVA, a 1D hydrodynamic computer code, we accrete solar matter until the TNR is ongoing and then switch to a mixed composition. This approach is guided by the results of multidimensional studies of TNRs in WDs, which find that sufficient mixing with WD core material occurs after the TNR is well underway, and levels of enrichment of the CNONeMg elements are reached that agree with observations of CN ejecta abundances. Because the amount of accreted material is inversely proportional to the oxygen abundance, by first accreting solar matter, the amount of accreted material is larger than in those simulations with an initially enriched composition. We vary the mass of the WD (from 0.6\n <italic>M<\/italic>\n <sub>⊙<\/sub>\n to 1.35\n <italic>M<\/italic>\n <sub>⊙<\/sub>\n ) and the composition of the mixed materials. Our results show large enrichments of\n <sup>7<\/sup>\n Be in the ejected gases, implying that ONe CNe and CO CNe may be responsible for a significant fraction (∼100\n <italic>M<\/italic>\n <sub>⊙<\/sub>\n ) of the Galactic\n <sup>7<\/sup>\n Li (∼1000\n <italic>M<\/italic>\n <sub>⊙<\/sub>\n ). The production of\n <sup>22<\/sup>\n Na and\n <sup>26<\/sup>\n Al in CN explosions and the\n <italic>γ<\/italic>\n -ray emission predicted by our simulations are discussed. The WDs in all our simulations eject less material than they accrete and we predict that the WD is growing in mass as a consequence of the CN outburst. ONe CNe, therefore, may be an important channel for accretion-induced collapse events.\n <\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"2","journal_volume":"962","format":"Medium: X; Size: Article No. 191","authors":["Starrfield, Sumner (ORCID:0000000213596312)","Bose, Maitrayee (ORCID:0000000279786370)","Iliadis, Christian (ORCID:0000000323810412)","Hix, W. Raphael (ORCID:0000000294819126)","Woodward, Charles E. (ORCID:000000016567627X)","Wagner, R. Mark (ORCID:0000000318922751)"],"article_type":"Published Article","doe_contract_number":"FG02- 97ER41041.","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309773"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309773"}]}, {"osti_id":"2311013","title":"Ionic Diffusion in Slurry Electrolytes for Redox Flow Batteries","doi":"10.1149/1945-7111/ad29c7","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society Journal Volume: 171 Journal Issue: 2","description":"<p>\n Slurry electrodes have been proposed as a method to decouple the storage and power capacities of hybrid redox flow batteries by allowing the reduced metal to adhere to a flowing dispersion of electrically conductive particles rather than accumulate in the flow cell. In this work, the ionic mass transport through these slurry electrolytes is investigated via voltammetry at a rotating disc electrode and in a parallel channel flow cell. A modified Levich equation,\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <msub>\n <mrow>\n <mi>i<\/mi>\n <\/mrow>\n <mrow>\n <mi>l<\/mi>\n <\/mrow>\n <\/msub>\n <mo>=<\/mo>\n <mn>0.6<\/mn>\n <mn>2<\/mn>\n <mi mathvariant=\'italic\'>nFC<\/mi>\n <msup>\n <mrow>\n <mi>ω<\/mi>\n <\/mrow>\n <mrow>\n <mn>1<\/mn>\n <mo>/<\/mo>\n <mn>2<\/mn>\n <\/mrow>\n <\/msup>\n <msup>\n <mrow>\n <mi mathvariant=\'normal\'>ν<\/mi>\n <\/mrow>\n <mrow>\n <mo>−<\/mo>\n <mn>1<\/mn>\n <mo>/<\/mo>\n <mn>6<\/mn>\n <\/mrow>\n <\/msup>\n <msup>\n <mrow>\n <mo stretchy=\'false\'>(<\/mo>\n <mi>D<\/mi>\n <mo>+<\/mo>\n <msup>\n <mrow>\n <mi>r<\/mi>\n <\/mrow>\n <mrow>\n <mn>2<\/mn>\n <\/mrow>\n <\/msup>\n <mi mathvariant=\'normal\'>Φ<\/mi>\n <msup>\n <mrow>\n <mi>ω<\/mi>\n <\/mrow>\n <mrow>\n <mi>m<\/mi>\n <\/mrow>\n <\/msup>\n <mo stretchy=\'false\'>)<\/mo>\n <\/mrow>\n <mrow>\n <mn>2<\/mn>\n <mo>/<\/mo>\n <mn>3<\/mn>\n <\/mrow>\n <\/msup>\n <mo>,<\/mo>\n <\/math>\n <inline-graphic href=\'jesad29c7ieqn1.gif\' type=\'simple\'/>\n <\/inline-formula>\n is developed to describe limiting currents to a rotating disc electrode when using a particle filled electrolyte. Mass transfer is demonstrated to be enhanced by greater particle loading so long as there are sufficient particles such that their respective flow velocity boundary layers interact. In the flow cell, faradaic current in a carbon black slurry electrolyte was observed to decrease over time. This suggests that the carbon particles adhere and accumulate on the stationary electrode, impeding mass transport by imposing diffusion path tortuosity. This accumulation is undesirable in hybrid redox flow batteries as it encourages metal deposition in the cell, limiting the scalability of the technology.\n <\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"Journal of the Electrochemical Society","journal_issue":"2","journal_volume":"171","format":"Medium: X; Size: Article No. 020545","authors":["Tam, Vincent (ORCID:0000000248283498)","Wainright, Jesse"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311013"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311013"}]}, {"osti_id":"2309696","title":"Turbulence modelling in neutron star merger simulations","doi":"10.1007/s41115-023-00019-9","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Living Reviews in Computational Astrophysics (Online); Journal Volume: 10; Journal Issue: 1","description":"Observations of neutron star mergers have the potential to unveil detailed physics of matter and gravity in regimes inaccessible by other experiments. Quantitative comparisons to theory and parameter estimation require nonlinear numerical simulations. However, the detailed physics of energy and momentum transfer between different scales, and the formation and interaction of small scale structures, which can be probed by detectors, are not captured by current simulations. This is where turbulence enters neutron star modelling. This review will outline the theory and current status of turbulence modelling for relativistic neutron star merger simulations.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Springer","journal_name":"Living Reviews in Computational Astrophysics (Online)","journal_issue":"1","journal_volume":"10","format":"Medium: ED; Size: Article No. 1","authors":["Radice, David [Pennsylvania State Univ., University Park, PA (United States)] (ORCID:0000000169821008)","Hawke, Ian [Univ. of Southampton (United Kingdom)] (ORCID:0000000348050309)"],"subjects":["79 ASTRONOMY AND ASTROPHYSICS","turbulence modeling","neutron stars","binary stars","large eddy simulations"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0021177","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[{"name":"Pennsylvania State Univ., University Park, PA (United States)"}],"research_orgs":["Pennsylvania State Univ., University Park, PA (United States)"],"journal_issn":"ISSN 2365-0524","other_identifiers":["Journal ID: ISSN 2365-0524"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309696"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2309696"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309696"}]}, {"osti_id":"2311924","title":"The Data Mine model for accessible partnerships in data science","doi":"10.1002/wics.1642","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Wiley Interdisciplinary Reviews (WIREs) Computational Statistics Journal Volume: 16 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>The Data Mine at Purdue University is a pioneering experiential learning community for undergraduate and graduate students of any background to learn data science. The first data‐intensive experience embedded in a large learning community, The Data Mine had nearly 1300 students in academic year (AY) 2022–2023 and nearly 1700 students for AY 2023–2024. The Data Mine embodies data‐infused education, research, and collaboration. Students learn Python, R, SQL, and shell‐scripting, while working on weekly projects within a high‐performance computing (HPC) cluster. In the Corporate Partners cohort, students work on teams of 5–15 students, led by a paid student team leader. Each cohort follows an Agile approach, working on data‐intensive projects provided by industry partners and mentored by company employees. Students develop professional and data skills throughout the academic year, from August through April. Many students return in subsequent years to the program, increasing their tenure with a Corporate Partner. Student teams are inherently interdisciplinary; students from 133 different majors are involved in the program, ranging from new incoming students through PhD level students. These interdisciplinary teams of students bring new perspectives to challenging problems in which data science is a key part of the solution. The interdisciplinary teams foster an environment of synthesis with ideas and solutions. Students come together with different life experiences, different levels of technical skill, but also varying ways they navigate paths to solutions because of the variety of majors represented, resulting in a more creative and robust solution than a traditional data science program.<\/p>\n <p>\n This article is categorized under:\n <list list-type=\'simple\'>\n <list-item>\n <p>Applications of Computational Statistics > Education in Computational Statistics<\/p>\n <\/list-item>\n <\/list>\n <\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Wiley Interdisciplinary Reviews (WIREs) Computational Statistics","journal_issue":"1","journal_volume":"16","format":"Medium: X","authors":["Betz, Margaret A. [The Data Mine Purdue University West Lafayette Indiana USA] (ORCID:0009000501032359)","Sharples, Rebecca L. [West Lafayette Indiana USA] (ORCID:0000000328832231)","Ward, Mark Daniel [The Data Mine Purdue University West Lafayette Indiana USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1939-5108","other_identifiers":["Journal ID: ISSN 1939-5108; e1642"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311924"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311924"}]}, {"osti_id":"2315757","title":"Assessing Nonlinear Polarization in Electrochemical Cells using AC Impedance Spectroscopy","doi":"10.1149/1945-7111/ad2e7c","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society","description":"<title>Abstract<\/title>\n <p>AC impedance spectroscopy is widely used to evaluate performance limitations in energy storage and conversion systems (e.g., batteries, supercapacitors, and fuel cells). This work shows that integrating the resistive elements in an equivalent circuit as a function of steady-state current enables one to recover individual overpotentials associated with different processes (e.g., ion migration, charge transfer reactions, and diffusion) in nonlinear electrochemical power supplies. Closed form expressions for diffusion overpotentials are derived using this method for transmissive and reflective boundary conditions and three electrode symmetries (planar, cylindrical, and spherical). Discussion is also extended to macroscopically homogenous porous electrodes which are relevant for most real-world devices. Overall, the approach described herein is an extraordinarily powerful tool to identify rate-limiting steps and guide material/component design.<\/p>","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"Journal of the Electrochemical Society","format":"Medium: X","authors":["Self, Ethan C. (ORCID:0000000160066317)","Delnick, Frank M.","Sacci, Robert L.","Nanda, Jagjit"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315757"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315757"}]}, {"osti_id":"2309769","title":"Programmable nanowrinkle-induced room-temperature exciton localization in monolayer WSe2","doi":"10.1038/s41467-024-45936-2","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Localized states in two-dimensional (2D) transition metal dichalcogenides (TMDCs) have been the subject of intense study, driven by potential applications in quantum information science. Despite the rapidly growing knowledge surrounding these emitters, their microscopic nature is still not fully understood, limiting their production and application. Motivated by this challenge, and by recent theoretical and experimental evidence showing that nanowrinkles generate strain-localized room-temperature emitters, we demonstrate a method to intentionally induce wrinkles with collections of stressors, showing that long-range wrinkle direction and position are controllable with patterned array design. Nano-photoluminescence (nano-PL) imaging combined with detailed strain modeling based on measured wrinkle topography establishes a correlation between wrinkle properties, particularly shear strain, and localized exciton emission. Beyond the array-induced wrinkles, nano-PL spatial maps further reveal that the strain environment around individual stressors is heterogeneous due to the presence of fine wrinkles that are less deterministic. At cryogenic temperatures, antibunched emission is observed, confirming that the nanocone-induced strain is sufficiently large for the formation of quantum emitters. At 300 K, detailed nanoscale hyperspectral images uncover a wide range of low-energy emission peaks originating from the fine wrinkles, and show that the states can be tightly confined to regions <10 nm, even in ambient conditions. These results establish a promising potential route towards realizing room temperature quantum emission in 2D TMDC systems.<\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Yanev, Emanuil S. (ORCID:0000000216174190)","Darlington, Thomas P. (ORCID:0000000234983936)","Ladyzhets, Sophia A. (ORCID:0000000275589564)","Strasbourg, Matthew C. (ORCID:0009000780621075)","Trovatello, Chiara","Liu, Song","Rhodes, Daniel A. (ORCID:0000000276513211)","Hall, Kobi (ORCID:0009000384332634)","Sinha, Aditya","Borys, Nicholas J. (ORCID:0000000154341191)","Hone, James C. (ORCID:0000000280843301)","Schuck, P. James (ORCID:0000000192442671)"],"article_type":"Published Article","doe_contract_number":"SC0019443","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1543; PII: 45936"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309769"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309769"}]}, {"osti_id":"2283084","title":"Conductivity of cold sintered diphasic composites containing a ceramic active material and a solid-state electrolyte or carbon for all solid-state batteries","doi":"10.1039/D3TA07067K","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 8","description":"<p>Low temperature sintering enables dense composites of ceramic active materials and conductive agents. Conductivity and microstructure of composites is characterized.<\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"8","journal_volume":"12","format":"Medium: X; Size: p. 4492-4512","authors":["Grady, Zane M. [Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA, USA, 16802, Materials Research Institute, The Pennsylvania State University, University Park, PA, USA, 16802] (ORCID:0000000176108905)","Fan, Zhongming [Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA, USA, 16802, Materials Research Institute, The Pennsylvania State University, University Park, PA, USA, 16802] (ORCID:0000000162511787)","Fanghanel, Julian [Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA, USA, 16802, Materials Research Institute, The Pennsylvania State University, University Park, PA, USA, 16802]","Randall, Clive A. [Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA, USA, 16802, Materials Research Institute, The Pennsylvania State University, University Park, PA, USA, 16802]"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283084"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283084"}]}, {"osti_id":"2310377","title":"Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates","doi":"10.1103/physrevmaterials.8.024802","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Materials; Journal Volume: 8; Journal Issue: 2","description":"Infinite-layer nickelates R<sub>1-x<\/sub>Sr<sub>x<\/sub>NiO<sub>2<\/sub> (R = La, Pr, Nd) are a class of superconductors with structural similarities to cuprates. Although long-range antiferromagnetic order has not been observed for these materials, magnetic effects such as antiferromagnetic spin fluctuations and spin-glass behavior have been reported. Different experiments have drawn different conclusions about whether the pairing symmetry is s or d wave. In this paper, we applied a scanning superconducting quantum interference device (SQUID) to probe the magnetic behavior of film samples of three infinite-layer nickelates (La<sub>0.85<\/sub>Sr<sub>0.15<\/sub>NiO<sub>2<\/sub>, Pr<sub>0.8<\/sub>Sr<sub>0.2<\/sub>NiO<sub>2<\/sub>, and Nd<sub>0.775<\/sub>Sr<sub>0.225<\/sub>NiO<sub>2<\/sub>) grown on SrTiO<sub>3<\/sub> (STO), each with a nominal thickness of 20 unit cells. In all three films, we observed a ferromagnetic background. We also measured the magnetic susceptibility above the superconducting critical temperature in \r\nPr<sub>0.8<\/sub>Sr<sub>0.2<\/sub>NiO<sub>2<\/sub> and La<sub>0.85<\/sub>Sr<sub>0.15<\/sub>NiO<sub>2<\/sub> and identified a non-Curie-Weiss dynamic susceptibility. Both magnetic features are likely due to NiO<sub>x<\/sub> nanoparticles. We investigated superconductivity in Pr<sub>0.8<\/sub>Sr<sub>0.2<\/sub>NiO<sub>2<\/sub> and Nd<sub>0.775<\/sub>Sr<sub>0.225<\/sub>NiO<sub>2<\/sub>, which exhibited inhomogeneous diamagnetic screening. The superfluid density inferred from the diamagnetic susceptibility in relatively homogeneous regions shows \r\nT-linear behavior in both samples. Finally, we observed superconducting vortices in Nd<sub>0.775<\/sub>Sr<sub>0.225<\/sub>NiO<sub>2<\/sub>. We determined a Pearl length of 330 µm for Nd<sub>0.775<\/sub>Sr<sub>0.225<\/sub>NiO<sub>2<\/sub> at 300 mK, both from the strength of the diamagnetism and from the size and shape of the vortices. These results highlight the importance of considering \r\nNiO<sub>x<\/sub> particles when interpreting experimental results for these films.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review Materials","journal_issue":"2","journal_volume":"8","format":"Medium: ED; Size: Article No. 024802","authors":["Shi, Ruby Aoshuang [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); Stanford University, CA (United States)] (ORCID:0009000351781177)","Wang, Bai Yang [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); Stanford University, CA (United States)] (ORCID:0000000151999692)","Iguchi, Yusuke [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); Stanford University, CA (United States)] (ORCID:0000000196954586)","Osada, Motoki [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); Stanford University, CA (United States)] (ORCID:0000000279478730)","Lee, Kyuho [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); Stanford University, CA (United States)]","Goodge, Berit [Cornell University, Ithaca, NY (United States); Cornell University, Ithaca, NY (United States). Kavli Institute at Cornell for Nanoscale Science] (ORCID:0000000309487698)","Kourkoutis, Lena F. [Cornell University, Ithaca, NY (United States); Cornell University, Ithaca, NY (United States). Kavli Institute at Cornell for Nanoscale Science]","Hwang, Harold Y. [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); Stanford University, CA (United States)]","Moler, Kathryn Ann [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); Stanford University, CA (United States)] (ORCID:0000000202338123)"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY","ferromagnetism","flux pinning","impurities in superconductors","magnetic susceptibility","Meissner effect","penetration depth","superconducting gap","superconductivity","superfluid density","vortices in superconductors"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-76SF00515; GBMF9072; FA 9550-16-1-0305; MRI-1429155; DMR-2039380","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"Gordon and Betty Moore Foundation"},{"name":"US Air Force Office of Scientific Research (AFOSR)"},{"name":"Packard Foundation"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","Gordon and Betty Moore Foundation","US Air Force Office of Scientific Research (AFOSR)","Packard Foundation","National Science Foundation (NSF)"],"orgs_research":[{"name":"Stanford Univ., CA (United States)"},{"name":"SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)"}],"research_orgs":["Stanford Univ., CA (United States)","SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)"],"journal_issn":"ISSN 2475-9953","other_identifiers":["Journal ID: ISSN 2475-9953"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310377"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310377"}]}, {"osti_id":"2310994","title":"Friction stir welding of thick 7175 aluminium alloy plates for deepwater riser applications","doi":"10.1080/13621718.2023.2219908","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Science and Technology of Welding and Joining Journal Volume: 28 Journal Issue: 8","description":"<p>To substantially reduce the cost of extracting petroleum from ultra-deepwater sources, manufacturing risers from 7175 aluminium (Al) alloys rather than steels is being considered. Friction stir welding (FSW), a solid-phase joining technique, is widely applied to 7XXX Al alloys because its mechanical properties are retained within the nugget zone. And, the primary technical objective of the current study is the development of high-strength, corrosion-resistant weldments that connect 7175 Al riser flanges and pipes. However, as the welding thickness increases, the welding speed can be greatly impeded, which lowers the manufacturing efficiency and weakens the mechanical properties in the heat affected zone (next to the nugget). Therefore, obtaining high-performance thick plate 7175 Al alloy joints via FSW is challenging. To overcome this dilemma, the current work optimises the tool design and welding parameters for achieving high-performance joints between 25.4 mm thick 7175 Al alloy plates in butt joint configuration.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"SAGE Publications","journal_name":"Science and Technology of Welding and Joining","journal_issue":"8","journal_volume":"28","format":"Medium: X; Size: p. 747-756","authors":["Wang, Tianhao [Pacific Northwest National Laboratory, Richland, Washington, USA] (ORCID:0000000271512658)","Reza-E-Rabby, Md [Pacific Northwest National Laboratory, Richland, Washington, USA] (ORCID:0000000175090395)","Das, Hrishikesh [Pacific Northwest National Laboratory, Richland, Washington, USA] (ORCID:0000000240975748)","Grant, Glenn J. [Pacific Northwest National Laboratory, Richland, Washington, USA] (ORCID:0000000304912923)","Whalen, Scott [Pacific Northwest National Laboratory, Richland, Washington, USA] (ORCID:0000000336977879)"],"article_type":"Published Article","doe_contract_number":"Field Work Proposal No. 71971; AC05-76RL01830","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1362-1718","other_identifiers":["Journal ID: ISSN 1362-1718"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310994"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310994"}]}, {"osti_id":"2317693","title":"High-resolution source imaging and moment tensor estimation of acoustic emissions during brittle creep of basalt undergoing carbonation","doi":"10.1093/gji/ggae058","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Geophysical Journal International Journal Volume: 237 Journal Issue: 1","description":"<title>SUMMARY<\/title>\n <p>As the high-frequency analogue to field-scale earthquakes, acoustic emissions (AEs) provide a valuable complement to study rock deformation mechanisms. During the load-stepping creep experiments with CO2-saturated water injection into a basaltic sample from Carbfix site in Iceland, 8791 AE events are detected by at least one of the seven piezoelectric sensors. Here, we apply a cross-correlation-based source imaging method, called geometric-mean reverse-time migration (GmRTM) to locate those AE events. Besides the attractive picking-free feature shared with other waveform-based methods (e.g. time-reversal imaging), GmRTM is advantageous in generating high-resolution source images with reduced imaging artefacts, especially for experiments with relatively sparse receivers. In general, the imaged AE locations are found to be scattered across the sample, suggesting a complicated fracture network rather than a well-defined major shear fracture plane, in agreement with X-ray computed tomography imaging results after retrieval of samples from the deformation apparatus. Clustering the events in space and time using the nearest-neighbour approach revealed a group of ‘repeaters’, which are spatially co-located over an elongated period of time and likely indicate crack, or shear band growth. Furthermore, we select 2196 AE events with high signal-to-noise-ratio (SNR) and conduct moment tensor estimation using the adjoint (backpropagated) strain tensor fields at the locations of AE sources. The resulting AE locations and focal mechanisms support our previously assertion that creep of basalt at the experimental conditions is accommodated dominantly by distributed microcracking.<\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Oxford University Press","journal_name":"Geophysical Journal International","journal_issue":"1","journal_volume":"237","format":"Medium: X; Size: p. 557-569","authors":["Bai, Tong (ORCID:000000033588075X)","Xing, Tiange (ORCID:000000018279936X)","Peč, Matěj (ORCID:0000000327128445)","Nakata, Nori (ORCID:0000000292959416)"],"article_type":"Published Article","doe_contract_number":"AC02–05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0956-540X","other_identifiers":["Journal ID: ISSN 0956-540X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317693"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317693"}]}, {"osti_id":"2310395","title":"Global linear and nonlinear gyrokinetic simulations of tearing modes","doi":"10.1088/1741-4326/ad279b","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion Journal Volume: 64 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>\n To better understand multi-scale interactions between global tearing modes and microturbulence in the Madison Symmetric Torus (MST) reversed-field pinch (RFP), the global gyrokinetic code\n <sc>Gene<\/sc>\n is modified to describe global tearing mode instability via a shifted Maxwellian (SM) distribution consistent with experimental equilibria. The implementation of the SM is tested and benchmarked by comparisons with different codes and models. Good agreement is obtained in code-code and code-theory comparisons. Linear stability of tearing modes of a non-reversed MST discharge is studied. A collisionality scan is performed to the lowest order unstable modes (\n <italic>n<\/italic>\n = 5,\n <italic>n<\/italic>\n = 6) and shown to behave consistently with theoretical scaling. The nonlinear evolution is simulated, and saturation is found to arise from mode coupling and transfer of energy from the most unstable tearing mode to small-scale stable modes mediated by the\n <italic>m<\/italic>\n = 2 tearing mode. The work described herein lays the foundation for nonlinear simulation and analysis of the interaction of tearing modes and gyroradius-scale instabilities in RFP plasmas.\n <\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","journal_issue":"4","journal_volume":"64","format":"Medium: X; Size: Article No. 046005","authors":["Jitsuk, T. (ORCID:0000000296048855)","Di Siena, A. (ORCID:0000000254306713)","Pueschel, M. J. (ORCID:0000000338951920)","Terry, P. W. (ORCID:0000000249819637)","Widmer, F. (ORCID:0000000232277878)","Poli, E. (ORCID:0000000175524800)","Sarff, J. S. (ORCID:0000000188836678)"],"article_type":"Published Article","doe_contract_number":"FG02-85ER-53212","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310395"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310395"}]}, {"osti_id":"2309828","title":"Rydberg-atom-based single-photon detection for haloscope axion searches","report_number":"FERMILAB-PUB-23-646-V; arXiv:2310.15352","doi":"10.1103/PhysRevD.109.032009","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D. Journal Volume: 109 Journal Issue: 3","description":"We propose a Rydberg-atom-based single-photon detector for signal readout in dark matter haloscope experiments between 40 μ e V and 200 μ e V (10 GHz and 50 GHz). At these frequencies, standard haloscope readout using linear amplifiers is limited by quantum measurement noise, which can be avoided by using a single-photon detector. Our single-photon detection scheme can offer scan rate enhancements up to a factor of 10<sup>4<\/sup> over traditional linear amplifier readout, and is compatible with many different haloscope cavities. We identify multiple haloscope designs that could use our Rydberg-atom-based single-photon detector to search for QCD axions with masses above 40 μ e V (10 GHz), currently a minimally explored parameter space.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. D.","journal_issue":"3","journal_volume":"109","format":"Medium: X","authors":["Graham, Eleanor (ORCID:0000000262354037)","Ghosh, Sumita (ORCID:0000000335020063)","Zhu, Yuqi","Bai, Xiran (ORCID:0000000273030409)","Cahn, Sidney B.","Durcan, Elsa","Jewell, Michael J.","Speller, Danielle H.","Zacarias, Sabrina M.","Zhou, Laura T.","Maruyama, Reina H. (ORCID:000000032794512X)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY","dark matter","axions","Rydberg atoms & molecules","single-photon detectors"],"article_type":"Published Article","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; PRVDAQ; 032009"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309828"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309828"}]}, {"osti_id":"2290386","title":"Fast relaxing sustainable soft vitrimer with enhanced recyclability","doi":"10.1039/D3PY01177A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Polymer Chemistry Journal Volume: 15 Journal Issue: 8","description":"<p>Soft, fully renewable vitrimers have been introduced to circumvent the lack of recyclability of traditional elastomers with permanent cross-linked structures, while preserving the advantages of rheo-structural stability, and mechanical properties.<\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Polymer Chemistry","journal_issue":"8","journal_volume":"15","format":"Medium: X; Size: p. 714-724","authors":["Rohewal, Sargun Singh [Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee 37996, USA, Chemical Sciences Division, Oak Ridge National Laboratory, 1 Bethel Valley Rd, Oak Ridge, TN 37831-6053, USA]","Kanbargi, Nihal [Chemical Sciences Division, Oak Ridge National Laboratory, 1 Bethel Valley Rd, Oak Ridge, TN 37831-6053, USA]","Young, Rebecca [NanoScience Technology Center and Department of Physics, University of Central Florida, 4353 Scorpius St, Orlando, Fl, 32816, USA]","Kearney, Logan T. [Chemical Sciences Division, Oak Ridge National Laboratory, 1 Bethel Valley Rd, Oak Ridge, TN 37831-6053, USA]","Damron, Joshua T. [Chemical Sciences Division, Oak Ridge National Laboratory, 1 Bethel Valley Rd, Oak Ridge, TN 37831-6053, USA]","Hinton, Holly [Chemical Sciences Division, Oak Ridge National Laboratory, 1 Bethel Valley Rd, Oak Ridge, TN 37831-6053, USA]","Tetard, Laurene [NanoScience Technology Center and Department of Physics, University of Central Florida, 4353 Scorpius St, Orlando, Fl, 32816, USA] (ORCID:000000031771466X)","Naskar, Amit K. [Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee 37996, USA, Chemical Sciences Division, Oak Ridge National Laboratory, 1 Bethel Valley Rd, Oak Ridge, TN 37831-6053, USA] (ORCID:0000000210940325)"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1759-9954","other_identifiers":["Journal ID: ISSN 1759-9954; PCOHC2"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290386"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290386"}]}, {"osti_id":"2293637","title":"A rechargeable liquid metal–CO\n <sub>2<\/sub>\n battery for energy storage and CO\n <sub>2<\/sub>\n reduction to carbon","doi":"10.1039/D4TA00254G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 8","description":"<p>\n The first liquid gallium–CO\n <sub>2<\/sub>\n battery achieves unprecedented power density and carbon negative effect without precious metal catalysts.\n <\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"8","journal_volume":"12","format":"Medium: X; Size: p. 4441-4446","authors":["Gabski, Jan [Department of Chemical and Environmental Engineering, University of Cincinnati, Cincinnati, OH 45221, USA]","Sun, Xinhui [Department of Chemical and Environmental Engineering, University of Cincinnati, Cincinnati, OH 45221, USA]","Iskhakova, Landysh [Department of Chemical and Environmental Engineering, University of Cincinnati, Cincinnati, OH 45221, USA]","Dong, Junhang [Department of Chemical and Environmental Engineering, University of Cincinnati, Cincinnati, OH 45221, USA] (ORCID:0000000243934968)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293637"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293637"}]}, {"osti_id":"2309797","title":"Picturing QCD jets in anisotropic matter: from jet shapes to energy energy correlators","doi":"10.1140/epjc/s10052-024-12514-1","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: European Physical Journal. C, Particles and Fields (Online) Journal Volume: 84 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Recent theoretical developments in the description of jet evolution in the quark gluon plasma have allowed to account for the effects of hydrodynamic gradients in the medium modified jet spectra. These constitute a crucial step towards using jets as tomographic probes of the nuclear matter they traverse. In this work, we complement these studies by providing leading order calculations of widely studied jet observables, taking into account matter anisotropies. We show that the energy distribution inside a jet is pushed towards the direction of the largest matter anisotropy, while the away region is depleted. As a consequence, the jet mass and girth gain a non-trivial azimuthal dependence, with the average value of the distribution increasing along the direction of largest gradients. However, we find that, for these jet shapes, matter anisotropic effects can be potentially suppressed by vacuum Sudakov factors. We argue that the recently proposed measurements of energy correlations within jets do not suffer from such effects, with the azimuthal dependence being visible in a large angular window, regardless of the shape of the distribution.<\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"European Physical Journal. C, Particles and Fields (Online)","journal_issue":"2","journal_volume":"84","format":"Medium: X","authors":["Barata, João","Milhano, José Guilherme","Sadofyev, Andrey V. (ORCID:0000000196792409)"],"article_type":"Published Article","doe_contract_number":"SC0012704","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1434-6052","other_identifiers":["Journal ID: ISSN 1434-6052; 174; PII: 12514"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309797"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309797"}]}, {"osti_id":"2309825","title":"Cacao pod transcriptome profiling of seven genotypes identifies features associated with post-penetration resistance to Phytophthora palmivora","doi":"10.1038/s41598-024-54355-8","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Scientific Reports Journal Volume: 14 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n The oomycete\n <italic>Phytophthora palmivora<\/italic>\n infects the fruit of cacao trees (\n <italic>Theobroma cacao<\/italic>\n ) causing black pod rot and reducing yields. Cacao genotypes vary in their resistance levels to\n <italic>P. palmivora<\/italic>\n , yet our understanding of how cacao fruit respond to the pathogen at the molecular level during disease establishment is limited. To address this issue, disease development and RNA-Seq studies were conducted on pods of seven cacao genotypes (ICS1, WFT, Gu133, Spa9, CCN51, Sca6 and Pound7) to better understand their reactions to the post-penetration stage of\n <italic>P. palmivora<\/italic>\n infection. The pod tissue-\n <italic>P. palmivora<\/italic>\n pathogen assay resulted in the genotypes being classified as susceptible (ICS1, WFT, Gu133 and Spa9) or resistant (CCN51, Sca6 and Pound7). The number of differentially expressed genes (DEGs) ranged from 1625 to 6957 depending on genotype. A custom gene correlation approach identified 34 correlation groups. De novo motif analysis was conducted on upstream promoter sequences of differentially expressed genes, identifying 76 novel motifs, 31 of which were over-represented in the upstream sequences of correlation groups and associated with gene ontology terms related to oxidative stress response, defense against fungal pathogens, general metabolism and cell function. Genes in one correlation group (Group 6) were strongly induced in all genotypes and enriched in genes annotated with defense-responsive terms. Expression pattern profiling revealed that genes in Group 6 were induced to higher levels in the resistant genotypes. An additional analysis allowed the identification of 17 candidate\n <italic>cis<\/italic>\n -regulatory modules likely to be involved in cacao defense against\n <italic>P. palmivora<\/italic>\n . This study is a comprehensive exploration of the cacao pod transcriptional response to\n <italic>P. palmivora<\/italic>\n spread after infection. We identified cacao genes, promoter motifs, and promoter motif combinations associated with post-penetration resistance to\n <italic>P. palmivora<\/italic>\n in cacao pods and provide this information as a resource to support future and ongoing efforts to breed\n <italic>P. palmivora<\/italic>\n -resistant cacao.\n <\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: X","authors":["Baruah, Indrani K.","Shao, Jonathan","Ali, Shahin S.","Schmidt, Martha E.","Meinhardt, Lyndel W.","Bailey, Bryan A.","Cohen, Stephen P."],"article_type":"Published Article","doe_contract_number":"Research Participation Program","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; 4175; PII: 54355"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309825"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309825"}]}, {"osti_id":"2311073","title":"Adaptive variational ground state preparation for spin-1 models on qubit-based architectures","report_number":"IS-J-11,272","doi":"10.1103/physrevb.109.085128","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 8","description":"Here, we apply the adaptive variational quantum imaginary time evolution (AVQITE) method to prepare ground states of one-dimensional spin S = 1 models. We compare different spin-to-qubit encodings (standard binary, Gray, unary, and multiplet) with regard to the performance and quantum resource cost of the algorithm. Using state-vector simulations, we study two well-known spin-1 models: the Blume-Capel model of transverse-field Ising spins with single-ion anisotropy, and the XXZ model with single-ion anisotropy. We consider system sizes of up to 20 qubits, which corresponds to spin-1 chains up to length 10. We determine the dependence of the number of CNOT gates in the AVQITE state preparation circuit on the encoding, the initial state, and the choice of operator pool in the adaptive method. Independent of the choice of encoding, we find that the CNOT gate count scales cubically with the number of spins for the Blume-Capel model and quartically for the anisotropic XXZ model. However, the multiplet and Gray encodings present smaller prefactors in the scaling relations. These results provide useful insights for the implementation of AVQITE on quantum hardware.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"8","journal_volume":"109","format":"Medium: ED; Size: Article No. 085128","authors":["Getelina, João C. [Ames Laboratory (AMES), Ames, IA (United States)]","Wang, Cai-Zhuang [Ames Lab., and Iowa State Univ., Ames, IA (United States)]","Iadecola, Thomas [Ames Lab., and Iowa State Univ., Ames, IA (United States)] (ORCID:0000000251456441)","Yao, Yong-Xin [Ames Lab., and Iowa State Univ., Ames, IA (United States)] (ORCID:0000000278305942)","Orth, Peter P. [Ames Lab., and Iowa State Univ., Ames, IA (United States); Saarland University Campus, Saarbrücken (Germany)] (ORCID:0000000321838120)"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY","critical phenomena","magnetic phase transitions","order parameters","phase diagrams","quantum circuits","quantum computation","quantum phase transitions","quantum simulation"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311073"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311073"}]}, {"osti_id":"2309829","title":"<i>Populus<\/i>\n  \n <scp>MYC2<\/scp>\n orchestrates root transcriptional reprogramming of defence pathway to impair\n <i>Laccaria bicolor<\/i>\n ectomycorrhizal development","doi":"10.1111/nph.19609","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: New Phytologist","description":"<title>Summary<\/title>\n <p>\n <list list-type=\'bullet\'>\n <list-item>\n <p>\n The jasmonic acid (JA) signalling pathway plays an important role in the establishment of the ectomycorrhizal symbiosis. The\n <italic>Laccaria bicolor<\/italic>\n effector MiSSP7 stabilizes JA corepressor JAZ6, thereby inhibiting the activity of\n <italic>Populus<\/italic>\n MYC2 transcription factors. Although the role of MYC2 in orchestrating plant defences against pathogens is well established, its exact contribution to ECM symbiosis remains unclear. This information is crucial for understanding the balance between plant immunity and symbiotic relationships.\n <\/p>\n <\/list-item>\n <list-item>\n <p>Transgenic poplars overexpressing or silencing for the two paralogues of MYC2 transcription factor (MYC2s) were produced, and their ability to establish ectomycorrhiza was assessed. Transcriptomics and DNA affinity purification sequencing were performed.<\/p>\n <\/list-item>\n <list-item>\n <p>MYC2s overexpression led to a decrease in fungal colonization, whereas its silencing increased it. The enrichment of terpene synthase genes in the MYC2‐regulated gene set suggests a complex interplay between the host monoterpenes and fungal growth. Several root monoterpenes have been identified as inhibitors of fungal growth and ECM symbiosis.<\/p>\n <\/list-item>\n <list-item>\n <p>Our results highlight the significance of poplar MYC2s and terpenes in mutualistic symbiosis by controlling root fungal colonization. We identified poplar genes which direct or indirect control by MYC2 is required for ECM establishment. These findings deepen our understanding of the molecular mechanisms underlying ECM symbiosis.<\/p>\n <\/list-item>\n <\/list>\n <\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"New Phytologist","format":"Medium: X","authors":["Marqués‐Gálvez, José Eduardo [Université de Lorraine, INRAE, UMR 1136 Interactions Arbres‐Microorganismes Centre INRAE Grand Est‐Nancy Champenoux 54280 France] (ORCID:0000000312735082)","Pandharikar, Gaurav [Université de Lorraine, INRAE, UMR 1136 Interactions Arbres‐Microorganismes Centre INRAE Grand Est‐Nancy Champenoux 54280 France] (ORCID:0000000243185549)","Basso, Veronica [Université de Lorraine, INRAE, UMR 1136 Interactions Arbres‐Microorganismes Centre INRAE Grand Est‐Nancy Champenoux 54280 France] (ORCID:0000000332731492)","Kohler, Annegret [Université de Lorraine, INRAE, UMR 1136 Interactions Arbres‐Microorganismes Centre INRAE Grand Est‐Nancy Champenoux 54280 France] (ORCID:0000000295759567)","Lackus, Nathalie D. [Lehrstuhl für Pharmazeutische Biologie, Julius‐von‐Sachs‐Institut für Biowissenschaften, Julius‐Maximilians‐Universität Würzburg Julius‐von‐Sachs‐Platz 2 Würzburg 97082 Deutschland] (ORCID:0000000204198937)","Barry, Kerrie [US Department of Energy Joint Genome Institute, Lawrence Berkeley National Laboratory Berkeley CA 94720 USA] (ORCID:0000000289996785)","Keymanesh, Keykhosrow [US Department of Energy Joint Genome Institute, Lawrence Berkeley National Laboratory Berkeley CA 94720 USA]","Johnson, Jenifer [US Department of Energy Joint Genome Institute, Lawrence Berkeley National Laboratory Berkeley CA 94720 USA]","Singan, Vasanth [US Department of Energy Joint Genome Institute, Lawrence Berkeley National Laboratory Berkeley CA 94720 USA] (ORCID:0000000299835707)","Grigoriev, Igor V. [US Department of Energy Joint Genome Institute, Lawrence Berkeley National Laboratory Berkeley CA 94720 USA, Department of Plant and Microbial Biology University of California Berkeley Berkeley CA 94720 USA] (ORCID:0000000231368903)","Vilgalys, Rytas [Department of Biology Duke University Durham NC 27708 USA] (ORCID:0000000182993605)","Martin, Francis [Université de Lorraine, INRAE, UMR 1136 Interactions Arbres‐Microorganismes Centre INRAE Grand Est‐Nancy Champenoux 54280 France] (ORCID:0000000247373715)","Veneault‐Fourrey, Claire [Université de Lorraine, INRAE, UMR 1136 Interactions Arbres‐Microorganismes Centre INRAE Grand Est‐Nancy Champenoux 54280 France] (ORCID:0000000197782659)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0028-646X","other_identifiers":["Journal ID: ISSN 0028-646X; nph.19609"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309829"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309829"}]}, {"osti_id":"2310262","title":"Structure and Reactivity of Binuclear Cu Active Sites in Cu-CHA Zeolites for Stoichiometric Partial Methane Oxidation to Methanol","doi":"10.1021/acscatal.3c06181","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Catalysis; Journal Volume: 14","description":"Aluminosilicate zeolites exchanged with copper ions facilitate partial methane oxidation (PMO) to methanol in stoichiometric oxidation and reduction cycles, yet the identities of active Cu sites and details of the reaction mechanism remain debated. Here, we use the high-symmetry chabazite (CHA) zeolite framework as a model support to probe the relationship between bulk composition, Cu speciation, and response to various oxidizing and reducing treatments. Density functional theory and first-principles thermodynamics combined with statistical models reveal that Cu speciation and composition depend strongly on Al configuration and external gas conditions. Cu-CHA samples were synthesized to survey broad regions of Si/Al and Cu/Al composition space and framework Al proximity. Characterization by in situ X-ray absorption and UV–visible spectroscopy during exposure to different oxidation conditions reveal that the extent of Cu oxidation is sensitive to activation conditions and thus that both kinetic and thermodynamic factors influence Cu oxidizability in a given material. Similar characterizations during CO reduction reveal that CO titrates Cu<sup>2+<\/sup> in amounts suggesting the presence of both O- and O<sub>2<\/sub>-bridged species. In contrast, CH<sub>4<\/sub> and autoreduction (He) treatments reduce similar but smaller numbers of Cu sites than CO, implicating O<sub>2<\/sub>-bridged Cu dimers as a potential common intermediate in the former reduction pathways. Furthermore, a systematic increase in methanol yields (per Cu) in stoichiometric PMO cycles increase with the fraction of binuclear O<sub>x<\/sub>-bridged Cu sites suggests these species as active sites, as depicted in an updated PMO reaction mechanism.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"ACS Catalysis","journal_volume":"14","format":"Medium: ED; Size: p. 3647-3663","authors":["Wilcox, Laura N. [Purdue University, West Lafayette, IN (United States)]","Rebolledo-Oyarce, Jose [University of Notre Dame, IN (United States)] (ORCID:0000000157285180)","Mikes, Andrew D. [Purdue University, West Lafayette, IN (United States)] (ORCID:0000000239223282)","Wang, Yujia [University of Notre Dame, IN (United States)] (ORCID:0000000267154114)","Schneider, William F. [University of Notre Dame, IN (United States)] (ORCID:0000000306642138)","Gounder, Rajamani [Purdue University, West Lafayette, IN (United States)] (ORCID:000000031347534X)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","binuclear active sites","Cu-zeolites","partial methane oxidation","spectroscopy","titration","chemical structure","energy","free energy","oxidation","zeolites"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0019026; AC02-06CH11357","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Purdue Univ., West Lafayette, IN (United States)"}],"research_orgs":["Purdue Univ., West Lafayette, IN (United States)"],"journal_issn":"ISSN 2155-5435","other_identifiers":["Journal ID: ISSN 2155-5435"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310262"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310262"}]}, {"osti_id":"2322452","title":"Host and nonhost bacteria support bacteriophage dissemination along mycelia and abiotic dispersal networks","doi":"10.1093/femsml/uqae004","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: microLife Journal Volume: 5","description":"<title>Abstract<\/title>\n <p>Bacteriophages play a crucial role in shaping bacterial communities, yet the mechanisms by which nonmotile bacteriophages interact with their hosts remain poorly understood. This knowledge gap is especially pronounced in structured environments like soil, where spatial constraints and air-filled zones hinder aqueous diffusion. In soil, hyphae of filamentous microorganisms form a network of ‘fungal highways’ (FHs) that facilitate the dispersal of other microorganisms. We propose that FHs also promote bacteriophage dissemination. Viral particles can diffuse in liquid films surrounding hyphae or be transported by infectable (host) or uninfectable (nonhost) bacterial carriers coexisting on FH networks. To test this, two bacteriophages that infect Pseudomonas putida DSM291 (host) but not KT2440 (nonhost) were used. In the absence of carriers, bacteriophages showed limited diffusion on 3D-printed abiotic networks, but diffusion was significantly improved in Pythium ultimum-formed FHs when the number of connecting hyphae exceeded 20. Transport by both host and nonhost carriers enhanced bacteriophage dissemination. Host carriers were five times more effective in transporting bacteriophages, particularly in FHs with over 30 connecting hyphae. This study enhances our understanding of bacteriophage dissemination in nonsaturated environments like soils, highlighting the importance of biotic networks and bacterial hosts in facilitating this process.<\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"Oxford University Press","journal_name":"microLife","journal_volume":"5","format":"Medium: X","authors":["Périat, Claire (ORCID:000000020825625X)","Kuhn, Thierry","Buffi, Matteo","Corona-Ramirez, Andrea","Fatton, Mathilda","Cailleau, Guillaume","Chain, Patrick S.","Stanley, Claire E.","Wick, Lukas Y.","Bindschedler, Saskia","Gonzalez, Diego","Li Richter, Xiang-Yi (ORCID:0000000186620865)","Junier, Pilar (ORCID:0000000286183340)"],"article_type":"Published Article","doe_contract_number":"LANLF59T","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2633-6693","other_identifiers":["Journal ID: ISSN 2633-6693; uqae004"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322452"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322452"}]}, {"osti_id":"2309826","title":"A General Materials Data Science Framework for Quantitative 2D Analysis of Particle Growth from Image Sequences","report_number":"LLNL-JRNL-854818","doi":"10.1007/s40192-024-00342-w","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Integrating Materials and Manufacturing Innovation Journal Volume: 13 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Phase transformations are a challenging problem in materials science, which lead to changes in properties and may impact performance of material systems in various applications. We introduce a general framework for the analysis of particle growth kinetics by utilizing concepts from machine learning and graph theory. As a model system, we use image sequences of atomic force microscopy showing the crystallization of an amorphous fluoroelastomer film. To identify crystalline particles in an amorphous matrix and track the temporal evolution of the particle dispersion, we have developed quantitative methods of 2D analysis. 700 image sequences were analyzed using a neural network architecture, achieving 0.97 pixel-wise classification accuracy as a measure of the correctly classified pixels. The growth kinetics of isolated and impinged particles were tracked throughout time using these image sequences. The relationship between image sequences and spatiotemporal graph representations was explored to identify the proximity of crystallites from each other. The framework enables the analysis of all image sequences without the requirement of sampling for specific particles or timesteps for various materials systems.<\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Integrating Materials and Manufacturing Innovation","journal_issue":"1","journal_volume":"13","format":"Medium: X; Size: p. 71-82","authors":["Nalin Venkat, Sameera (ORCID:0000000291144602)","Ciardi, Thomas G. (ORCID:0009000609422666)","Lu, Mingjian (ORCID:0009000356226041)","DeLeo, Preston C.","Augustino, Jube","Goodman, Adam","Jimenez, Jayvic Cristian (ORCID:0000000223425648)","Mondal, Anirban (ORCID:0000000241002366)","Ernst, Frank (ORCID:0000000248232041)","Orme, Christine A. (ORCID:0000000336523367)","Wu, Yinghui (ORCID:0000000339915155)","French, Roger H. (ORCID:0000000261620532)","Bruckman, Laura S. (ORCID:0000000312711072)"],"subjects":["36 MATERIALS SCIENCE","image analysis","particle growth kinetics","materials data science"],"article_type":"Published Article","doe_contract_number":"NA0004104; AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 2193-9764","other_identifiers":["Journal ID: ISSN 2193-9764; PII: 342"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309826"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309826"}]}, {"osti_id":"2317786","title":"Anomalous isotope effect on the optical bandgap in a monolayer transition metal dichalcogenide semiconductor","doi":"10.1126/sciadv.adj0758","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Science Advances; Journal Volume: 10; Journal Issue: 8","description":"Isotope effects have received increasing attention in materials science and engineering because altering isotopes directly affects phonons, which can affect both thermal properties and optoelectronic properties of conventional semiconductors. However, how isotopic mass affects the optoelectronic properties in 2D semiconductors remains unclear because of measurement uncertainties resulting from sample heterogeneities. Here, we report an anomalous optical bandgap energy red shift of 13 (±7) milli–electron volts as mass of Mo isotopes is increased in laterally structured <sup>100<\/sup>MoS<sub>2<\/sub>-<sup>92<\/sup>MoS<sub>2<\/sub> monolayers grown by a two-step chemical vapor deposition that mitigates the effects of heterogeneities. This trend, which is opposite to that observed in conventional semiconductors, is explained by many-body perturbation and time-dependent density functional theories that reveal unusually large exciton binding energy renormalizations exceeding the ground-state renormalization energy due to strong coupling between confined excitons and phonons. The isotope effect on the optical bandgap reported here provides perspective on the important role of exciton-phonon coupling in the physical properties of two-dimensional materials.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"AAAS","journal_name":"Science Advances","journal_issue":"8","journal_volume":"10","format":"Medium: ED; Size: Article No. eadj0758","authors":["Yu, Yiling [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS); Wuhan Univ. (China)] (ORCID:0000000171801137)","Turkowski, Volodymyr [Univ. of Central Florida, Orlando, FL (United States)] (ORCID:0000000307620002)","Hachtel, Jordan A. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000297280920)","Puretzky, Alexander A. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000299964429)","Ievlev, Anton V. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000336450508)","Din, Naseem U. [Univ. of Central Florida, Orlando, FL (United States)] (ORCID:0000000279724057)","Harris, Sumner B. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000349050482)","Iyer, Vasudevan [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000227227630)","Rouleau, Christopher M. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000254883537)","Rahman, Talat S. [Univ. of Central Florida, Orlando, FL (United States)] (ORCID:0000000338897776)","Geohegan, David B. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000302733139)","Xiao, Kai [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000204028276)"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; FG02-07ER46354; 62204176","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"National Natural Science Foundation of China (NSFC)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","National Natural Science Foundation of China (NSFC)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)"],"journal_issn":"ISSN 2375-2548","other_identifiers":["Journal ID: ISSN 2375-2548"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317786"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2317786"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317786"}]}, {"osti_id":"2309806","title":"Empirical Dynamic Modeling Reveals Complexity of Methane Fluxes in a Temperate Salt Marsh","doi":"10.1029/2023JG007630","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Geophysical Research. Biogeosciences Journal Volume: 129 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Methane dynamics within salt marshes are complex because vegetation types, temperature, oscillating water levels, and changes in salinity and redox conditions influence CH\n <sub>4<\/sub>\n production, consumption, oxidation, and emissions. These non‐linear and complex interactions among variables affect the traditionally expected functional relationships and present challenges for interpreting and developing process‐based models. We employed empirical dynamic modeling (EDM) and convergent cross mapping (CCM) as a novel approach for characterizing seasonal/multiday and diurnal CH\n <sub>4<\/sub>\n dynamics by inferring causal variables, lags, and interconnections among multiple biophysical variables within a temperate salt marsh using 5 years of eddy covariance data. EDM/CCM is a nonparametric approach capable of quantifying the coupling between variables while determining time scales where variable interactions are the most relevant. We found that gross primary productivity, tidal creek dissolved oxygen, and temperature were important for seasonal/multiday dynamics (rho = 0.73–0.80), while water level was most important for diurnal dynamics during both the growing and dormancy phenoperiods (rho = 0.72 and 0.56, respectively). Lags for the top‐ranked variables (i.e., gross primary productivity, dissolved oxygen, temperature, water level) occurred between 1 and 5 weeks at the seasonal scale and 1–24 hr at the diurnal scale. The EDM had high prediction capabilities for intra‐/inter‐seasonal patterns and annual CH\n <sub>4<\/sub>\n sums but had limitations in representing large, infrequent fluxes. Results highlight the importance of non‐linearity, drivers, lag times, and interconnections among multiple biophysical variables that regulate CH\n <sub>4<\/sub>\n fluxes in tidal wetlands. This research introduces a novel approach to examining CH\n <sub>4<\/sub>\n fluxes, which will aid in evaluating current paradigms in wetlands and other ecosystems.\n <\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Geophysical Research. Biogeosciences","journal_issue":"2","journal_volume":"129","format":"Medium: X","authors":["Hill, Andrew C. [Department of Plant &, Soil Sciences University of Delaware Newark DE USA, Northern Research Station United States Forest Service Grand Rapids MN USA] (ORCID:0000000150839208)","Schäfer, Karina V. R. [Department of Earth and Environmental Sciences Rutgers University Newark NJ USA]","Forbrich, Inke [Marine Biological Laboratory The Ecosystems Center Woods Hole MA USA, Department of Environmental Sciences University of Toledo Toledo OH USA] (ORCID:0000000206327317)","Vargas, Rodrigo [Department of Plant &, Soil Sciences University of Delaware Newark DE USA] (ORCID:0000000168295333)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2169-8953","other_identifiers":["Journal ID: ISSN 2169-8953; e2023JG007630"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309806"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309806"}]}, {"osti_id":"2309795","title":"Deep energy-pressure regression for a thermodynamically consistent EOS model","doi":"10.1088/2632-2153/ad2626","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Machine Learning: Science and Technology Journal Volume: 5 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>In this paper, we aim to explore novel machine learning (ML) techniques to facilitate and accelerate the construction of universal equation-Of-State (EOS) models with a high accuracy while ensuring important thermodynamic consistency. When applying ML to fit a universal EOS model, there are two key requirements: (1) a high prediction accuracy to ensure precise estimation of relevant physics properties and (2) physical interpretability to support important physics-related downstream applications. We first identify a set of fundamental challenges from the accuracy perspective, including an extremely wide range of input/output space and highly sparse training data. We demonstrate that while a neural network (NN) model may fit the EOS data well, the black-box nature makes it difficult to provide physically interpretable results, leading to weak accountability of prediction results outside the training range and lack of guarantee to meet important thermodynamic consistency constraints. To this end, we propose a principled deep regression model that can be trained following a meta-learning style to predict the desired quantities with a high accuracy using scarce training data. We further introduce a uniquely designed kernel-based regularizer for accurate uncertainty quantification. An ensemble technique is leveraged to battle model overfitting with improved prediction stability. Auto-differentiation is conducted to verify that necessary thermodynamic consistency conditions are maintained. Our evaluation results show an excellent fit of the EOS table and the predicted values are ready to use for important physics-related tasks.<\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"IOP Publishing","journal_name":"Machine Learning: Science and Technology","journal_issue":"1","journal_volume":"5","format":"Medium: X; Size: Article No. 015031","authors":["Yu, Dayou (ORCID:0009000223734907)","Shankar Pandey, Deep (ORCID:0009000614043716)","Hinz, Joshua","Mihaylov, Deyan (ORCID:0000000288745503)","Karasiev, Valentin V. (ORCID:0000000334456797)","Hu, S. X. (ORCID:0000000324653818)","Yu, Qi (ORCID:0000000204265407)"],"subjects":["97 MATHEMATICS AND COMPUTING","equation-of-state","meta-learning","uncertainty quantification"],"article_type":"Published Article","doe_contract_number":"NA0003856; NA0004144; PHY-2020249","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Univ. of Rochester, NY (United States)"}],"research_orgs":["Univ. of Rochester, NY (United States)"],"journal_issn":"ISSN 2632-2153","other_identifiers":["Journal ID: ISSN 2632-2153"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309795"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309795"}]}, {"osti_id":"2319059","title":"NSTX-U research advancing the physics of spherical tokamaks","doi":"10.1088/1741-4326/ad3092","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion","description":"<title>Abstract<\/title>\n <p>The objectives of NSTX-U research are to reinforce the advantages of STs while addressing the challenges. To extend confinement physics of low-A, high beta plasmas to lower collisionality levels, understanding of the transport mechanisms that set confinement performance and pedestal profiles is being advanced through gyrokinetic simulations, reduced model development, and comparison to NSTX experiment, as well as improved simulation of RF heating. To develop stable non-inductive scenarios needed for steady-state operation, various performance-limiting modes of instability were studied, including MHD, tearing modes, and energetic particle instabilities. Predictive tools were developed, covering disruptions, runaway electrons, equilibrium reconstruction, and control tools. To develop power and particle handling techniques to optimize plasma exhaust in high performance scenarios, innovative lithium-based solutions are being developed to handle the very high heat flux levels that the increased heating power and compact geometry of NSTX-U will produce, and will be seen in future STs. Predictive capabilities accounting for plasma phenomena, like edge harmonic oscillations, ELMs, and blobs, are being tested and improved. In these ways, NSTX-U researchers are advancing the physics understanding of ST plasmas to maximize the benefit that will be gained from further NSTX-U experiments and to increase confidence in projections to future devices.<\/p>","publication_date":"2024-03-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","format":"Medium: X","authors":["Berkery, John W. (ORCID:0000000280623210)","Adebayo-Ige, Promise Oluwagbope (ORCID:0000000302591433)","Al Khawaldeh, H.","Avdeeva, Galina (ORCID:0000000170727967)","Baek, Seung Gyou","Banerjee, Santanu (ORCID:0000000308598855)","Barada, K.","Battaglia, Devon","Bell, Ronald E. (ORCID:000000019544498X)","Belli, Emily A. (ORCID:0000000179472841)","Belova, Elena (ORCID:0000000215251027)","Bertelli, Nicola (ORCID:0000000293267585)","Bisai, Nirmal (ORCID:0000000325073727)","Bonoli, Paul T.","Boyer, Dan","Butt, Jalal","Candy, Jeff (ORCID:0000000338846485)","Chang, Choong Seock","Clauser, Cesar F. (ORCID:0000000225975061)","Corona Rivera, L. D.","Curie, M.","de Vries, Peter C. (ORCID:0000000173045486)","Diab, Raymond (ORCID:0000000342065868)","Diallo, Ahmed (ORCID:000000020706060X)","Dominski, Julien (ORCID:0000000193802544)","Duarte, Vinicius N. (ORCID:0000000180967518)","Emdee, Eric (ORCID:0000000333342077)","Ferraro, N. (ORCID:0000000263487827)","Fitzpatrick, R.","Foley, E. L.","Fredrickson, Eric","Galante, M.","Gan, Kaifu","Gerhardt, Stefan P.","Goldston, Robert James (ORCID:0000000203685514)","Guttenfelder, W.","Hager, R.","Hanson, Michael O. (ORCID:0000000259003471)","Jardin, Stephen C. (ORCID:0000000163906908)","Jenkins, Thomas G. (ORCID:000000026457288X)","Kaye, Stanley M. (ORCID:0000000225141163)","Khodak, Andrei (ORCID:0000000282736614)","Kinsey, Jon","Kleiner, Andreas (ORCID:0000000258008027)","Kolemen, Egemen (ORCID:0000000342123247)","Ku, Seung-Hoe","Lampert, Mate","Leard, Brian (ORCID:000000034141080X)","LeBlanc, Benoit P.","Lestz, Jeff (ORCID:0000000269751537)","Levinton, Fred","Liu, Chang (ORCID:000000026747955X)","Looby, T.","Lunsford, Robert (ORCID:0000000335886801)","Macwan, T.","Maingi, R. (ORCID:0000000312388121)","McClenaghan, Joseph","Menard, Jonathan E. (ORCID:0000000312923286)","Munaretto, Stefano (ORCID:0000000314650971)","Ono, Masayuki (ORCID:0000000198499417)","Pajares, Andres (ORCID:0000000192519675)","Parisi, Jason F. (ORCID:0000000313287154)","Park, J. -K.","Parsons, M.","Patel, Bhavin S. (ORCID:0000000301211187)","Petrov, Yuri V. (ORCID:0000000346121951)","Podesta, Mario (ORCID:0000000349750585)","Poli, F.","Porcelli, M.","Rafiq, Tariq (ORCID:0000000221641582)","Sabbagh, Steve A.","Sanchez-Villar, Alvaro (ORCID:0000000337279319)","Schuster, Eugenio","Schwartz, J.","Sharma, A.","Shiraiwa, Syunichi (ORCID:0000000152490441)","Sinha, Priyanjana (ORCID:0000000205670279)","Smith, David","Smith, Sterling P.","Soukhanovskii, V.","Staebler, Gary M. (ORCID:0000000219441733)","Startsev, Edward A.","Stratton, Brentley","Thome, Kathreen E. (ORCID:0000000248013922)","Tierens, Wouter","Tobin, Matthew (ORCID:0000000322766448)","Uzun-Kaymak, I.","Van Compernolle, Bart","Wai, J.","Wang, Weixing","Wehner, Will P.","Welander, Anders S.","Yang, James (ORCID:0000000184228464)","Zamkovska, Veronika (ORCID:0000000184374576)","Zhang, X.","Zhu, Xiaolong","Zweben, S."],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319059"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319059"}]}, {"osti_id":"2310393","title":"Accurate Surface and Finite-Temperature Bulk Properties of Lithium Metal at Large Scales Using Machine Learning Interaction Potentials","doi":"10.1021/acsomega.3c10014","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Omega Journal Volume: 9 Journal Issue: 9","description":"The properties of lithium metal are key parameters in the design of lithium-ion and lithium-metal batteries. They are difficult to probe experimentally due to the high reactivity and low melting point of lithium as well as the microscopic scales at which lithium exists in batteries where it is found to have enhanced strength, with implications for dendrite suppression strategies. Computationally, there is a lack of empirical potentials that are consistently quantitatively accurate across all properties, and ab initio calculations are too costly. In this work, we train a machine learning interaction potential on density functional theory (DFT) data to state-of-the-art accuracy in reproducing experimental and ab initio results across a wide range of simulations at large length and time scales. We accurately predict thermodynamic properties, phonon spectra, temperature dependence of elastic constants, and various surface properties inaccessible using DFT. We establish that there exists a weak Bell–Evans–Polanyi relation correlating the self-adsorption energy and the minimum surface diffusion barrier for high Miller index facets.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Omega","journal_issue":"9","journal_volume":"9","format":"Medium: X; Size: p. 10904-10912","authors":["Phuthi, Mgcini Keith [Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh 15213, Pennsylvania, United States]","Yao, Archie Mingze [Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh 15213, Pennsylvania, United States] (ORCID:000000016369129X)","Batzner, Simon [School of Engineering and Applied Science, Harvard University, Cambridge 02138, Massachusetts, United States]","Musaelian, Albert [School of Engineering and Applied Science, Harvard University, Cambridge 02138, Massachusetts, United States]","Guan, Pinwen [Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh 15213, Pennsylvania, United States] (ORCID:0000000244843216)","Kozinsky, Boris [School of Engineering and Applied Science, Harvard University, Cambridge 02138, Massachusetts, United States] (ORCID:000000020638539X)","Cubuk, Ekin Dogus [Google DeepMind, Kings Cross, London N1C4AG, U.K.]","Viswanathan, Venkatasubramanian [Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh 15213, Pennsylvania, United States] (ORCID:0000000310605495)"],"subjects":["Adsorption","Density functional theory","Diffusion","Energy","Lithium"],"article_type":"Published Article","doe_contract_number":"SC0021110","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"],"orgs_research":[{"name":"Carnegie Mellon Univ., Pittsburgh, PA (United States)"}],"research_orgs":["Carnegie Mellon Univ., Pittsburgh, PA (United States)"],"journal_issn":"ISSN 2470-1343","other_identifiers":["Journal ID: ISSN 2470-1343"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310393"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310393"}]}, {"osti_id":"1983779","title":"Phase-controlled improvement of photon lifetime in coupled superconducting cavities","report_number":"FERMILAB-PUB-23-190-SQMS; arXiv:2305.15662","doi":"10.1103/physrevapplied.21.024040","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Applied; Journal Volume: 21; Journal Issue: 2","description":"High-quality cavities are crucial for various fundamental physical studies and applications. In this report we find that by coupling two cavities directly or via a phase-tunable coupling channel, the photon lifetime of the local field can exceed that of the bare cavities. The cavity photon lifetime is modified by the phases of the initial states and the phase accumulation on the coupling channel, which affect the interference between cavities. In experiments, by coupling superconducting radio-frequency cavities via phase-tunable cables, we realize a factor of 2 improvement in the cavity photon lifetime. The results can bring rich revenue to quantum information science, sensing, and high-energy physics.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review Applied","journal_issue":"2","journal_volume":"21","format":"Medium: ED; Size: Article No. 024040","authors":["Wang, Changqing [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States).Superconducting Quantum Materials and Systems Center] (ORCID:0000000198073045)","Melnychuk, Oleksandr S. [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States).Superconducting Quantum Materials and Systems Center] (ORCID:0000000220898685)","Contreras-Martinez, Crispin [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States).Superconducting Quantum Materials and Systems Center] (ORCID:0000000186010741)","Lu, Yao [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States).Superconducting Quantum Materials and Systems Center]","Pischalnikov, Yuriy M. [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States).Superconducting Quantum Materials and Systems Center] (ORCID:0000000193539029)","Pronitchev, Oleg [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States).Superconducting Quantum Materials and Systems Center] (ORCID:0009000911601278)","Giaccone, Bianca [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States).Superconducting Quantum Materials and Systems Center] (ORCID:0000000272758465)","Pilipenko, Roman [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States).Superconducting Quantum Materials and Systems Center] (ORCID:0000000163230354)","Zorzetti, Silvia [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States).Superconducting Quantum Materials and Systems Center] (ORCID:0000000232083387)","Posen, Sam [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States).Superconducting Quantum Materials and Systems Center] (ORCID:000000026499306X)","Romanenko, Alexander [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States).Superconducting Quantum Materials and Systems Center] (ORCID:0000000313780870)","Grassellino, Anna [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States).Superconducting Quantum Materials and Systems Center] (ORCID:0000000239858296)"],"subjects":["43 PARTICLE ACCELERATORS","72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY","cavity quantum electrodynamics","open quantum systems and decoherence","quantum harmonic oscillator","superconducting RF","superconducting quantum optics","coupled oscillators","cavity resonators","microwave techniques"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 2331-7019","other_identifiers":["Journal ID: ISSN 2331-7019; oai:inspirehep.net:2662576"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/1983779"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/1983779"}]}, {"osti_id":"2309792","title":"Emergent temperature sensitivity of soil organic carbon driven by mineral associations","report_number":"LLNL-JRNL-844927","doi":"10.1038/s41561-024-01384-7","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Geoscience Journal Volume: 17 Journal Issue: 3","description":"Soil organic matter decomposition and its interactions with climate depend on whether the organic matter is associated with soil minerals. However, data limitations have hindered global-scale analyses of mineral-associated and particulate soil organic carbon pools and their benchmarking in Earth system models used to estimate carbon cycle–climate feedbacks. Here we analyse observationally derived global estimates of soil carbon pools to quantify their relative proportions and compute their climatological temperature sensitivities as the decline in carbon with increasing temperature. We find that the climatological temperature sensitivity of particulate carbon is on average 28% higher than that of mineral-associated carbon, and up to 53% higher in cool climates. Moreover, the distribution of carbon between these underlying soil carbon pools drives the emergent climatological temperature sensitivity of bulk soil carbon stocks. However, global models vary widely in their predictions of soil carbon pool distributions. We show that the global proportion of model pools that are conceptually similar to mineral-protected carbon ranges from 16 to 85% across Earth system models from the Coupled Model Intercomparison Project Phase 6 and offline land models, with implications for bulk soil carbon ages and ecosystem responsiveness. To improve projections of carbon cycle–climate feedbacks, it is imperative to assess underlying soil carbon pools to accurately predict the distribution and vulnerability of soil carbon.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Geoscience","journal_issue":"3","journal_volume":"17","format":"Medium: X; Size: p. 205-212","authors":["Georgiou, Katerina (ORCID:0000000228193292)","Koven, Charles D. (ORCID:0000000233670065)","Wieder, William R. (ORCID:0000000171161985)","Hartman, Melannie D.","Riley, William J. (ORCID:0000000246152304)","Pett-Ridge, Jennifer (ORCID:0000000244392398)","Bouskill, Nicholas J. (ORCID:0000000265778724)","Abramoff, Rose Z. (ORCID:0000000233933064)","Slessarev, Eric W. (ORCID:0000000240761950)","Ahlström, Anders (ORCID:0000000316420037)","Parton, William J.","Pellegrini, Adam F. A. (ORCID:0000000304184129)","Pierson, Derek (ORCID:0000000334131693)","Sulman, Benjamin N. (ORCID:0000000232656691)","Zhu, Qing (ORCID:000000032441944X)","Jackson, Robert B. (ORCID:0000000188467147)"],"subjects":["54 ENVIRONMENTAL SCIENCES","biogeochemistry","carbon cycle","climate and earth system modelling","projection and prediction"],"article_type":"Published Article","doe_contract_number":"AC52-07NA27344; AC02-05CH11231; AC05-00OR22725; 1926413; 2031238","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program","USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1752-0894","other_identifiers":["Journal ID: ISSN 1752-0894; PII: 1384"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309792"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309792"}]}, {"osti_id":"2308893","title":"Computing tools for effective field theories: SMEFT-Tools 2022 Workshop Report, 14–16th September 2022, Zürich","doi":"10.1140/epjc/s10052-023-12323-y","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: European Physical Journal. C, Particles and Fields (Online) Journal Volume: 84 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>In recent years, theoretical and phenomenological studies with effective field theories have become a trending and prolific line of research in the field of high-energy physics. In order to discuss present and future prospects concerning automated tools in this field, the SMEFT-Tools 2022 workshop was held at the University of Zurich from 14th–16th September 2022. The current document collects and summarizes the content of this workshop.<\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"European Physical Journal. C, Particles and Fields (Online)","journal_issue":"2","journal_volume":"84","format":"Medium: X","authors":["Aebischer, Jason","Fael, Matteo (ORCID:0000000245419636)","Fuentes-Martìn, Javier","Thomsen, Anders Eller","Virto, Javier","Allwicher, Lukas","Bakshi, Supratim Das","Bélusca-Maïto, Hermès","de Blas, Jorge","Chala, Mikael","Criado, Juan Carlos","Dedes, Athanasios","Fonseca, Renato M.","Goncalves, Angelica","Ilakovac, Amon","König, Matthias","Patra, Sunando Kumar","Kühler, Paul","Mador-Božinović, Marija","Misiak, Mikołaj","Miralles, Víctor","Nałȩcz, Ignacy","Reboud, Méril","Reina, Laura","Rosiek, Janusz","Ryczkowski, Michal","Santiago, José","Silvestrini, Luca","Stangl, Peter","Stöckinger, Dominik","Stoffer, Peter","Vicente, Avelino","Weißwange, Matthias"],"article_type":"Published Article","doe_contract_number":"SC0010102","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1434-6052","other_identifiers":["Journal ID: ISSN 1434-6052; 170; PII: 12323"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308893"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308893"}]}, {"osti_id":"2309805","title":"Homologous mutations in human β, embryonic, and perinatal muscle myosins have divergent effects on molecular power generation","doi":"10.1073/pnas.2315472121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 9","description":"<p>Mutations at a highly conserved homologous residue in three closely related muscle myosins cause three distinct diseases involving muscle defects: R671C in β-cardiac myosin causes hypertrophic cardiomyopathy, R672C and R672H in embryonic skeletal myosin cause Freeman–Sheldon syndrome, and R674Q in perinatal skeletal myosin causes trismus-pseudocamptodactyly syndrome. It is not known whether their effects at the molecular level are similar to one another or correlate with disease phenotype and severity. To this end, we investigated the effects of the homologous mutations on key factors of molecular power production using recombinantly expressed human β, embryonic, and perinatal myosin subfragment-1. We found large effects in the developmental myosins but minimal effects in β myosin, and magnitude of changes correlated partially with clinical severity. The mutations in the developmental myosins dramatically decreased the step size and load-sensitive actin-detachment rate of single molecules measured by optical tweezers, in addition to decreasing overall enzymatic (ATPase) cycle rate. In contrast, the only measured effect of R671C in β myosin was a larger step size. Our measurements of step size and bound times predicted velocities consistent with those measured in an in vitro motility assay. Finally, molecular dynamics simulations predicted that the arginine to cysteine mutation in embryonic, but not β, myosin may reduce pre-powerstroke lever arm priming and ADP pocket opening, providing a possible structural mechanism consistent with the experimental observations. This paper presents direct comparisons of homologous mutations in several different myosin isoforms, whose divergent functional effects are a testament to myosin’s highly allosteric nature.<\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"9","journal_volume":"121","format":"Medium: X","authors":["Liu, Chao [Department of Biochemistry, Stanford University School of Medicine, Stanford, CA 94305, Stanford Cardiovascular Institute, Stanford University School of Medicine, Stanford, CA 94305, Biosciences and Biotechnology Division, Lawrence Livermore National Laboratory, Livermore, CA 94550] (ORCID:0000000300573397)","Karabina, Anastasia [BioFrontiers Institute, University of Colorado Boulder, Boulder, CO 80309, Department of Molecular, Cellular, and Developmental Biology, University of Colorado Boulder, Boulder, CO 80309, Kainomyx, Inc., Palo Alto, CA 94304] (ORCID:0000000303329883)","Meller, Artur [Department of Biochemistry and Biophysics, Washington University in St. Louis, St. Louis, MO 63110, Medical Scientist Training Program, Washington University in St. Louis, St. Louis, MO 63110] (ORCID:0000000255042684)","Bhattacharjee, Ayan [Department of Biochemistry and Biophysics, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA 19104]","Agostino, Colby J. [Department of Biochemistry and Biophysics, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA 19104] (ORCID:0000000218641848)","Bowman, Greg R. [Department of Biochemistry and Biophysics, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA 19104] (ORCID:0000000220834892)","Ruppel, Kathleen M. [Department of Biochemistry, Stanford University School of Medicine, Stanford, CA 94305, Stanford Cardiovascular Institute, Stanford University School of Medicine, Stanford, CA 94305, Kainomyx, Inc., Palo Alto, CA 94304]","Spudich, James A. [Department of Biochemistry, Stanford University School of Medicine, Stanford, CA 94305, Stanford Cardiovascular Institute, Stanford University School of Medicine, Stanford, CA 94305, Kainomyx, Inc., Palo Alto, CA 94304] (ORCID:0000000243244254)","Leinwand, Leslie A. [BioFrontiers Institute, University of Colorado Boulder, Boulder, CO 80309, Department of Molecular, Cellular, and Developmental Biology, University of Colorado Boulder, Boulder, CO 80309] (ORCID:0000000314704810)"],"article_type":"Published Article","doe_contract_number":"postdoc career fund","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2315472121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309805"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309805"}]}, {"osti_id":"2309785","title":"Influence of Cross Perturbations on Turbulent Kelvin–Helmholtz Instability","doi":"10.3390/fluids9030052","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Fluids Journal Volume: 9 Journal Issue: 3","description":"<p>Kelvin–Helmholtz instability has been studied extensively in 2D. This study attempts to address the influence of turbulent flow and cross perturbation on the growth rate of the instability and the development of mixing layers in 3D by means of direct numerical simulation. Two perfect gases are considered to be working fluids moving as opposite streams, inducing shear instability at the interface between the fluids and resulting in Kelvin–Helmholtz instability. The results show that cross perturbation affects the instability by increasing the amplitude growth while adding turbulence has almost no effect on the amplitude growth. Furthermore, by increasing the turbulence intensity, a more distinct presence of the inner flow can be seen in the mixing layer of the two phases, and the presence of turbulence expands the range of high-frequency motion significantly due to turbulence structures. The results give a basis for which 3D Kelvin–Helmholtz phenomena should be further investigated using numerical simulation for predictive modeling, beyond the use of simplified 2D theoretical models.<\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"MDPI AG","journal_name":"Fluids","journal_issue":"3","journal_volume":"9","format":"Medium: X; Size: Article No. 52","authors":["Sementilli, Mae (ORCID:0000000207125928)","Zangeneh, Rozie","Chen, James (ORCID:0000000255306029)"],"article_type":"Published Article","doe_contract_number":"NA0003961","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2311-5521","other_identifiers":["Journal ID: ISSN 2311-5521; FLUICM; PII: fluids9030052"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309785"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309785"}]}, {"osti_id":"2282358","title":"Highly efficient CO\n <sub>2<\/sub>\n electrochemical reduction on dual metal (Co–Ni)–nitrogen sites","report_number":"IS-J-11,252","doi":"10.1039/D3TA05654F","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 8","description":"The electrochemical reduction (ECR) of CO<sub>2<\/sub> is a promising approach for CO<sub>2<\/sub> removal and utilization, which is a critical component of the circular carbon economy. However, developing efficient and selective electrocatalysts is still challenging. Single-atom catalysts (SACs) have gained attention because they offer high metal atom utilization and uniform active sites. However, tuning the active metal centres to achieve high activity and selectivity in CO<sub>2<\/sub> reduction remains a significant challenge. This study presents a novel electrocatalyst (Co-Ni-N-C) for CO<sub>2<\/sub> ECR on the diatomic metal–nitrogen sites prepared through ion exchange using a zeolitic imidazolate framework (ZIF) as a precursor. During pyrolysis, nitrogen-doped graphitic carbon serves as the host material, anchoring the diatomic Co-Ni sites. The resulting bimetallic active sites demonstrate exceptional performance, achieving a high CO yield rate of 53.36 mA mg<sub>cat.<\/sub><sup>-1<\/sup> and an impressive CO faradaic efficiency of 94.1% at an overpotential of -0.27 V. Spectroscopic, microscopic, and density functional theory (DFT) analyses collectively unveil the crucial synergistic role of the Co-Ni-N<sub>6<\/sub> moiety in promoting and sustaining exceptional electrocatalytic activities. The successful utilization of bimetallic sites in enhancing catalyst performance highlights the potential of this approach in developing efficient electrocatalysts for various other reactions.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"8","journal_volume":"12","format":"Medium: X; Size: p. 4601-4609","authors":["Chen, Jianping [Department of Mechanical and Nuclear Engineering, Virginia Commonwealth University, Richmond, VA 23284, USA]","Ahasan, Md Robayet [Department of Metallurgical and Materials Engineering, The University of Alabama, Tuscaloosa, AL 35487, USA]","Oh, Jin-Su [Division of Materials Sciences and Engineering, Ames National Laboratory, Ames, IA 50011, USA] (ORCID:0000000274623142)","Tan, Jake A. [Department of Chemistry, Gottwald Center for the Sciences, University of Richmond, Richmond, VA 23173, USA] (ORCID:0000000181413891)","Hennessey, Stephen [Department of Chemistry, Virginia Commonwealth University, Richmond, VA 23284, USA]","Kaid, Mahmoud M. [Department of Chemistry, Virginia Commonwealth University, Richmond, VA 23284, USA]","El-Kaderi, Hani M. [Department of Chemistry, Virginia Commonwealth University, Richmond, VA 23284, USA] (ORCID:0000000187701544)","Zhou, Lin [Division of Materials Sciences and Engineering, Ames National Laboratory, Ames, IA 50011, USA, Department of Materials Science and Engineering, Iowa State University, Ames, IA, 50011, USA]","Lao, Ka Un [Department of Chemistry, Virginia Commonwealth University, Richmond, VA 23284, USA] (ORCID:000000023993536X)","Wang, Ruigang [Department of Metallurgical and Materials Engineering, The University of Alabama, Tuscaloosa, AL 35487, USA] (ORCID:0000000206787460)","Wang, Wei-Ning [Department of Mechanical and Nuclear Engineering, Virginia Commonwealth University, Richmond, VA 23284, USA] (ORCID:0000000219356301)"],"subjects":["36 MATERIALS SCIENCE"],"article_type":"Published Article","doe_contract_number":"BES-ERCAP0020838; AC02-05CH11231; AC02-07CH11358; CMMI-1727553; CBET-1856729; W911NF-23-1-0196","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"National Science Foundation (NSF)"},{"name":"USDOD"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","National Science Foundation (NSF)","USDOD"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"},{"name":"Iowa State Univ., Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)","Iowa State Univ., Ames, IA (United States)"],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282358"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282358"}]}, {"osti_id":"2282393","title":"Dominant nitrogen metabolisms of a warm, seasonally anoxic freshwater ecosystem revealed using genome resolved metatranscriptomics","doi":"10.1128/msystems.01059-23","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: mSystems Journal Volume: 9 Journal Issue: 2","description":"<p>In aquatic ecosystems where primary productivity is limited by nitrogen (N), whether continuously, seasonally, or in concert with additional nutrient limitations, increased inorganic N availability can reshape ecosystem structure and function, potentially resulting in eutrophication and even harmful algal blooms. Whereas microbial metabolic processes such as mineralization and dissimilatory nitrate reduction to ammonium increase inorganic N availability, denitrification removes bioavailable N from the ecosystem. Therefore, understanding these key microbial mechanisms is critical to the sustainable management and environmental stewardship of inland freshwater resources. This study identifies and characterizes these crucial metabolisms in a warm, seasonally anoxic ecosystem. Results are contextualized by an ecological understanding of the study system derived from a multi-year continuous monitoring effort. This unique data set is the first of its kind in this largely understudied ecosystem (tropical lakes) and also provides insight into microbiome function and associated taxa in warm, anoxic freshwaters.<\/p>","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"American Society for Microbiology","journal_name":"mSystems","journal_issue":"2","journal_volume":"9","format":"Medium: X","authors":["Fadum, J. M. [Graduate Degree Program in Ecology, Colorado State University, Fort Collins, Colorado, USA, Department of Ecosystem Science and Sustainability, Colorado State University, Fort Collins, Colorado, USA] (ORCID:0000000232064338)","Borton, M. A. [Department of Soil and Crop Sciences, Colorado State University, Fort Collins, Colorado, USA]","Daly, R. A. [Department of Soil and Crop Sciences, Colorado State University, Fort Collins, Colorado, USA]","Wrighton, K. C. [Graduate Degree Program in Ecology, Colorado State University, Fort Collins, Colorado, USA, Department of Soil and Crop Sciences, Colorado State University, Fort Collins, Colorado, USA]","Hall, E. K. [Graduate Degree Program in Ecology, Colorado State University, Fort Collins, Colorado, USA, Department of Ecosystem Science and Sustainability, Colorado State University, Fort Collins, Colorado, USA]","Newton, ed., Ryan J."],"article_type":"Published Article","doe_contract_number":"SC0021350, DE-SC0023084","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2379-5077","other_identifiers":["Journal ID: ISSN 2379-5077; e01059-23"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282393"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282393"}]}, {"osti_id":"2317793","title":"Study of Mechanical Properties, Microstructure, and Residual Stresses of AISI 304/304L Stainless Steel Submerged Arc Weld for Spent Fuel Dry Storage Systems","doi":"10.3390/met14030262","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Metals; Journal Volume: 14; Journal Issue: 3","description":"The confinement boundaries of spent nuclear fuel (SNF) canisters are typically fusion welded. Welded microstructures, strain hardening, and residual stresses combined with a chemically aggressive, chloride-rich environment led to concerns that the welded canister may be susceptible to chloride-induced stress corrosion cracking (CISCC). A comprehensive understanding of the modification of stainless steel (SS) metallurgical and mechanical properties by fusion welding could accelerate the predictive analysis of CISCC susceptibility. This paper describes a submerged arc welding (SAW) procedure that was developed and qualified on 12.7 mm (0.5 in.) thick AISI 304/304L SS to produce joints in a way similar to actual SNF canister manufacturing. This procedure has the potential to reduce the production cost and weld CISCC susceptibility by using fewer welding passes and lower heat input than current industrial applications. Global and local mechanical behaviors and properties, as well as residual stress distributions on the welded joint, were studied. The results indicate that hardness values in the fusion zone (FZ) and heat-affected zone (HAZ) are slightly higher than that of the base metal. Strain localization was presented in the HAZ before the tensile stress reached its maximum value, and then it shifted to the FZ. The specimen finally broke in the FZ. High tensile residual stresses exhibited in the FZ and the nearby HAZ suggest the highest CISCC-susceptible spots. The maximum tensile residual stresses were along the welding direction, indicating that if cracks occur, they would be perpendicular to the welding direction. This study involved developing and qualifying a SAW procedure for SNF canister production. The new procedure yielded cost savings (SAW working efficiency increased by about 80%), improved mechanical properties, and presented moderate residual stresses. Analysis revealed that the welded joint’s low-stress and high-stress damage assessments may be affected by shifts in the strain localization spot under loading.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"MDPI","journal_name":"Metals","journal_issue":"3","journal_volume":"14","format":"Medium: ED; Size: Article No. 262","authors":["Tang, Wei [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Chatzidakis, Stylianos [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Purdue Univ., West Lafayette, IN (United States)] (ORCID:000000031268000X)","Schrad, Caleb Matthew [Grace College, Winona Lake, IN (United States); Purdue Univ., West Lafayette, IN (United States)]","Miller, Roger G. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Howard, Robert [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Spectra Tech Inc., Oak Ridge, TN (United States)]"],"subjects":["12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES","42 ENGINEERING","spent nuclear fuel canister","submerged arc welding","procedure qualification","microstructure","mechanical properties","residual stress"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; SF-18OR02040801","orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE), Office of Spent Fuel and Waste Disposition"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE), Office of Spent Fuel and Waste Disposition"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2075-4701","other_identifiers":["Journal ID: ISSN 2075-4701"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317793"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2317793"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317793"}]}, {"osti_id":"2316093","title":"Geometry-complete perceptron networks for 3D molecular graphs","doi":"10.1093/bioinformatics/btae087","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Bioinformatics Journal Volume: 40 Journal Issue: 2","description":"<title>Abstract<\/title>\n <sec>\n <title>Motivation<\/title>\n <p>The field of geometric deep learning has recently had a profound impact on several scientific domains such as protein structure prediction and design, leading to methodological advancements within and outside of the realm of traditional machine learning. Within this spirit, in this work, we introduce GCPNet, a new chirality-aware SE(3)-equivariant graph neural network designed for representation learning of 3D biomolecular graphs. We show that GCPNet, unlike previous representation learning methods for 3D biomolecules, is widely applicable to a variety of invariant or equivariant node-level, edge-level, and graph-level tasks on biomolecular structures while being able to (1) learn important chiral properties of 3D molecules and (2) detect external force fields.<\/p>\n <\/sec>\n <sec>\n <title>Results<\/title>\n <p>Across four distinct molecular-geometric tasks, we demonstrate that GCPNet’s predictions (1) for protein–ligand binding affinity achieve a statistically significant correlation of 0.608, more than 5%, greater than current state-of-the-art methods; (2) for protein structure ranking achieve statistically significant target-local and dataset-global correlations of 0.616 and 0.871, respectively; (3) for Newtownian many-body systems modeling achieve a task-averaged mean squared error less than 0.01, more than 15% better than current methods; and (4) for molecular chirality recognition achieve a state-of-the-art prediction accuracy of 98.7%, better than any other machine learning method to date.<\/p>\n <\/sec>\n <sec>\n <title>Availability and implementation<\/title>\n <p>The source code, data, and instructions to train new models or reproduce our results are freely available at https://github.com/BioinfoMachineLearning/GCPNet.<\/p>\n <\/sec>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Oxford University Press","journal_name":"Bioinformatics","journal_issue":"2","journal_volume":"40","format":"Medium: X","authors":["Morehead, Alex (ORCID:0000000205866191)","Cheng, Jianlin (ORCID:0000000303052853)","Valencia, ed., Alfonso"],"article_type":"Published Article","doe_contract_number":"AR0001213; SC0020400; SC0021303","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1367-4803","other_identifiers":["Journal ID: ISSN 1367-4803; btae087"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316093"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316093"}]}, {"osti_id":"1973616","title":"The Atacama Cosmology Telescope: DR6 Gravitational Lensing Map and Cosmological Parameters","report_number":"FERMILAB-PUB-23-206-PPD; arXiv:2304.05203","doi":"10.3847/1538-4357/acff5f","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal; Journal Volume: 962; Journal Issue: 2","description":"We present cosmological constraints from a gravitational lensing mass map covering 9400 deg2 reconstructed from measurements of the cosmic microwave background (CMB) made by the Atacama Cosmology Telescope (ACT) from 2017 to 2021. In combination with measurements of baryon acoustic oscillations and big bang nucleosynthesis, we obtain the clustering amplitude σ8 = 0.819 ± 0.015 at 1.8% precision, S<sub>8<\/sub> ≡ σ<sub>8<\/sub>(Ω<sub>m<\/sub>/0.3)<sup>0.5<\/sup> = 0.840 ± 0.028, and the Hubble constant H<sub>0<\/sub> = (68.3 ± 1.1) km s<sup>-1<\/sup> Mpc<sup>-1<\/sup> at 1.6% precision. A joint constraint with Planck CMB lensing yields σ<sub>8<\/sub> = 0.812 ± 0.013, S<sub>8<\/sub> ≡ σ<sub>8<\/sub>(Ω<sub>m<\/sub>/0.3)<sup>0.5<\/sup> = 0.831 ± 0.023 , and H0 = (68.1 ± 1.0) km s<sup>-1<\/sup> Mpc<sup>-1<\/sup>. These measurements agree with ΛCDM extrapolations from the CMB anisotropies measured by Planck. We revisit constraints from the KiDS, DES, and HSC galaxy surveys with a uniform set of assumptions and find that S8 from all three are lower than that from ACT+Planck lensing by levels ranging from 1.7σ to 2.1σ. This motivates further measurements and comparison, not just between the CMB anisotropies and galaxy lensing but also between CMB lensing probing z ~ 0.5–5 on mostly linear scales and galaxy lensing at z 0.5 on smaller scales. We combine with CMB anisotropies to constrain extensions of ΛCDM, limiting neutrino masses to Σm<sub>ν<\/sub> < 0.13 eV (95% c.l.), for example. We describe the mass map and related data products that will enable a wide array of cross-correlation science. Our results provide independent confirmation that the universe is spatially flat, conforms with general relativity, and is described remarkably well by the ΛCDM model, while paving a promising path for neutrino physics with lensing from upcoming ground-based CMB surveys.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"IOP Publishing","journal_name":"The Astrophysical Journal","journal_issue":"2","journal_volume":"962","format":"Medium: ED; Size: Article No. 113","authors":["Madhavacheril, Mathew S. [University of Pennsylvania, Philadelphia, PA (United States); Perimeter Institute for Theoretical Physics, Waterloo (Canada); et al.] (ORCID:0000000167405350)","Qu, Frank J.","Sherwin, Blake D.","MacCrann, Niall","Li, Yaqiong","Abril-Cabezas, Irene","Ade, Peter R.","Aiola, Simone","Alford, Tommy","Amiri, Mandana","Amodeo, Stefania","An, Rui","Atkins, Zachary","Austermann, Jason E.","Battaglia, Nicholas","Battistelli, Elia Stefano","Beall, James A.","Bean, Rachel","Beringue, Benjamin","Bhandarkar, Tanay","Biermann, Emily","Bolliet, Boris","Bond, J. Richard","Cai, Hongbo","Calabrese, Erminia","Calafut, Victoria","Capalbo, Valentina","Carrero, Felipe","Challinor, Anthony","Chesmore, Grace E.","Cho, Hsiao-mei","Choi, Steve K.","Clark, Susan E.","Córdova Rosado, Rodrigo","Cothard, Nicholas F.","Coughlin, Kevin","Coulton, William","Crowley, Kevin T.","Dalal, Roohi","Darwish, Omar","Devlin, Mark J.","Dicker, Simon","Doze, Peter (ORCID:0000000224080813)","Duell, Cody J.","Duff, Shannon M.","Duivenvoorden, Adriaan J.","Dunkley, Jo","Dünner, Rolando","Fanfani, Valentina","Fankhanel, Max","Farren, Gerrit","Ferraro, Simone","Freundt, Rodrigo","Fuzia, Brittany","Gallardo, Patricio A.","Garrido, Xavier","Givans, Jahmour","Gluscevic, Vera","Golec, Joseph E.","Guan, Yilun","Hall, Kirsten R. (ORCID:000000024176845X)","Halpern, Mark","Han, Dongwon","Harrison, Ian","Hasselfield, Matthew","Healy, Erin","Henderson, Shawn","Hensley, Brandon","Hervías-Caimapo, Carlos","Hill, J. Colin","Hilton, Gene C.","Hilton, Matt (ORCID:0000000284908117)","Hincks, Adam D.","Hložek, Renée","Ho, Shuay-Pwu Patty","Huber, Zachary B.","Hubmayr, Johannes","Huffenberger, Kevin M.","Hughes, John P.","Irwin, Kent","Isopi, Giovanni","Jense, Hidde T.","Keller, Ben","Kim, Joshua","Knowles, Kenda (ORCID:0000000284520825)","Koopman, Brian J.","Kosowsky, Arthur","Kramer, Darby","Kusiak, Aleksandra","La Posta, Adrien","Lague, Alex","Lakey, Victoria","Lee, Eunseong","Li, Zack","Limon, Michele","Lokken, Martine","Louis, Thibaut","Lungu, Marius","MacInnis, Amanda","Maldonado, Diego","Maldonado, Felipe","Mallaby-Kay, Maya","Marques, Gabriela A.","McMahon, Jeff","Mehta, Yogesh","Menanteau, Felipe","Moodley, Kavilan (ORCID:0000000166067142)","Morris, Thomas W.","Mroczkowski, Tony (ORCID:0000000338165372)","Naess, Sigurd","Namikawa, Toshiya","Nati, Federico","Newburgh, Laura","Nicola, Andrina","Niemack, Michael D.","Nolta, Michael R.","Orlowski-Scherer, John","Page, Lyman A.","Pandey, Shivam","Partridge, Bruce","Prince, Heather","Puddu, Roberto","Radiconi, Federico","Robertson, Naomi","Rojas, Felipe","Sakuma, Tai","Salatino, Maria","Schaan, Emmanuel","Schmitt, Benjamin L.","Sehgal, Neelima","Shaikh, Shabbir","Sierra, Carlos","Sievers, Jon","Sifón, Cristóbal","Simon, Sara","Sonka, Rita","Spergel, David N. (ORCID:0000000251510006)","Staggs, Suzanne T.","Storer, Emilie","Switzer, Eric R.","Tampier, Niklas","Thornton, Robert","Trac, Hy","Treu, Jesse","Tucker, Carole","Ullom, Joel","Vale, Leila R.","Van Engelen, Alexander","Van Lanen, Jeff","van Marrewijk, Joshiwa","Vargas, Cristian","Vavagiakis, Eve M.","Wagoner, Kasey","Wang, Yuhan","Wenzl, Lukas","Wollack, Edward J. (ORCID:0000000275674451)","Xu, Zhilei","Zago, Fernando","Zheng, Kaiwen"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","79 ASTRONOMY AND ASTROPHYSICS","cosmology","observational cosmology","cosmic microwave background radiation","large scale structure of the universe","cosmological neutrinos","particle astrophysics"],"article_type":"Accepted Manuscript","contributing_org":"ACT","doe_contract_number":"AC02-07CH11359; NNX13AE56G; NNX14AB58G; AC02- 05CH11231; 21- ATP21-0145","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"},{"name":"National Science Foundation (NSF)"},{"name":"National Aeronautics and Space Administration (NASA)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)","National Science Foundation (NSF)","National Aeronautics and Space Administration (NASA)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"},{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"},{"name":"SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)","Brookhaven National Laboratory (BNL), Upton, NY (United States)","SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X; oai:inspirehep.net:2650496"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/1973616"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/1973616"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/1973616"}]}, {"osti_id":"2323279","title":"Is La<sub>3<\/sub>Ni<sub>2<\/sub>O<sub>6.5<\/sub> a Bulk Superconducting Nickelate?","report_number":"IS-J-11,285","doi":"10.1021/acsami.3c17376","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Applied Materials and Interfaces","description":"Superconducting states onsetting at moderately high temperatures have been observed in epitaxially stabilized RENiO<sub>2<\/sub>-based thin films. However, recently, it has also been reported that superconductivity at high temperatures is observed in bulk La<sub>3<\/sub>Ni<sub>2<\/sub>O<sub>7-δ<\/sub> at high pressure, opening further possibilities for study. Here we report the reduction profile of La<sub>3<\/sub>Ni<sub>2<\/sub>O<sub>7<\/sub> in a stream of 5% H<sub>2<\/sub>/Ar gas and the isolation of the metastable intermediate phase La<sub>3<\/sub>Ni<sub>2<\/sub>O<sub>6.45<\/sub>, which is based on Ni<sup>2+<\/sup>. In conclusion, although this reduced phase does not superconduct at ambient or high pressures, it offers insights into the Ni-327 system and encourages future study of nickelates as a function of oxygen content.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"ACS Applied Materials and Interfaces","format":"Medium: ED","authors":["Gao, Ran [Princeton Univ., NJ (United States)]","Jin, Lun [Princeton Univ., NJ (United States)] (ORCID:0000000269495203)","Huyan, Shuyuan [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)]","Ni, Danrui [Princeton Univ., NJ (United States)] (ORCID:0000000169161281)","Wang, Haozhe [Michigan State Univ., East Lansing, MI (United States)] (ORCID:000000034820833X)","Xu, Xianghan [Princeton Univ., NJ (United States)] (ORCID:000000016854300X)","Bud’ko, Sergey L. [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)]","Canfield, Paul [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)]","Xie, Weiwei [Michigan State Univ., East Lansing, MI (United States)] (ORCID:0000000255008195)","Cava, Robert J. [Princeton Univ., NJ (United States)]"],"subjects":["36 MATERIALS SCIENCE","High pressure","nickelates","superconductivity"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358; FG02-98ER45706; SC0023648","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"},{"name":"Princeton Univ., NJ (United States)"},{"name":"Michigan State Univ., East Lansing, MI (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)","Princeton Univ., NJ (United States)","Michigan State Univ., East Lansing, MI (United States)"],"journal_issn":"ISSN 1944-8244","other_identifiers":["Journal ID: ISSN 1944-8244"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323279"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323279"}]}, {"osti_id":"1973421","title":"The Atacama Cosmology Telescope: A Measurement of the DR6 CMB Lensing Power Spectrum and Its Implications for Structure Growth","report_number":"FERMILAB-PUB-23-237-PPD; arXiv:2304.05202","doi":"10.3847/1538-4357/acfe06","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal; Journal Volume: 962; Journal Issue: 2","description":"We present new measurements of cosmic microwave background (CMB) lensing over 9400 deg of the sky. These lensing measurements are derived from the Atacama Cosmology Telescope (ACT) Data Release 6 (DR6) CMB data set, which consists of five seasons of ACT CMB temperature and polarization observations. We determine the amplitude of the CMB lensing power spectrum at 2.3% precision (43σ significance) using a novel pipeline that minimizes sensitivity to foregrounds and to noise properties. To ensure that our results are robust, we analyze an extensive set of null tests, consistency tests, and systematic error estimates and employ a blinded analysis framework. Our CMB lensing power spectrum measurement provides constraints on the amplitude of cosmic structure that do not depend on Planck or galaxy survey data, thus giving independent information about large-scale structure growth and potential tensions in structure measurements. The baseline spectrum is well fit by a lensing amplitude of A<sub>lens<\/sub> = 1.013 ± 0.023 relative to the Planck 2018 CMB power spectra best-fit ΛCDM model and A<sub>lens<\/sub> = 1.005 ± 0.023 relative to the ACT DR4 + WMAP best-fit model. From our lensing power spectrum measurement, we derive constraints on the parameter combination $S^{CMBL}_{8}$ ≡ σ<sub>8<\/sub>(Ω<sub>m<\/sub>/0.3)<sup>0.25<\/sup> of $S^{CMBL}_{8}$ = 0.818 ± 0.022 from ACT DR6 CMB lensing alone and $S^{CMBL}_{8}$ = 0.813 ± 0.018 when combining ACT DR6 and Planck NPIPE CMB lensing power spectra. These results are in excellent agreement with ΛCDM model constraints from Planck or ACT DR4 + WMAP CMB power spectrum measurements. Our lensing measurements from redshifts z ~ 0.5–5 are thus fully consistent with ΛCDM structure growth predictions based on CMB anisotropies probing primarily z ~ 1100. We find no evidence for a suppression of the amplitude of cosmic structure at low redshifts.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"IOP Publishing","journal_name":"The Astrophysical Journal","journal_issue":"2","journal_volume":"962","format":"Medium: ED; Size: Article No. 112","authors":["Qu, Frank J. [University of Cambridge (United Kingdom); Kavli Institute for Cosmology Cambridge (United Kingdom); et al.]","Sherwin, Blake D.","Madhavacheril, Mathew S. (ORCID:0000000167405350)","Han, Dongwon","Crowley, Kevin T.","Abril-Cabezas, Irene (ORCID:0000000332304589)","Ade, Peter R.","Aiola, Simone (ORCID:0000000210351854)","Alford, Tommy","Amiri, Mandana","Amodeo, Stefania","An, Rui","Atkins, Zachary","Austermann, Jason E. (ORCID:0000000263380069)","Battaglia, Nicholas (ORCID:0000000158460411)","Battistelli, Elia Stefano (ORCID:0000000152107625)","Beall, James A.","Bean, Rachel","Beringue, Benjamin","Bhandarkar, Tanay (ORCID:0000000229711776)","Biermann, Emily","Bolliet, Boris","Bond, J. Richard","Cai, Hongbo","Calabrese, Erminia","Calafut, Victoria","Capalbo, Valentina","Carrero, Felipe","Carron, Julien","Challinor, Anthony","Chesmore, Grace E.","Cho, Hsiao-mei","Choi, Steve K. (ORCID:0000000291137058)","Clark, Susan E. (ORCID:0000000276333376)","Córdova Rosado, Rodrigo","Cothard, Nicholas F.","Coughlin, Kevin","Coulton, William (ORCID:0000000212973673)","Dalal, Roohi","Darwish, Omar","Devlin, Mark J.","Dicker, Simon (ORCID:0000000219404289)","Doze, Peter (ORCID:0000000224080813)","Duell, Cody J.","Duff, Shannon M.","Duivenvoorden, Adriaan J. (ORCID:0000000328562382)","Dunkley, Jo (ORCID:0000000274502586)","Dünner, Rolando (ORCID:0000000338921860)","Fanfani, Valentina","Fankhanel, Max","Farren, Gerrit (ORCID:0000000157041127)","Ferraro, Simone","Freundt, Rodrigo","Fuzia, Brittany","Gallardo, Patricio A.","Garrido, Xavier","Gluscevic, Vera","Golec, Joseph E.","Guan, Yilun (ORCID:0000000216973080)","Halpern, Mark (ORCID:0000000217600868)","Harrison, Ian","Hasselfield, Matthew","Healy, Erin","Henderson, Shawn","Hensley, Brandon (ORCID:0000000174494638)","Hervías-Caimapo, Carlos","Hill, J. Colin","Hilton, Gene C.","Hilton, Matt (ORCID:0000000284908117)","Hincks, Adam D. (ORCID:0000000316906678)","Hložek, Renée","Ho, Shuay-Pwu Patty","Huber, Zachary B.","Hubmayr, Johannes","Huffenberger, Kevin M. (ORCID:0000000171090099)","Hughes, John P. (ORCID:0000000288166800)","Irwin, Kent","Isopi, Giovanni (ORCID:0000000284580588)","Jense, Hidde T.","Keller, Ben","Kim, Joshua","Knowles, Kenda (ORCID:0000000284520825)","Koopman, Brian J.","Kosowsky, Arthur (ORCID:000000023734331X)","Kramer, Darby","Kusiak, Aleksandra","La Posta, Adrien","Lague, Alex","Lakey, Victoria","Lee, Eunseong","Li, Zack","Li, Yaqiong","Limon, Michele","Lokken, Martine","Louis, Thibaut","Lungu, Marius","MacCrann, Niall","MacInnis, Amanda","Maldonado, Diego","Maldonado, Felipe","Mallaby-Kay, Maya","Marques, Gabriela A.","McMahon, Jeff","Mehta, Yogesh","Menanteau, Felipe (ORCID:0000000213722534)","Moodley, Kavilan (ORCID:0000000166067142)","Morris, Thomas W.","Mroczkowski, Tony (ORCID:0000000338165372)","Naess, Sigurd (ORCID:0000000244787111)","Namikawa, Toshiya","Nati, Federico","Newburgh, Laura","Nicola, Andrina","Niemack, Michael D.","Nolta, Michael R.","Orlowski-Scherer, John (ORCID:0000000318428104)","Page, Lyman A. (ORCID:0000000298283525)","Pandey, Shivam","Partridge, Bruce","Prince, Heather","Puddu, Roberto","Radiconi, Federico","Robertson, Naomi","Rojas, Felipe","Sakuma, Tai","Salatino, Maria","Schaan, Emmanuel (ORCID:0000000246198927)","Schmitt, Benjamin L.","Sehgal, Neelima (ORCID:0000000296744527)","Shaikh, Shabbir","Sierra, Carlos","Sievers, Jon","Sifón, Cristóbal","Simon, Sara","Sonka, Rita","Spergel, David N. (ORCID:0000000251510006)","Staggs, Suzanne T.","Storer, Emilie","Switzer, Eric R.","Tampier, Niklas","Thornton, Robert","Trac, Hy","Treu, Jesse","Tucker, Carole","Ullom, Joel","Vale, Leila R.","Van Engelen, Alexander","Van Lanen, Jeff","van Marrewijk, Joshiwa","Vargas, Cristian","Vavagiakis, Eve M.","Wagoner, Kasey","Wang, Yuhan","Wenzl, Lukas (ORCID:0000000152452058)","Wollack, Edward J. (ORCID:0000000275674451)","Xu, Zhilei (ORCID:0000000151122567)","Zago, Fernando","Zheng, Kaiwen"],"subjects":["79 ASTRONOMY AND ASTROPHYSICS","cosmological parameters","cosmological parameters from large scale structures"],"article_type":"Accepted Manuscript","contributing_org":"ACT","doe_contract_number":"AC02-07CH11359; SC00233966; NNX13AE56G; NNX14AB58G; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"},{"name":"National Aeronautics and Space Administration (NASA)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)","National Aeronautics and Space Administration (NASA)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"},{"name":"SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)","SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)"],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X; oai:inspirehep.net:2650570"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/1973421"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/1973421"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/1973421"}]}, {"osti_id":"2317753","title":"<sup>40<\/sup>Ca transverse response function from coupled-cluster theory","doi":"10.1103/physrevc.109.025502","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. C; Journal Volume: 109; Journal Issue: 2","description":"Here, we present calculations of the <sup>40<\/sup>Ca transverse response function obtained from coupled-cluster theory used in conjunction with the Lorentz integral transform method. We employ nuclear forces derived at next-to-next-to leading order in chiral effective field theory with and without Δ degrees of freedom. We first benchmark this approach on the <sup>4<\/sup>He nucleus and compare both the transverse sum rule and the response function to earlier calculations based on different methods. As expected from the power counting of the chiral expansion of electromagnetic currents and from previous studies, our results retaining only one-body term underestimate the experimental data for <sup>4<\/sup>He by about 20%. However, when the method is applied to <sup>40<\/sup>Ca at the same order of the expansion, response functions do not lack strength and agree well with the world electron scattering data. We discuss various sources of theoretical uncertainties and comment on the comparison of our results with the available experiments.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. C","journal_issue":"2","journal_volume":"109","format":"Medium: ED; Size: Article No. 025502","authors":["Sobczyk, Joanna E. [Johannes Gutenberg Univ., Mainz (Germany)] (ORCID:0000000346989339)","Acharya, Bijaya [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Johannes Gutenberg Univ., Mainz (Germany)] (ORCID:000000031192093X)","Bacca, Sonia [Johannes Gutenberg Univ., Mainz (Germany)] (ORCID:0000000291899458)","Hagen, Gaute [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)] (ORCID:0000000160191687)"],"subjects":["electroweak interactions in nuclear physics","nuclear many-body theory","39 ≤ A ≤ 58","A ≤ 5","many-body techniques"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; AC02-07CH11359; SC0018223","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)"},{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)","USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2469-9985","other_identifiers":["Journal ID: ISSN 2469-9985"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317753"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317753"}]}, {"osti_id":"2311068","title":"Acoustoelastic characterization of plates using zero group velocity Lamb modes","report_number":"LLNL-JRNL-856256","doi":"10.1063/5.0183620","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Physics Letters; Journal Volume: 124; Journal Issue: 8","description":"Acoustoelasticity, a characteristic of material anharmonicity, gives rise to a link between wave propagation velocity and the stress state in materials. Ultrasonic techniques to monitor this coupling, particularly with high sensitivity and in a noncontact manner, can have widespread application both in the quantification of applied and residual stress and in the characterization of nonlinear material behavior through measurement of higher order elastic constants. Here, we use a laser ultrasonic technique to excite and detect zero group velocity (ZGV) Lamb wave resonances in aluminum plates under uniaxial loading. A laser line source is used to excite these resonances at different orientations with respect to the applied load, and the signals are detected using an interferometer. The effects of stress and source orientation on ZGV resonance frequencies are validated using the theory of acoustoelastic Lamb wave propagation. In addition, a model-based inversion technique is used to extract Murnaghan\'s third-order elastic constants from measurements of the stress dependence of the first two ZGV modes generated parallel and perpendicular to the applied load. Laser generation and detection of ZGV resonances is shown to be an effective and powerful approach for the noncontact and nondestructive acoustoelastic characterization of elastic waveguides.","availability":"External Audience (Unlimited)","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Applied Physics Letters","journal_issue":"8","journal_volume":"124","format":"Medium: ED; Size: Article No. 084101","authors":["Morales, Rosa E. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000327560895)","Pathak, Niket [Univ. of Colorado, Boulder, CO (United States)] (ORCID:0009000125282732)","Lum, Jordan S. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000275492762)","Kube, Christopher M. [Pennsylvania State Univ., University Park, PA (United States)] (ORCID:0000000218347040)","Murray, Todd W. [Univ. of Colorado, Boulder, CO (United States)] (ORCID:0000000169030601)","Stobbe, David M. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:000000026983042X)"],"subjects":["36 MATERIALS SCIENCE","Lamb waves","stress measurement","interferometry","material elastic constants","laser ultrasonics","materials analysis"],"article_type":"Accepted Manuscript","doe_contract_number":"AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 0003-6951","other_identifiers":["Journal ID: ISSN 0003-6951; 1084834"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311068"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2311068"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311068"}]}, {"osti_id":"2309777","title":"Long‐range quantum energy teleportation and distribution on a hyperbolic quantum network","doi":"10.1049/qtc2.12090","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: IET Quantum Communication","description":"<title>Abstract<\/title>\n <p>Teleporting energy to remote locations is new challenge for quantum information science and technology. Developing a method for transferring local energy in laboratory systems to remote locations will enable non‐trivial energy flows in quantum networks. From the perspective of quantum information engineering, we propose a method for distributing local energy to a large number of remote nodes using hyperbolic geometry. Hyperbolic networks are suitable for energy allocation in large quantum networks since the number of nodes grows exponentially. To realise long‐range quantum energy teleportation (QET), we propose a hybrid method of quantum state telepotation and QET. By transmitting local quantum information through quantum teleportation and performing conditional operations on that information, QET can theoretically be realized independent of geographical distance. The method we present will provide new insights into new applications of future large‐scale quantum networks and potential applications of quantum physics to information engineering.<\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"Institution of Engineering and Technology (IET)","journal_name":"IET Quantum Communication","format":"Medium: X","authors":["Ikeda, Kazuki [Co‐design Center for Quantum Advantage Stony Brook University Stony Brook New York USA, Department of Physics and Astronomy Center for Nuclear Theory Stony Brook University Stony Brook New York USA] (ORCID:0000000338212669)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2632-8925","other_identifiers":["Journal ID: ISSN 2632-8925; qtc2.12090"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309777"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309777"}]}, {"osti_id":"2320327","title":"On CCN Effects upon Convective Cold Pool Timing and Features","doi":"10.1175/MWR-D-23-0154.1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Monthly Weather Review Journal Volume: 152 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Cold pools produced by deep convection can initiate new convection, and their representation in larger-scale weather and climate models could improve prediction of the extent and timing of upscale growth. Cold pools originate from latent cooling from precipitation changing phase, but little attention has been paid to microphysical influences on cold pool characteristics, particularly CCN effects. Datasets obtained from the CACTI and RELAMPAGO field campaigns, along with idealized numerical modeling, are utilized to investigate the hypothesis that convective storms forming in higher-CCN environments generate their first surface rainfall later, delaying cold pool initiation. Aircraft observations of CCN and shallow convection on 9 days do suggest a CCN effect. Those ingesting more CCN contained fewer drizzle drops, although a decreased cloud depth with increasing CCN was also likely a limiting factor. In three of those cases that later developed into deep convection, the timing of cold pool onset was not ubiquitously delayed in environments with more CCN. Idealized numerical simulations suggest that an ordinary thunderstorm can experience small delays in cold pool onset with increasing CCN due to changes in graupel production, but CCN effects on the cold pool from a supercell thunderstorm can be easily overpowered by its unique dynamics. A strong inverse relationship between cold pool strength, expansion rate, and depth with increasing CCN is suggested by the results of the ordinary thunderstorm simulation. Further consideration of CCN appears warranted for future cold pool parameterization development, but other environmental factors affecting storm morphology and precipitation cannot be ignored.<\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"American Meteorological Society","journal_name":"Monthly Weather Review","journal_issue":"3","journal_volume":"152","format":"Medium: X; Size: p. 891-906","authors":["Ross, Tobias I. D. [a University of Illinois Urbana–Champaign, Urbana, Illinois]","Lasher-Trapp, Sonia [a University of Illinois Urbana–Champaign, Urbana, Illinois] (ORCID:0000000258161363)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-0644","other_identifiers":["Journal ID: ISSN 0027-0644"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320327"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320327"}]}, {"osti_id":"2293624","title":"Beyond PCA: Additional Dimension Reduction Techniques to Consider in the Development of Climate Fingerprints","doi":"10.1175/JCLI-D-23-0267.1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Climate Journal Volume: 37 Journal Issue: 5","description":"<title>Abstract<\/title>\n <p>\n Dimension reduction techniques are an essential part of the climate analyst’s toolkit. Due to the enormous scale of climate data, dimension reduction methods are used to identify major patterns of variability within climate dynamics, to create compelling and informative visualizations, and to quantify major named modes such as El Niño–Southern Oscillation. Principal components analysis (PCA), also known as the method of empirical orthogonal functions (EOFs), is the most commonly used form of dimension reduction, characterized by a remarkable confluence of attractive mathematical, statistical, and computational properties. Despite its ubiquity, PCA suffers from several difficulties relevant to climate science: high computational burden with large datasets, decreased statistical accuracy in high dimensions, and difficulties comparing\n <italic>across<\/italic>\n multiple datasets. In this paper, we introduce several variants of PCA that are likely to be of use in climate sciences and address these problems. Specifically, we introduce\n <italic>non-negative<\/italic>\n ,\n <italic>sparse<\/italic>\n , and\n <italic>tensor<\/italic>\n PCA and demonstrate how each approach provides superior pattern recognition in climate data. We also discuss approaches to comparing PCA-family results within and across datasets in a domain-relevant manner. We demonstrate these approaches through an analysis of several runs of the E3SM climate model from 1991 to 1995, focusing on the simulated response to the Mt. Pinatubo eruption; our findings are consistent with a recently identified stratospheric warming fingerprint associated with this type of stratospheric aerosol injection.\n <\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Meteorological Society","journal_name":"Journal of Climate","journal_issue":"5","journal_volume":"37","format":"Medium: X; Size: p. 1723-1735","authors":["Weylandt, Michael [a Department of Statistical Sciences, Sandia National Laboratories, Albuquerque, New Mexico] (ORCID:0000000209503881)","Swiler, Laura P. [b Center for Computing Research, Sandia National Laboratories, Albuquerque, New Mexico]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0894-8755","other_identifiers":["Journal ID: ISSN 0894-8755"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293624"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293624"}]}, {"osti_id":"2318749","title":"From individual leaves to forest stands: importance of niche, distance decay, and stochasticity vary by ecosystem type and functional group for fungal community composition","doi":"10.1093/femsec/fiae016","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: FEMS Microbiology Ecology (Online) Journal Volume: 100 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Community assembly is influenced by environmental niche processes as well as stochastic processes that can be spatially dependent (e.g. dispersal limitation) or independent (e.g. priority effects). Here, we sampled senesced tree leaves as unit habitats to investigate fungal community assembly at two spatial scales: (i) small neighborhoods of overlapping leaves from differing tree species and (ii) forest stands of differing ecosystem types. Among forest stands, ecosystem type explained the most variation in community composition. Among adjacent leaves within stands, variability in fungal composition was surprisingly high. Leaf type was more important in stands with high soil fertility and dominated by differing tree mycorrhizal types (sugar maple vs. basswood or red oak), whereas distance decay was more important in oak-dominated forest stands with low soil fertility. Abundance of functional groups was explained by environmental factors, but predictors of taxonomic composition within differing functional groups were highly variable. These results suggest that fungal community assembly processes are clearest for functional group abundances and large spatial scales. Understanding fungal community assembly at smaller spatial scales will benefit from further study focusing on differences in drivers for different ecosystems and functional groups, as well as the importance of spatially independent factors such as priority effects.<\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Oxford University Press","journal_name":"FEMS Microbiology Ecology (Online)","journal_issue":"3","journal_volume":"100","format":"Medium: X","authors":["Gacura, Matthew D. (ORCID:0000000334370483)","Zak, Donald R.","Blackwood, Christopher B."],"article_type":"Published Article","doe_contract_number":"SC0004335","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1574-6941","other_identifiers":["Journal ID: ISSN 1574-6941; fiae016"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318749"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318749"}]}, {"osti_id":"2308870","title":"Cooperative control of a DNA origami force sensor","doi":"10.1038/s41598-024-53841-3","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Scientific Reports Journal Volume: 14 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Biomolecular systems are dependent on a complex interplay of forces. Modern force spectroscopy techniques provide means of interrogating these forces, but they are not optimized for studies in constrained environments as they require attachment to micron-scale probes such as beads or cantilevers. Nanomechanical devices are a promising alternative, but this requires versatile designs that can be tuned to respond to a wide range of forces. We investigate the properties of a nanoscale force sensitive DNA origami device which is highly customizable in geometry, functionalization, and mechanical properties. The device, referred to as the NanoDyn, has a binary (open or closed) response to an applied force by undergoing a reversible structural transition. The transition force is tuned with minor alterations of 1 to 3 DNA oligonucleotides and spans tens of picoNewtons (pN). The DNA oligonucleotide design parameters also strongly influence the efficiency of resetting the initial state, with higher stability devices (≳10 pN) resetting more reliably during repeated force-loading cycles. Finally, we show the opening force is tunable in real time by adding a single DNA oligonucleotide. These results establish the potential of the NanoDyn as a versatile force sensor and provide fundamental insights into how design parameters modulate mechanical and dynamic properties.<\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: X","authors":["Robbins, Ariel","Hildebolt, Hazen","Neuhoff, Michael","Beshay, Peter","Winter, Jessica O.","Castro, Carlos E.","Bundschuh, Ralf","Poirier, Michael G."],"article_type":"Published Article","doe_contract_number":"DESC0017270; CCMI1921881; DMR1719316","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; 4132; PII: 53841"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308870"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308870"}]}, {"osti_id":"2308871","title":"Sensitivity of modelled passive margin stratigraphy to variations in sea level, sediment supply and subsidence","doi":"10.1111/bre.12854","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Basin Research Journal Volume: 36 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>We produced a 10 Myr synthetic stratigraphic section using a forward stratigraphic model that generates marine deltaic stratigraphy over geological timescales. We recursively fit the model using a Bayesian inversion algorithm to test: (1) if it could be accurately reconstructed; (2) if the parameters used to create it could be recovered; and (3) the sensitivity of the model output to given model parameters and the attendant physical processes. The original synthetic stratigraphic section was produced with cyclical sea‐level variations of 40 and 30 m with 2.4 and 10 Myr periods respectively. Sediment was also supplied cyclically, in 2.4 and 10 Myr cycles with amplitudes of 30 and 80 tons/100 kyr, respectively, varying from a mean of 232 tons/100 kyr. Parameter values were sampled to fit the model using a Markov chain Monte Carlo algorithm, resulting in a ±5 m (1σ) variation between the experimental output and the original. Sea level varied by ±7 m (1σ) within the posterior distribution of parameters. As a result, both the 10 Myr and 2.4 Myr sea‐level cycles could be extracted from the original output. The variation in sediment supply was approximately ±38 tons/100 kyr (1σ) and, as a result, only the larger long‐term supply variations could be accurately recovered in refitting the model. The variation in thermal, flexural and total subsidence across those parameter sets is less than ±10 m (1σ). The original section experienced 150 m of total subsidence at the depocentre. Our results demonstrate the distinct and interpretable imprint of sea level and subsidence on continental margin stratigraphy can be quantified. Moreover, we conclude that sea‐level change produces a defined effect on the geometries of stratigraphic architecture, and that techniques applied for the purpose of delineating sea‐level variation from continental margin strata have a well‐founded conceptual basis.<\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"Basin Research","journal_issue":"1","journal_volume":"36","format":"Medium: X","authors":["Schmelz, William J. [Department of Earth and Planetary Sciences Rutgers University Piscataway New Jersey USA] (ORCID:0000000225887985)","Miller, Kenneth G. [Department of Earth and Planetary Sciences Rutgers University Piscataway New Jersey USA]","Mountain, Gregory S. [Department of Earth and Planetary Sciences Rutgers University Piscataway New Jersey USA]","Steckler, Michael S. [Lamont‐Doherty Earth Observatory of Columbia University Palisades New York USA]","Browning, James V. [Department of Earth and Planetary Sciences Rutgers University Piscataway New Jersey USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0950-091X","other_identifiers":["Journal ID: ISSN 0950-091X; e12854"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308871"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308871"}]}, {"osti_id":"2311074","title":"Repulsive Tomonaga-Luttinger liquid in the quasi-one-dimensional alternating spin-$\\frac{1}{2}$ antiferromagnet NaVOPO<sub>4<\/sub>","report_number":"IS-J-11,271","doi":"10.1103/physrevb.109.l060406","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 6","description":"Here, we probe the magnetic field-induced Tomonaga-Luttinger liquid (TLL) state in the bond-alternating spin1/2 antiferromagnetic (AFM) chain compound NaVOPO<sub>4<\/sub> using thermodynamic as well as local μSR and <sup>31<\/sup>P NMR probes down to mK temperatures in magnetic fields up to 14 T. The μSR and NMR relaxation rates in the gapless TLL regime decay slowly following characteristic power-law behavior, enabling us to directly determine the interaction parameter K as a function of the magnetic field. These estimates are crosschecked using magnetization and specific heat data. The field-dependent K lies in the range of 0.4 < K < 1 and indicates the repulsive nature of interactions between the spinless fermions, in line with the theoretical predictions. This renders NaVOPO<sub>4<\/sub> the first experimental realization of TLL with repulsive fermionic interactions in hitherto studied S = 1/2 bond-alternating AFM-AFM chain compounds.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"6","journal_volume":"109","format":"Medium: ED; Size: Article No. L060406","authors":["Islam, S. S. [Indian Inst. of Science Education and Research, Thiruvananthapuram (India)]","Mukharjee, Prashanta K. [Indian Inst. of Science Education and Research, Thiruvananthapuram (India)]","Biswas, P. K. [Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab., ISIS Neutron Source]","Telling, Mark [Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab., ISIS Neutron Source]","Skourski, Y. [Helmholtz-Zentrum Dresden-Rossendorf (HZDR) (Germany). Dresden High Magnetic Field Lab. (HLD-EMFL)]","Ranjith, K. M. [Max Planck Inst. for Chemical Physics of Solids, Dresden (Germany)]","Baenitz, Michael [Max Planck Inst. for Chemical Physics of Solids, Dresden (Germany)] (ORCID:0000000187420195)","Inagaki, Y. [Kyushu Univ., Fukuoka (Japan); Ames Lab., and Iowa State Univ., Ames, IA (United States)]","Furukawa, Yuji [Ames Lab., and Iowa State Univ., Ames, IA (United States)] (ORCID:000000023722293X)","Tsirlin, Alexander A. [Univ. of Leipzig (Germany). Felix Bloch Institute] (ORCID:0000000169168256)","Nath, Ramesh [Indian Inst. of Science Education and Research, Thiruvananthapuram (India)] (ORCID:0000000316133652)"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY","magnetic interactions","magnetic phase transitions","quantum phase transitions","spin dynamics","dilution refrigerator","magnetization measurements","Muon spin relaxation & rotation","nuclear magnetic resonance"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311074"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311074"}]}, {"osti_id":"2318776","title":"Simulations of flaming combustion and flaming-to-smoldering transition in wildland fire spread at flame scale","report_number":"LLNL-JRNL-860122","doi":"10.1016/j.combustflame.2024.113370","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Combustion and Flame; Journal Volume: 262; Journal Issue: N/A","description":"Our objective in the present study is to provide basic insights into the coupling between external-gas and solid biomass vegetation processes that control the dynamics of flame spread in wildland fire problems. Here we focus on a modeling approach that resolves processes occurring at vegetation and flame scales, i.e., the formation of flammable vapors due to the thermal degradation of the solid biomass, the subsequent combustion in ambient air, the thermal feedback to the biomass through radiative and convective heat transfer, and the possible transition from flaming combustion (taking place outside of the solid biomass) to smoldering combustion (taking place inside the solid biomass). The capability uses a multiphase combustion framework and treats external-gas processes through a Large Eddy Simulation solver and solid biomass processes through a discrete particle model. The discrete particle model adopts a one-dimensional porous medium formulation, includes descriptions of drying, thermal pyrolysis, oxidative pyrolysis, and char oxidation, as well as a description of the external-gas-to-solid-biomass diffusion of oxygen mass; the discrete particle model thereby provides a treatment of in-depth oxidative processes and allows the simulation of smoldering combustion. The modeling capability is applied to the simulation of fire spread across a surrogate biomass vegetation bed corresponding to a discrete array of cylindrical-shaped, vertically-oriented, pine wood sticks, characterized by a monomodal size distribution, in horizontal flat terrain and under wind-aided conditions. The numerical results demonstrate that the model can simulate successful flaming-to-smoldering transition followed by complete biomass consumption.","availability":"External Audience (Unlimited)","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Elsevier","journal_name":"Combustion and Flame","journal_issue":"N/A","journal_volume":"262","format":"Medium: ED; Size: Article No. 113370","authors":["Ahmed, Mohamed Mohsen [University of Maryland, College Park, MD (United States)] (ORCID:000000026363724X)","Trouvé, Arnaud [University of Maryland, College Park, MD (United States)] (ORCID:0000000262003296)","Forthofer, Jason [USDA Forest Service, Missoula, MT (United States)] (ORCID:0000000295181435)","Finney, Mark [USDA Forest Service, Missoula, MT (United States)]"],"subjects":["42 ENGINEERING","01 COAL, LIGNITE, AND PEAT","09 BIOMASS FUELS","36 MATERIALS SCIENCE","flame spread","wildland fires","pyrolysis","char oxidation","turbulent non-premixed combustion","smoldering combustion"],"article_type":"Accepted Manuscript","doe_contract_number":"AC52-07NA27344; TG-CTS140046","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"US Department of Agriculture (USDA)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","US Department of Agriculture (USDA)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 0010-2180","other_identifiers":["Journal ID: ISSN 0010-2180; 1091166"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318776"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318776"}]}, {"osti_id":"2308884","title":"Soil microenvironmental variation drives below‐ground trait variation and interacts with macroclimate to structure above‐ground trait variation of arctic shrubs","doi":"10.1111/1365-2745.14278","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Ecology","description":"<title>Abstract<\/title>\n <p>\n <list>\n <list-item>\n <p>Intraspecific trait variation can influence plant performance in different environments and may thereby determine the ability of individual plants to respond to climate change. However, our understanding of its patterns and environmental drivers across different spatial scales is incomplete, especially in understudied regions like the Arctic.<\/p>\n <\/list-item>\n <list-item>\n <p>\n To fill this knowledge gap, we examined above‐ground and below‐ground traits from three shrub taxa expanding across the tundra biome and evaluated their relationships with multiple microenvironmental and macroclimatic factors. The traits reflected plant size and structure (plant height, leaf area and root to shoot ratio), leaf economics (specific leaf area, nitrogen content), and root economics and collaboration with mycorrhizal fungi (specific root length, root tissue density, nitrogen content, and ectomycorrhizal colonisation intensity). We also measured leaf and root δ\n <sup>15<\/sup>\n N and leaf δ\n <sup>13<\/sup>\n C to characterise nitrogen source and acquisition pathways and plant water stress. Traits were measured in replicated plots (\n <italic>N<\/italic>\n = 135) varying in soil microclimate, thaw depth and organic layer thickness established across five sites spanning a macroclimate gradient in northern Alaska. This hierarchical design allowed us to disentangle the independent and combined effects of fine‐scale and broad‐scale factors on intraspecific trait variation.\n <\/p>\n <\/list-item>\n <list-item>\n <p>We found substantial intraspecific variation at fine spatial scales for most traits and less variation along the macroclimate gradient and between shrub taxa. Consistent with these patterns, microenvironmental factors, mainly soil moisture and thaw depth, interacted with macroclimate, mainly climatic water deficit, to structure size‐structural and leaf trait variation. In contrast, most root traits responded additively to thaw depth and macroclimate.<\/p>\n <\/list-item>\n <list-item>\n <p>\n <italic>Synthesis<\/italic>\n . Our results demonstrate that above‐ground and below‐ground tundra shrub traits respond differently to microenvironmental and macroclimatic variation. These differing responses contribute to substantial trait variation at fine spatial scales and may decouple above‐ground and below‐ground trait responses to climate change.\n <\/p>\n <\/list-item>\n <\/list>\n <\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"Journal of Ecology","format":"Medium: X","authors":["Fraterrigo, Jennifer M. [Department of Natural Resources and Environmental Sciences University of Illinois Urbana Illinois USA] (ORCID:0000000203571007)","Chen, Weile [Department of Natural Resources and Environmental Sciences University of Illinois Urbana Illinois USA] (ORCID:0000000234384036)","Loyal, Joshua [Department of Statistics University of Illinois Urbana Illinois USA]","Euskirchen, Eugénie S. [Institute of Arctic Biology University of Alaska Fairbanks Alaska USA]"],"article_type":"Published Article","doe_contract_number":"DE‐SC0016219; DE‐SC0021094","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-0477","other_identifiers":["Journal ID: ISSN 0022-0477; 1365-2745.14278"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308884"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308884"}]}, {"osti_id":"2282392","title":"Sn-assisted heteroepitaxy improves ZnTiN\n <sub>2<\/sub>\n photoabsorbers","report_number":"NREL/JA-5K00-87650","doi":"10.1039/D3TA06200G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 8","description":"Sustainable production of liquid fuels from abundant resources, such as carbon dioxide and water, may be possible through photoelectrochemical processes. Zinc titanium nitride (ZnTiN<sub>2<\/sub>) has been recently demonstrated as a potential photoelectrode semiconductor for photoelectrochemical fuel generation due to its ideal bandgap induced by cation disorder, shared crystal structure with established semiconductors, and self-passivating surface oxides under carbon dioxide reduction operating conditions. However, substantial improvements in crystalline quality and optoelectronic properties of ZnTiN<sub>2<\/sub> are needed to enable such applications. In this work, we investigate the heteroepitaxial growth of ZnTiN<sub>2<\/sub> on c-plane (001) sapphire substrates. Growth on sapphire improves crystal quality, while growth on sapphire at elevated temperatures (300 °C) yields highly-oriented, single-crystal-like ZnTiN2 films. When Sn is incorporated during these epitaxial growth conditions, notable improvements in ZnTiN<sub>2<\/sub> film surface roughness and optoelectronic properties are observed. These improvements are attributed to Sn acting as a surfactant during growth and mitigating unintentional impurities such as O and C. The single-crystal-like, 12% Sn-containing ZnTiN<sub>2<\/sub> films exhibit a steep optical absorption onset at the band gap energy around 2 eV, electrical resistivity of 0.7 Ω cm, and a carrier mobility of 0.046 cm<sup>2<\/sup> V<sup>-1<\/sup> s<sup>-1<\/sup> with n-type carrier concentration of 2 × 10<sup>20<\/sup> cm<sup>-3<\/sup>. Density functional theory calculations reveal that moderate substitution of Sn (12.5% of the cation sites) on energetically-preferred cation sites has negligible impact on the optoelectronic properties of cation-disordered ZnTiN2. These results are important steps toward achieving high performance PEC devices based on ZnTiN<sub>2<\/sub> photoelectrodes with efficient photon absorption and photoexcited carrier extraction.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"8","journal_volume":"12","format":"Medium: X; Size: p. 4544-4554","authors":["Mangum, John S. [Materials Chemical and Computational Science Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, USA] (ORCID:0000000259267565)","Ke, Sijia [Department of Materials Science and Engineering, University of California Berkeley, Berkeley, California 94720, USA, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA]","Gish, Melissa K. [Materials Chemical and Computational Science Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, USA] (ORCID:0000000298863626)","Raulerson, Emily K. [Materials Chemical and Computational Science Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, USA]","Perkins, Craig L. [Materials Chemical and Computational Science Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, USA] (ORCID:0000000290368698)","Neaton, Jeffrey B. [Department of Physics, University of California, Berkeley, Berkeley, CA 94720, USA, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720, USA]","Zakutayev, Andriy [Materials Chemical and Computational Science Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, USA] (ORCID:0000000230545525)","Greenaway, Ann L. [Materials Chemical and Computational Science Directorate, National Renewable Energy Laboratory, Golden, Colorado 80401, USA] (ORCID:0000000166819965)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","36 MATERIALS SCIENCE","optoelectronic","PEC CO2R","photoabsorber","surfactant","ZnTiN2"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308; SC0021266; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"National Energy Research Scientific Computing Center (NERSC)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","National Energy Research Scientific Computing Center (NERSC)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282392"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282392"}]}, {"osti_id":"2281438","title":"Excitation energy transfer in proteoliposomes reconstituted with LH2 and RC-LH1 complexes from\n <i>Rhodobacter sphaeroides<\/i>","doi":"10.1042/BSR20231302","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Bioscience Reports Journal Volume: 44 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Light-harvesting 2 (LH2) and reaction-centre light-harvesting 1 (RC-LH1) complexes purified from the photosynthetic bacterium Rhodobacter (Rba.) sphaeroides were reconstituted into proteoliposomes either separately, or together at three different LH2:RC-LH1 ratios, for excitation energy transfer studies. Atomic force microscopy (AFM) was used to investigate the distribution and association of the complexes within the proteoliposome membranes. Absorption and fluorescence emission spectra were similar for LH2 complexes in detergent and liposomes, indicating that reconstitution retains the structural and optical properties of the LH2 complexes. Analysis of fluorescence emission shows that when LH2 forms an extensive series of contacts with other such complexes, fluorescence is quenched by 52.6 ± 1.4%. In mixed proteoliposomes, specific excitation of carotenoids in LH2 donor complexes resulted in emission of fluorescence from acceptor RC-LH1 complexes engineered to assemble with no carotenoids. Extents of energy transfer were measured by fluorescence lifetime microscopy; the 0.72 ± 0.08 ns lifetime in LH2-only membranes decreases to 0.43 ± 0.04 ns with a ratio of 2:1 LH2 to RC-LH1, and to 0.35 ± 0.05 ns for a 1:1 ratio, corresponding to energy transfer efficiencies of 40 ± 14% and 51 ± 18%, respectively. No further improvement is seen with a 0.5:1 LH2 to RC-LH1 ratio. Thus, LH2 and RC-LH1 complexes perform their light harvesting and energy transfer roles when reconstituted into proteoliposomes, providing a way to integrate native, non-native, engineered and de novo designed light-harvesting complexes into functional photosynthetic systems.<\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Portland Press Ltd.","journal_name":"Bioscience Reports","journal_issue":"2","journal_volume":"44","format":"Medium: X","authors":["Huang, Xia (ORCID:0000000316740065)","Vasilev, Cvetelin (ORCID:000000020536882X)","Swainsbury, David J. K. (ORCID:0000000207540363)","Hunter, C. Neil (ORCID:0000000325339783)"],"article_type":"Published Article","doe_contract_number":"SC0001035","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0144-8463","other_identifiers":["Journal ID: ISSN 0144-8463; BSR20231302"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281438"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281438"}]}, {"osti_id":"2309793","title":"Multivariate Machine Learning Models of Nanoscale Porosity from Ultrafast NMR Relaxometry","doi":"10.1002/anie.202316664","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Angewandte Chemie (International Edition)","description":"<title>Abstract<\/title>\n <p>Nanoporous materials are of great interest in many applications, such as catalysis, separation, and energy storage. The performance of these materials is closely related to their pore sizes, which are inefficient to determine through the conventional measurement of gas adsorption isotherms. Nuclear magnetic resonance (NMR) relaxometry has emerged as a technique highly sensitive to porosity in such materials. Nonetheless, streamlined methods to estimate pore size from NMR relaxometry remain elusive. Previous attempts have been hindered by inverting a time domain signal to relaxation rate distribution, and dealing with resulting parameters that vary in number, location, and magnitude. Here we invoke well‐established machine learning techniques to directly correlate time domain signals to BET surface areas for a set of metal‐organic frameworks (MOFs) imbibed with solvent at varied concentrations. We employ this series of MOFs to establish a correlation between NMR signal and surface area via partial least squares (PLS), following screening with principal component analysis, and apply the PLS model to predict surface area of various nanoporous materials. This approach offers a high‐throughput, non‐destructive way to assess porosity in c.a. one minute. We anticipate this work will contribute to the development of new materials with optimized pore sizes for various applications.<\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Angewandte Chemie (International Edition)","format":"Medium: X","authors":["Fricke, Sophia N. [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA] (ORCID:000000020183466X)","Salgado, Mia [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA]","Menezes, Tamires [Department of Process Engineering Tiradentes University Aracaju SE 49010-390 Brazil]","Costa Santos, Kátilla M. [Department of Process Engineering Tiradentes University Aracaju SE 49010-390 Brazil]","Gallagher, Neal B. [Chemometrics Eigenvector Research, Inc. Manson WA 98831 USA]","Song, Ah‐Young [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA, Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA]","Wang, Jieyu [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA]","Engler, Kaitlyn [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA]","Wang, Yang [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA]","Mao, Haiyan [Department of Materials Science and Engineering Stanford University Stanford CA 94305 USA]","Reimer, Jeffrey A. [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA, Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1433-7851","other_identifiers":["Journal ID: ISSN 1433-7851; e202316664"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309793"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309793"}]}, {"osti_id":"2309766","title":"Multivariate Machine Learning Models of Nanoscale Porosity from Ultrafast NMR Relaxometry","doi":"10.1002/ange.202316664","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Angewandte Chemie","description":"<title>Abstract<\/title>\n <p>Nanoporous materials are of great interest in many applications, such as catalysis, separation, and energy storage. The performance of these materials is closely related to their pore sizes, which are inefficient to determine through the conventional measurement of gas adsorption isotherms. Nuclear magnetic resonance (NMR) relaxometry has emerged as a technique highly sensitive to porosity in such materials. Nonetheless, streamlined methods to estimate pore size from NMR relaxometry remain elusive. Previous attempts have been hindered by inverting a time domain signal to relaxation rate distribution, and dealing with resulting parameters that vary in number, location, and magnitude. Here we invoke well‐established machine learning techniques to directly correlate time domain signals to BET surface areas for a set of metal‐organic frameworks (MOFs) imbibed with solvent at varied concentrations. We employ this series of MOFs to establish a correlation between NMR signal and surface area via partial least squares (PLS), following screening with principal component analysis, and apply the PLS model to predict surface area of various nanoporous materials. This approach offers a high‐throughput, non‐destructive way to assess porosity in c.a. one minute. We anticipate this work will contribute to the development of new materials with optimized pore sizes for various applications.<\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Angewandte Chemie","format":"Medium: X","authors":["Fricke, Sophia N. [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA] (ORCID:000000020183466X)","Salgado, Mia [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA]","Menezes, Tamires [Department of Process Engineering Tiradentes University Aracaju SE 49010-390 Brazil]","Costa Santos, Kátilla M. [Department of Process Engineering Tiradentes University Aracaju SE 49010-390 Brazil]","Gallagher, Neal B. [Chemometrics Eigenvector Research, Inc. Manson WA 98831 USA]","Song, Ah‐Young [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA, Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA]","Wang, Jieyu [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA]","Engler, Kaitlyn [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA]","Wang, Yang [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA]","Mao, Haiyan [Department of Materials Science and Engineering Stanford University Stanford CA 94305 USA]","Reimer, Jeffrey A. [Department of Chemical and Biomolecular Engineering University of California, Berkeley Berkeley CA 94720 USA, Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0044-8249","other_identifiers":["Journal ID: ISSN 0044-8249; e202316664"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309766"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309766"}]}, {"osti_id":"2322387","title":"The importance of ion kinetic energy for interference removal in ICP-MS/MS","report_number":"PNNL-SA-190989","doi":"10.1016/j.talanta.2024.125799","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Talanta; Journal Volume: 272","description":"Here, the effect of ion kinetic energy on gas phase ion reactivity with ICP-MS/MS was investigated in order to explore tuning strategies for interference removal. The collision/reaction gases CO<sub>2<\/sub>, N<sub>2<\/sub>O and O<sub>2<\/sub> were used to observe the ion product distribution for 48 elements using an Agilent tandem ICP-MS (ICP-MS/MS) as a function of reaction gas flow rate (pressure) and ion kinetic energy. The kinetic energy of the incident ion was varied by adjusting the octopole bias (V<sub>oct<\/sub>). The three gases all form oxides (MO<sup>+<\/sup>) as the primary product with differing reaction enthalpies that result in distinct differences in the ion energies required for reaction with product ion distributions that vary with Voct. Consequently, by varying the ion kinetic energy (i.e., V<sub>oct<\/sub>), differences in interference reactivity can be used to achieve maximum separation. Three practical application examples were reported to demonstrate how the ion kinetic energy can be varied to achieve the ideal ion product distribution for interference resolution: CO<sub>2<\/sub> for the removal of <sup>238<\/sup>U in Pu analyses, CO<sub>2<\/sub> for the removal of <sup>40<\/sup>Ar<sup>16<\/sup>O vs. <sup>56<\/sup>Fe, and O<sub>2<\/sub> for the removal of Sm in Eu analyses, analogous to Pu/Am. The results demonstrate how the starting ion energy defined by V<sub>oct<\/sub> is an important factor to fully leverage the utility of any given reaction gas to remove interferences in the mass spectrum using ICP-MS/MS.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Elsevier","journal_name":"Talanta","journal_volume":"272","format":"Medium: ED; Size: Article No. 125799","authors":["French, Amanda D. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000284176091)","Melby, Kali M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000196179196)","Hobbs, Kirby P. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0009000485372811)","Cox, Richard M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000318123431)","Eiden, Greg [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Idaho National Laboratory (INL), Idaho Falls, ID (United States)]","Hoppe, Eric W. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000281717323)","Arnquist, Isaac J. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000256438330)","Harouaka, Khadouja [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]"],"subjects":["kinetic energy","ICP-MS/MS","elemental analysis","inline measurements"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 0039-9140","other_identifiers":["Journal ID: ISSN 0039-9140"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322387"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322387"}]}, {"osti_id":"2315664","title":"New solutions of coupled nonlocal NLS and coupled nonlocal mKdV equations","report_number":"LA-UR-23-33482","doi":"10.1016/j.aop.2024.169627","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Annals of Physics; Journal Volume: 463","description":"In this study, we provide several novel solutions of the coupled Ablowitz–Musslimani (AM) version of the nonlocal nonlinear Schrödinger (NLS) equation and the coupled nonlocal modified Korteweg–de Vries (mKdV) equation. In each case we compare and contrast the corresponding solutions of the relevant coupled local equations. Further, we provide new solutions of the coupled local NLS and coupled local mKdV equations which are not the solutions of the corresponding nonlocal equations. We also show that the nonlocal coupled (as well as uncoupled) mKdV equations have hidden Galilean invariance and admit novel solutions.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Elsevier","journal_name":"Annals of Physics","journal_volume":"463","format":"Medium: ED; Size: Article No. 169627","authors":["Khare, Avinash [Savitribai Phule Pune University, Pune (India)]","Saxena, Avadh [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000233743236)"],"subjects":["71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS","Mathematics","Soliton","Jacobi elliptic function","Coupled nonlocal equation","Nonlinear Schrodinger equation","Modified Korteweg–de Vries equation"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001; AC52-06NA25396; DEAC52-06NA25396","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0003-4916","other_identifiers":["Journal ID: ISSN 0003-4916"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315664"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315664"}]}, {"osti_id":"2308857","title":"Causally‐Informed Deep Learning to Improve Climate Models and Projections","doi":"10.1029/2023JD039202","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Geophysical Research: Atmospheres Journal Volume: 129 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>Climate models are essential to understand and project climate change, yet long‐standing biases and uncertainties in their projections remain. This is largely associated with the representation of subgrid‐scale processes, particularly clouds and convection. Deep learning can learn these subgrid‐scale processes from computationally expensive storm‐resolving models while retaining many features at a fraction of computational cost. Yet, climate simulations with embedded neural network parameterizations are still challenging and highly depend on the deep learning solution. This is likely associated with spurious non‐physical correlations learned by the neural networks due to the complexity of the physical dynamical system. Here, we show that the combination of causality with deep learning helps removing spurious correlations and optimizing the neural network algorithm. To resolve this, we apply a causal discovery method to unveil causal drivers in the set of input predictors of atmospheric subgrid‐scale processes of a superparameterized climate model in which deep convection is explicitly resolved. The resulting causally‐informed neural networks are coupled to the climate model, hence, replacing the superparameterization and radiation scheme. We show that the climate simulations with causally‐informed neural network parameterizations retain many convection‐related properties and accurately generate the climate of the original high‐resolution climate model, while retaining similar generalization capabilities to unseen climates compared to the non‐causal approach. The combination of causal discovery and deep learning is a new and promising approach that leads to stable and more trustworthy climate simulations and paves the way toward more physically‐based causal deep learning approaches also in other scientific disciplines.<\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Geophysical Research: Atmospheres","journal_issue":"4","journal_volume":"129","format":"Medium: X","authors":["Iglesias‐Suarez, Fernando [Deutsches Zentrum für Luft‐ und Raumfahrt e.V. (DLR) Institute of Atmospheric Physics Oberpfaffenhofen Germany] (ORCID:0000000334038245)","Gentine, Pierre [Department of Earth and Environmental Engineering Center for Learning the Earth with Artificial intelligence and Physics (LEAP) Columbia University New York NY USA, Earth and Environmental Engineering Earth and Environmental Sciences Learning the Earth with Artificial intelligence and Physics (LEAP) Science and Technology Center Columbia University New York NY USA] (ORCID:0000000208458345)","Solino‐Fernandez, Breixo [Deutsches Zentrum für Luft‐ und Raumfahrt e.V. (DLR) Institute of Atmospheric Physics Oberpfaffenhofen Germany]","Beucler, Tom [University of Lausanne Institute of Earth Surface Dynamics Lausanne Switzerland] (ORCID:0000000257311040)","Pritchard, Michael [Department of Earth System Science University of California Irvine CA USA, NVIDIA Corporation Santa Clara CA USA] (ORCID:0000000203406327)","Runge, Jakob [Deutsches Zentrum für Luft‐ und Raumfahrt e.V. (DLR) Institute of Data Science Jena Germany, Technische Universität Berlin Institute of Computer Engineering and Microelectronics Berlin Germany]","Eyring, Veronika [Deutsches Zentrum für Luft‐ und Raumfahrt e.V. (DLR) Institute of Atmospheric Physics Oberpfaffenhofen Germany, University of Bremen Institute of Environmental Physics (IUP) Bremen Germany] (ORCID:0000000268874885)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2169-897X","other_identifiers":["Journal ID: ISSN 2169-897X; e2023JD039202"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308857"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308857"}]}, {"osti_id":"2310400","title":"Redshift-dependent RSD bias from intrinsic alignment with DESI Year 1 spectra","doi":"10.1093/mnras/stae317","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 528 Journal Issue: 4","description":"<title>ABSTRACT<\/title>\n <p>We estimate the redshift-dependent, anisotropic clustering signal in the Dark Energy Spectroscopic Instrument (DESI) Year 1 Survey created by tidal alignments of Luminous Red Galaxies (LRGs) and a selection-induced galaxy orientation bias. To this end, we measured the correlation between LRG shapes and the tidal field with DESI’s Year 1 redshifts, as traced by LRGs and Emission-Line Galaxies. We also estimate the galaxy orientation bias of LRGs caused by DESI’s aperture-based selection, and find it to increase by a factor of seven between redshifts 0.4−1.1 due to redder, fainter galaxies falling closer to DESI’s imaging selection cuts. These effects combine to dampen measurements of the quadrupole of the correlation function (ξ2) caused by structure growth on scales of 10–80 h−1 Mpc by about 0.15 per cent for low redshifts (0.4 < z < 0.6) and 0.8 per cent for high (0.8 < z < 1.1), a significant fraction of DESI’s error budget. We provide estimates of the ξ2 signal created by intrinsic alignments that can be used to correct this effect, which is necessary to meet DESI’s forecasted precision on measuring the growth rate of structure. While imaging quality varies across DESI’s footprint, we find no significant difference in this effect between imaging regions in the Legacy Imaging Survey.<\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"4","journal_volume":"528","format":"Medium: X; Size: p. 6559-6567","authors":["Lamman, Claire (ORCID:0000000267319329)","Eisenstein, Daniel (ORCID:0000000229293121)","Aguilar, Jessica Nicole","Ahlen, Steven (ORCID:0000000160987247)","Brooks, David","Claybaugh, Todd","de la Macorra, Axel (ORCID:0000000217691640)","Dey, Arjun","Dey, Biprateep (ORCID:0000000256657912)","Doel, Peter","Ferraro, Simone (ORCID:0000000349927854)","Font-Ribera, Andreu (ORCID:0000000230337312)","Forero-Romero, Jaime E. (ORCID:0000000228903725)","Gontcho, Satya Gontcho A. (ORCID:000000033142233X)","Guy, Julien","Kehoe, Robert","Kremin, Anthony (ORCID:0000000163567424)","Le Guillou, Laurent (ORCID:0000000171788868)","Levi, Michael (ORCID:0000000318871018)","Manera, Marc (ORCID:0000000349628934)","Miquel, Ramon","Newman, Jeffrey A. (ORCID:0000000186842222)","Nie, Jundan (ORCID:0000000165908122)","Palanque-Delabrouille, Nathalie (ORCID:000000033188784X)","Prada, Francisco (ORCID:0000000171458674)","Rezaie, Mehdi (ORCID:0000000155897116)","Rossi, Graziano","Sanchez, Eusebio (ORCID:0000000296468198)","Schubnell, Michael","Hee-Jong, Seo (ORCID:0000000265883508)","Tarlé, Gregory (ORCID:0000000317040781)","Weaver, Benjamin Alan","Zhou, Zhimin (ORCID:0000000241350977)"],"article_type":"Published Article","doe_contract_number":"SC0013718","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310400"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310400"}]}, {"osti_id":"2311075","title":"Imaginary phonon modes and phonon-mediated superconductivity in Y<sub>2<\/sub>C<sub>3<\/sub>","report_number":"IS-J-11,270","doi":"10.1103/physrevb.109.054518","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 5","description":"For Y<sub>2<\/sub>C<sub>3<\/sub> with a superconducting critical temperature ($T_c$) ~18 K, zone-center imaginary optical phonon modes have been found for the high-symmetry I-43d structure due to C dimer wobbling motion and electronic instability from a flat band near Fermi energy. After lattice distortion to the more stable lowest-symmetry P1 structure, these stabilized low-energy phonon modes with a mixed C and Y character carry a strong electronphonon coupling to give rise to the observed sizable $T_c$. Our work shows that compounds with the calculated dynamical instability should not be simply excluded in the high-throughput search for new phonon-mediated superconductors. Moreover, we have studied the phase stability of the I-43d structure by calculating the enthalpy of different structural motifs of binary compounds containing group-IV elements at the 2:3 composition and also exploring the energy landscapes via ab initio molecular dynamics near and out of the I-43d structure. Here, our results show that the I-43d-type structures with C dimers are preferred in the low to medium pressure range. Because of the wobbling motion of the C dimers, there are many local energy minimums with degenerated energies. Thus, the ensemble average of many I-43d-distorted structures with C dimer wobbling motion at finite temperature still gives an overall I-43d structure.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"5","journal_volume":"109","format":"Medium: ED; Size: Article No. 054518","authors":["Nepal, Niraj K. [Ames Laboratory (AMES), Ames, IA (United States)] (ORCID:0000000272813268)","Canfield, Paul C. [Ames Lab., and Iowa State Univ., Ames, IA (United States)]","Wang, Lin-Lin [Ames Laboratory (AMES), Ames, IA (United States)] (ORCID:0000000309653246)"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY","electronic structure","flat bands","phonons","superconductivity"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311075"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311075"}]}, {"osti_id":"2315008","title":"Lithium plating induced degradation during fast charging of batteries subjected to compressive loading","report_number":"IS-J -11,275","doi":"10.1016/j.est.2024.110701","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Energy Storage; Journal Volume: 84","description":"Here we report the lithium plating associated capacity loss during fast charging of compressively loaded lithium-ion batteries (LIBs). The charging and discharging of LIB under compressive loading during service may affect the cell performance or initiate localized defects in the electrodes. Pouch cells of capacity 20 mAh were compressively loaded to nominal pressures of 0–440 kPa and subjected to 10 cycles of fast charging at 1 C and 4 C. Experimental results show that cells charged at 4 C-rate experienced significant capacity fade, and applying compressive loads exacerbated the capacity loss. The coulombic efficiency study shows that active lithium loss was higher for the initial cycles before gradually reducing to a minimal capacity loss for the tenth charging cycle. The cell voltage relaxation immediately after charging was monitored to identify the stripping of plated lithium after fast charging cycles and showed that the duration of lithium stripping was higher for cells under mechanical compressive loading. Scanning electron microscopy (SEM) and electron paramagnetic resonance spectroscopy (EPR) characterization of the anode showed significantly higher lithium deposits on the anodes charged at a 4 C rate under compressive loads. These results indicate that applied mechanical compression causes increased lithium plating during fast charging of batteries.","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Elsevier","journal_name":"Journal of Energy Storage","journal_volume":"84","format":"Medium: ED; Size: Article No. 110701","authors":["Gargh, Prashant P. [Iowa State University, Ames, IA (United States); Ames Laboratory (AMES), Ames, IA (United States)]","Sarkar, Abhishek [Iowa State University, Ames, IA (United States); Ames Laboratory (AMES), Ames, IA (United States)]","Nlebedim, Ikenna C. [Iowa State University, Ames, IA (United States); Ames Laboratory (AMES), Ames, IA (United States)]","Shrotriya, Pranav [Iowa State University, Ames, IA (United States); Ames Laboratory (AMES), Ames, IA (United States)]"],"subjects":["25 ENERGY STORAGE"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Office of Science (SC)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 2352-152X","other_identifiers":["Journal ID: ISSN 2352-152X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315008"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315008"}]}, {"osti_id":"2308900","title":"Spatial decay of electromagnetic waves from hypervelocity impact plasmas","doi":"10.1016/j.ijimpeng.2024.104924","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: International Journal of Impact Engineering; Journal Volume: 187","description":"Due to the high kinetic energy of impactors in space, hypervelocity impacts on spacecraft can ablate spacecraft material and produce plasmas. These plasmas have been observed in ground-based experiments to produce electromagnetic pulses (EMPs) and are suspected to be a cause of spacecraft anomalies. The initial EMP that is produced after plasma formation is replicated using a 2D electromagnetic plasma simulation, consisting of a discontinuous Galerkin, particle-in-cell (DG-PIC) framework. The spontaneous formation of EMPs from an initial quasineutral plasma is consistent with previous works and show behavior similar to that of waves emitted by antennas. The EMP emits from the plasma with a frequency less than the plasma frequency associated with the point of maximum density, showing the importance of the density gradient, and the far-field region of the “plasma antenna” is estimated. From the proportionality between plasma frequency and EMP frequency, there is a direct correlation between plasma density and radiation. Finally, as the plasma density decreases, the EMP frequency decreases, which suggests that several observable phenomena, such as optical flashes, radio frequency emission, and microwave emission, all result from the same plasma-related mechanism within a single hypervelocity impact.","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Elsevier","journal_name":"International Journal of Impact Engineering","journal_volume":"187","format":"Medium: ED; Size: Article No. 104924","authors":["Lau, Raymond [Stanford Univ., CA (United States)] (ORCID:0000000299318101)","Lee, Nicolas [Stanford Univ., CA (United States)] (ORCID:0000000155001324)","Elschot, Sigrid [Stanford Univ., CA (United States)] (ORCID:0000000286379175)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","42 ENGINEERING","hypervelocity impact","plasma","dusty plasma","particle-in-cell","discontinuous Galerkin","plasma antenna"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0024584; ACI-1548562","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[{"name":"Stanford Univ., CA (United States)"}],"research_orgs":["Stanford Univ., CA (United States)"],"journal_issn":"ISSN 0734-743X","other_identifiers":["Journal ID: ISSN 0734-743X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308900"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308900"}]}, {"osti_id":"2308866","title":"IPD3, a master regulator of arbuscular mycorrhizal symbiosis, affects genes for immunity and metabolism of non-host Arabidopsis when restored long after its evolutionary loss","doi":"10.1007/s11103-024-01422-3","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Plant Molecular Biology Journal Volume: 114 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Arbuscular mycorrhizal symbiosis (AM) is a beneficial trait originating with the first land plants, which has subsequently been lost by species scattered throughout the radiation of plant diversity to the present day, including the model\n <italic>Arabidopsis thaliana<\/italic>\n . To explore if elements of this apparently beneficial trait are still present and could be reactivated we generated\n <italic>Arabidopsis<\/italic>\n plants expressing a constitutively active form of\n <italic>Interacting Protein of DMI3<\/italic>\n , a key transcription factor that enables AM within the Common Symbiosis Pathway, which was lost from\n <italic>Arabidopsis<\/italic>\n along with the AM host trait. We characterize the transcriptomic effect of expressing\n <italic>IPD3<\/italic>\n in\n <italic>Arabidopsis<\/italic>\n with and without exposure to the AM fungus (AMF)\n <italic>Rhizophagus irregularis<\/italic>\n , and compare these results to the AM model\n <italic>Lotus japonicus<\/italic>\n and its\n <italic>ipd3<\/italic>\n knockout mutant\n <italic>cyclops-4<\/italic>\n . Despite its long history as a non-AM species, restoring\n <italic>IPD3<\/italic>\n in the form of its constitutively active DNA-binding domain to\n <italic>Arabidopsis<\/italic>\n altered expression of specific gene networks. Surprisingly, the effect of expressing\n <italic>IPD3<\/italic>\n in\n <italic>Arabidopsis<\/italic>\n and knocking it out in\n <italic>Lotus<\/italic>\n was strongest in plants not exposed to AMF, which is revealed to be due to changes in\n <italic>IPD3<\/italic>\n genotype causing a transcriptional state, which partially mimics AMF exposure in non-inoculated plants. Our results indicate that molecular connections to symbiosis machinery remain in place in this nonAM species, with implications for both basic science and the prospect of engineering this trait for agriculture.\n <\/p>","publication_date":"2024-02-18T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Plant Molecular Biology","journal_issue":"2","journal_volume":"114","format":"Medium: X","authors":["Hornstein, Eli D. (ORCID:0000000331570420)","Charles, Melodi (ORCID:0000000314845904)","Franklin, Megan (ORCID:0000000215646627)","Edwards, Brianne (ORCID:0000000191942682)","Vintila, Simina (ORCID:0000000300180016)","Kleiner, Manuel (ORCID:0000000169040287)","Sederoff, Heike (ORCID:0000000209609678)"],"article_type":"Published Article","doe_contract_number":"SC0018269","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0167-4412","other_identifiers":["Journal ID: ISSN 0167-4412; 21; PII: 1422"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308866"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308866"}]}, {"osti_id":"2308859","title":"Genomic surveillance indicates clonal replacement of hypervirulent Klebsiella pneumoniae ST881 and ST29 lineage strains in vivo","doi":"10.3389/fmicb.2024.1375624","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Microbiology Journal Volume: 15","description":"<p>\n The emergence of hypervirulent\n <italic>Klebsiella pneumoniae<\/italic>\n (hvKp) poses a significant public health threat, particularly regarding its carriage in the healthy population. However, the genomic epidemiological characteristics and population dynamics of hvKp within a single patient across distinct infection episodes remain largely unknown. This study aimed to investigate the clonal replacement of hvKp K2-ST881 and K54-ST29 lineage strains in a single patient experiencing multiple-site infections during two independent episodes. Two strains, designated EDhvKp-1 and EDhvKp-2, were obtained from blood and cerebrospinal fluid during the first admission, and the strain isolated from blood on the second admission was named EDhvKp-3. Whole-genome sequencing, utilizing both short-read Illumina and long-read Oxford Nanopore platforms, was conducted.\n <italic>In silico<\/italic>\n multilocus sequence typing (MLST), identification of antimicrobial resistance and virulence genes, and the phylogenetic relationship between our strains and other\n <italic>K. pneumoniae<\/italic>\n ST881 and ST29 genomes retrieved from the public database were performed. Virulence potentials were assessed through a mouse lethality assay. Our study indicated that the strains were highly susceptible to multiple antimicrobial agents. Plasmid sequence analysis confirmed that both virulence plasmids, pEDhvKp-1 (166,008 bp) and pEDhvKp-3 (210,948 bp), belonged to IncFIB type. Multiple virulence genes, including\n <italic>rmpA<\/italic>\n ,\n <italic>rmpA2<\/italic>\n ,\n <italic>rmpC<\/italic>\n ,\n <italic>rmpD<\/italic>\n ,\n <italic>iroBCDN<\/italic>\n ,\n <italic>iucABCD<\/italic>\n , and\n <italic>iutA<\/italic>\n , were identified. EDhvKp-1 and EDhvKp-2 showed the closest relationship to strain 502 (differing by 51 SNPs), while EDhvKp-3 exhibited 69 SNPs differences compared to strain TAKPN-1, which all recovered from Chinese patients in 2020. In the mouse infection experiment, both ST881 EDhvKp-1 and ST29 EDhvKp-3 displayed similar virulence traits, causing 90 and 100% of the mice to die within 72 h after intraperitoneal infection, respectively. Our study expands the spectrum of hvKp lineages and highlights genomic alterations associated with clonal switching between two distinct lineages of hvKP that successively replaced each other\n <italic>in vivo<\/italic>\n . The development of novel strategies for the surveillance, diagnosis, and treatment of high-risk hvKp is urgently needed.\n <\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Microbiology","journal_volume":"15","format":"Medium: X","authors":["Liu, Ning","Lou, Ningjie","Huang, Jiajie","Chen, Zhenhao","Li, Bing","Zhang, Zhongheng","Hong, Yucai","Cao, Liping","Xiao, Wei"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"}],"sponsor_orgs":["USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1664-302X","other_identifiers":["Journal ID: ISSN 1664-302X; 1375624"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308859"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308859"}]}, {"osti_id":"2308875","title":"Enhanced Charge Separation in Single Atom Cobalt Based Graphitic Carbon Nitride: Time Domain\n <i>Ab Initio<\/i>\n Analysis","doi":"10.1021/acs.jpclett.3c03621","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry Letters Journal Volume: 15 Journal Issue: 8","description":"In recent years, single atom catalysts have been at the forefront of energy conversion research, particularly in the field of catalysis. Carbon nitrides offer great potential as hosts for stabilizing metal atoms due to their unique electronic structure. We use ab initio nonadiabatic molecular dynamics to study photoexcitation dynamics in single atom cobalt based graphitic carbon nitride. The results elucidate the positive effect of the doped cobalt atom on the electronic structure of GCN. Cobalt doping produces filled midgap states that serve as oxidation centers, advantageous for various redox reactions. The presence of midgap states enables the harvesting of longer wavelength photons, thereby extending the absorption range of solar light. Although doping accelerates charge relaxation overall, charge recombination is significantly slower than charge separation, creating beneficial conditions for catalysis applications. The simulations reveal the detailed microscopic mechanism underlying the improved performance of the doped system due to atomic defects and demonstrate an effective charge separation strategy to construct highly efficient and stable photocatalytic two-dimensional materials.","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry Letters","journal_issue":"8","journal_volume":"15","format":"Medium: X; Size: p. 2202-2208","authors":["Agrawal, Sraddha [Department of Chemistry, University of Southern California, Los Angeles, California 90007, United States]","Casanova, David [Donostia International Physics Center (DIPC), 20018 Donostia, Euskadi, Spain, IKERBASQUE, Basque Foundation for Science, 48009 Bilbao, Euskadi, Spain] (ORCID:0000000288937089)","Trivedi, Dhara J. [Department of Physics, Clarkson University, Potsdam, New York 13699, United States] (ORCID:0000000281513929)","Prezhdo, Oleg V. [Department of Chemistry, University of Southern California, Los Angeles, California 90007, United States, Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90007, United States] (ORCID:0000000251407500)"],"subjects":["Cobalt","Electrical conductivity","Electrical properties","Energy","Recombination"],"article_type":"Published Article","doe_contract_number":"SC0014429","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Univ. of Southern California, Los Angeles, CA (United States)"}],"research_orgs":["Univ. of Southern California, Los Angeles, CA (United States)"],"journal_issn":"ISSN 1948-7185","other_identifiers":["Journal ID: ISSN 1948-7185"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308875"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308875"}]}, {"osti_id":"2308880","title":"Tetraether archaeal lipids promote long‐term survival in extreme conditions","doi":"10.1111/mmi.15240","product_type":"Journal Article","language":"English","country_publication":"FAO","relation":"Journal Name: Molecular Microbiology","description":"<title>Abstract<\/title>\n <p>\n The sole unifying feature of the incredibly diverse Archaea is their isoprenoid‐based ether‐linked lipid membranes. Unique lipid membrane composition, including an abundance of membrane‐spanning tetraether lipids, impart resistance to extreme conditions. Many questions remain, however, regarding the synthesis and modification of tetraether lipids and how dynamic changes to archaeal lipid membrane composition support hyperthermophily. Tetraether membranes, termed glycerol dibiphytanyl glycerol tetraethers (GDGTs), are generated by tetraether synthase (Tes) by joining the tails of two bilayer lipids known as archaeol. GDGTs are often further specialized through the addition of cyclopentane rings by GDGT ring synthase (Grs). A positive correlation between relative GDGT abundance and entry into stationary phase growth has been observed, but the physiological impact of inhibiting GDGT synthesis has not previously been reported. Here, we demonstrate that the model hyperthermophile\n <italic>Thermococcus kodakarensis<\/italic>\n remains viable when Tes (TK2145) or Grs (TK0167) are deleted, permitting phenotypic and lipid analyses at different temperatures. The absence of cyclopentane rings in GDGTs does not impact growth in\n <italic>T. kodakarensis<\/italic>\n , but an overabundance of rings due to ectopic Grs expression is highly fitness negative at supra‐optimal temperatures. In contrast, deletion of Tes resulted in the loss of all GDGTs, cyclization of archaeol, and loss of viability upon transition to the stationary phase in this model archaea. These results demonstrate the critical roles of highly specialized, dynamic, isoprenoid‐based lipid membranes for archaeal survival at high temperatures.\n <\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"Molecular Microbiology","format":"Medium: X","authors":["Liman, Geraldy Lie Stefanus [Department of Biochemistry and Molecular Biology Colorado State University Fort Collins Colorado USA] (ORCID:0009000140536008)","Garcia, Andy A. [Department of Earth System Science Stanford University Stanford California USA] (ORCID:0000000175155646)","Fluke, Kristin A. [Cell and Molecular Biology Graduate Program Colorado State University Fort Collins Colorado USA] (ORCID:0000000233983184)","Anderson, Hayden R. [Department of Chemistry Stanford University Stanford California USA]","Davidson, Sarah C. [Department of Biochemistry and Molecular Biology Colorado State University Fort Collins Colorado USA]","Welander, Paula V. [Department of Earth System Science Stanford University Stanford California USA] (ORCID:0000000295026902)","Santangelo, Thomas J. [Department of Biochemistry and Molecular Biology Colorado State University Fort Collins Colorado USA, Cell and Molecular Biology Graduate Program Colorado State University Fort Collins Colorado USA] (ORCID:0000000345593244)"],"article_type":"Published Article","doe_contract_number":"DE‐SC0014597","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0950-382X","other_identifiers":["Journal ID: ISSN 0950-382X; mmi.15240"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308880"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308880"}]}, {"osti_id":"2290391","title":"Synthesis of and iodine capture with MS\n <sub>\n <i>x<\/i>\n <\/sub>\n (Ag\n <sub>2<\/sub>\n S, Bi\n <sub>2<\/sub>\n S\n <sub>3<\/sub>\n , Cu\n <sub>2<\/sub>\n S)–polyacrylonitrile composites","doi":"10.1039/D3NJ05961H","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: New Journal of Chemistry Journal Volume: 48 Journal Issue: 8","description":"<p>\n This work demonstrates polyacrylonitrile composites for iodine capture using promising metal-sulfide (Ag\n <sub>2<\/sub>\n S, Bi\n <sub>2<\/sub>\n S\n <sub>3<\/sub>\n , Cu\n <sub>2<\/sub>\n S) compounds as the active gettering agents.\n <\/p>","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"New Journal of Chemistry","journal_issue":"8","journal_volume":"48","format":"Medium: X; Size: p. 3352-3356","authors":["Riley, Brian J. [Pacific Northwest National Laboratory, 902 Battelle Blvd, Richland, WA 99354, USA] (ORCID:0000000277456730)","Chong, Saehwa [Pacific Northwest National Laboratory, 902 Battelle Blvd, Richland, WA 99354, USA] (ORCID:0000000247220022)","Canfield, Nathan L. [Pacific Northwest National Laboratory, 902 Battelle Blvd, Richland, WA 99354, USA] (ORCID:0000000294394447)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1144-0546","other_identifiers":["Journal ID: ISSN 1144-0546; NJCHE5"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290391"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290391"}]}, {"osti_id":"2314981","title":"helios: An R package to process heating and cooling degrees for GCAM","report_number":"PNNL-SA-188047","doi":"10.21105/joss.06033","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Open Source Software; Journal Volume: 9; Journal Issue: 94","description":"helios is an open-source R package that estimates population-weighted heating and cooling degree-hours (HDH and CDH) and degree-days (HDD and CDD) at various temporal (e.g., energy dispatch segments, monthly, yearly) and spatial scales (e.g., U.S. states, global political regions, countries). The degree hour and degree day outputs from helios are used to inform electricity demand load in the Global Change Analysis Model (GCAM) as well as in GCAM-USA (which is the version of GCAM with U.S. state-level details). helios uses a workflow with four steps: processing raw data; calculating heating and cooling degrees; visualizing performance diagnostics; and outputing results in various formats. There are two sources of widely-used climate data compatible with helios: (1) hourly climate data with 12-km resolution that are dynamically downscaled with the Weather Research and Forecasting (WRF) model and projected using a thermal global warming (TGW) approach; and (2) daily climate data with 0.5-degree resolution from the Coupled Model Intercomparison Project (CMIP) that is bias-adjusted and statistical downscaled by the Inter-Sectoral Impact Model Intercomparison Project (ISIMIP). In summary, helios is a model that standardizes methodology of heating and cooling degrees-hours and degree-days using publicly available data and advance the understanding of the impact of spatial and temporal temperature variability on building energy services.","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Open Source Initiative - NumFOCUS","journal_name":"Journal of Open Source Software","journal_issue":"94","journal_volume":"9","format":"Medium: ED; Size: Article No. 6033","authors":["Zhao, Mengqi [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000153852758)","Khan, Zarrar [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Joint Global Change Research Institute] (ORCID:0000000281478553)","Dorheim, Kalyn [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Joint Global Change Research Institute] (ORCID:0000000180938397)","Vernon, Chris [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000234066214)"],"subjects":["97 MATHEMATICS AND COMPUTING","heating and cooling degree days","GCAM-USA","GCAM","building energy demand","climate"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"}],"sponsor_orgs":["USDOE Office of Science (SC)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2475-9066","other_identifiers":["Journal ID: ISSN 2475-9066"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2314981"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2314981"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2314981"}]}, {"osti_id":"2311318","title":"Searching for Suitable Binary Fluid for an Ejector Heat Pump for Domestic Water Heating","doi":"10.1115/1.4064648","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Thermal Science and Engineering Applications; Journal Volume: 16; Journal Issue: 4","description":"Water heating is a major source of energy consumption in the U.S. residential sector. Heat pumps can significantly increase the energy efficiency of water heating. An ejector heat pump (EHP) is a novel, thermally driven heat pump that uses an ejector as a thermocompressor. Choosing suitable working fluids is critical in developing high-performance EHPs. Therefore, this research screens binary fluid pairs (BFPs) for EHPs to produce domestic hot water at a high coefficient of performance (COP). The criteria for screening BFP candidates for EHP water heaters (EHPWHs) are established, and BFP candidates are shortlisted. This study identifies HFE7000, Novec649, HFE7100, HFE7200, and HFE7500 for the primary fluids and RE170, R600a, R600, and R1234ze(Z) for the secondary fluids. The thermodynamic model is employed to investigate the performance of EHPWHs using the shortlisted BFPs under various operating parameters, including the evaporation pressure of the primary working fluid in the high-temperature evaporator and the condensation temperature. In conclusion, the highest heating-cycle COP of 1.328 is achieved by an EHPWH operating with HFE7000/R600 at a condenser temperature of 50 °C and a pressure of 1.69 MPa in the high-temperature evaporator.","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"ASME","journal_name":"Journal of Thermal Science and Engineering Applications","journal_issue":"4","journal_volume":"16","format":"Medium: ED; Size: Article No. 041006","authors":["Wang, Pengtao [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Building Technologies Research and Integration Center (BTRIC); Univ. of Missouri, Columbia, MO (United States)]","Abu-Heiba, Ahmad [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Building Technologies Research and Integration Center (BTRIC)]","Mohammed, Ramy H. [Univ. of Missouri, Columbia, MO (United States)]","Spitzenberger, Jeremy [Univ. of Missouri, Columbia, MO (United States)]","Kowalski, Stephen [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Building Technologies Research and Integration Center (BTRIC)]","Ismael, Laith [Univ. of Missouri, Columbia, MO (United States)]","Ma, Hongbin [Univ. of Missouri, Columbia, MO (United States)]","Nawaz, Kashif [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Building Technologies Research and Integration Center (BTRIC)]"],"subjects":["42 ENGINEERING","binary fluids","ejector heat pump","thermodynamic model","COP","water heater","energy efficiency"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1948-5085","other_identifiers":["Journal ID: ISSN 1948-5085"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311318"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311318"}]}, {"osti_id":"2309719","title":"KBase Narrative - Lachnospiraceae sp. C1.1 genome","doi":"10.25982/171033.8/2309719","product_type":"Dataset","language":"English","country_publication":"United States","description":"Narratives for The phenotype and genotype of fermentative prokaryotes This is the Narrative for Porphyromonadaceae sp. W3.11. A complementary Narrative for Lachnospiraceae sp. C1.1 is available here. This is the Narrative for Lachnospiraceae sp. C1.1. A complementary Narrative for Porphyromonadaceae sp. W3.11 is available here. Background and Isolation This Narrative and its complementary Narrative contain assembly and annotation of two bacterial isolates that were isolated by our laboratory from the rumen of a Holstein heifer. All procedures with animals have been approved by University of California Davis’s Institutional Animal Care and Use Committee. Rumen contents were collected through a rumen fistula and strained through two layers of cheesecloth into a bottle. The bottle was sealed to exclude air and maintained at 39°C. Contents were brought to the laboratory and bubbled under O2-free CO2 within 15 min. At the laboratory, serial dilutions were made with anaerobic dilution solution for Lachnospiraceae sp. C1.1 and propionibacterium diluent for Porphyromonadaceae sp. W3.11 (table S2). Aliquots (0.1 ml) of each dilution were injected into anaerobic bottle plates (1) containing 9 ml of LH medium (table S2). After incubation at 37°C for 7 days, isolated colonies were picked. Lachnospiraceae sp. C1.1 was picked from a bottle inoculated with a 104 dilution of rumen contents, and Porphyromonadaceae sp. W3.11 was picked from a bottle inoculated with a 103 dilution. After initial isolation, these organisms were purified by growing on anaerobic roll tubes (2) and picking isolated colonies. We performed de novo sequencing of Lachnospiraceae sp. C1.1 and Porphyromonadaceae sp. W3.11. Aliquots of liquid culture (9 and 1.5 ml, respectively) were collected by syringe and centrifuged (21,000g for 10 min at 4°C). Cell pellets were submitted to Molecular Research LP for DNA extraction, library preparation, and sequencing. After resuspending pellets in 180 µl of ATL buffer (Qiagen), DNA was extracted using the MagAttract HMW DNA Kit (Qiagen). DNA was eluted in 100 µl of AE buffer (Qiagen) and then cleaned using the DNEasy PowerClean Pro Cleanup Kit (Qiagen). DNA was then sheared using the Covaris g-TUBE (Covaris). Sequencing libraries were prepared using the SMRTbell Express Template Prep Kit 2.0 (Pacific Biosciences) and 1500 ng of the sheared and purified DNA. The SMRTbell libraries were size-selected (>6 Kb) using a BluePippin instrument (Sage Science) and 0.75% agarose gel. Libraries were then sequenced using the PacBio Sequel II (Pacific Biosciences) platform and a 30-hour movie time. Narrative Summary In these Narratives, we filtered low-quality reads using Trimmomatic (v0.36), assembled filtered reads with SPAdes (v3.15.3), and then checked completeness and contamination of the assembled genomes with CheckM (v1.0.18). Statistics for sequencing and assembly are in table S3. Using the assembled contigs (genomes), we called genes and annotated them. Protein-coding genes were called using Prodigal (v2.6.3) (3) locally or using KBase via RASTtk (v1.073), with identical results. Genes were annotated with KO IDs using KAAS (4). They were further annotated with pfam and TIGRFAM IDs using KBase and the Annotate Domains in a Genome app. We classified putative genes for hydrogenases using HydDB. Genes for 16S ribosomal RNA (rRNA) were called using RASTtk (v1.073) in KBase. The contigs (genomes) were analyzed to determine whether they belonged to new species. Taxonomy was assigned using GTDB-Tk (v1.7.0) in KBase. The identity of 16S rRNA genes to other organisms was found using EzBioCloud (5). Values of digital DNA-DNA hybridization (dDDH) were found with Type (Strain) Genome Server (6). These analyses suggest that Lachnospiraceae sp. C1.1 and Porphyromonadaceae sp. W3.11 represent novel species or genera. GTDB-Tk assigned Lachnospiracae sp. C1.1 to family Lachnospiraceae and genus NK4A144, which contains no type strains. It assigned Porphyromonadaceae sp. W3.11 to Porphyromonadaceae and genus Porphyromonas_A. Values of 16S rRNA identity and dDDH with respect to type strains were low (table S4). Although more phenotypic data are needed, available evidence supports assignment of genomes to new species or genera. Related publication Hackmann TJ, Zhang B. The phenotype and genotype of fermentative prokaryotes. Sci Adv. 2023 Sep 29;9(39):eadg8687. doi: 10.1126/sciadv.adg8687. Epub 2023 Sep 27. PMID: 37756392; PMCID: PMC10530074.","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","authors":["Hackmann, Timothy [University of California Davis] (ORCID:0000000164551862)","Zhang, Bo [University of California, Santa Barbara]"],"doe_contract_number":"This work was supported by the United States Department of Agriculture National Institute of Food and Agriculture grant 2018-67015-27495, the United States Department of Agriculture National Institute of Food and Agriculture grant 1019985, and the University of California, Davis Small Grant in Aid of Research.","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"U.S. Department of Energy Systems Biology Knowledgebase"}],"research_orgs":["U.S. Department of Energy Systems Biology Knowledgebase"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309719"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2309719"},{"rel":"citation_doe_dataexplorer","href":"https://www.osti.gov/dataexplorer/biblio/dataset/2309719"}]}, {"osti_id":"2309718","title":"KBase Narrative - Porphyromonadaceae sp. W3.11 genome","doi":"10.25982/171029.13/2309718","product_type":"Dataset","language":"English","country_publication":"United States","description":"Narratives for The phenotype and genotype of fermentative prokaryotes This is the Narrative for Porphyromonadaceae sp. W3.11. A complementary Narrative for Lachnospiraceae sp. C1.1 is available here. This is the Narrative for Lachnospiraceae sp. C1.1. A complementary Narrative for Porphyromonadaceae sp. W3.11 is available here. Background and Isolation This Narrative and its complementary Narrative contain assembly and annotation of two bacterial isolates that were isolated by our laboratory from the rumen of a Holstein heifer. All procedures with animals have been approved by University of California Davis’s Institutional Animal Care and Use Committee. Rumen contents were collected through a rumen fistula and strained through two layers of cheesecloth into a bottle. The bottle was sealed to exclude air and maintained at 39°C. Contents were brought to the laboratory and bubbled under O2-free CO2 within 15 min. At the laboratory, serial dilutions were made with anaerobic dilution solution for Lachnospiraceae sp. C1.1 and propionibacterium diluent for Porphyromonadaceae sp. W3.11 (table S2). Aliquots (0.1 ml) of each dilution were injected into anaerobic bottle plates (1) containing 9 ml of LH medium (table S2). After incubation at 37°C for 7 days, isolated colonies were picked. Lachnospiraceae sp. C1.1 was picked from a bottle inoculated with a 104 dilution of rumen contents, and Porphyromonadaceae sp. W3.11 was picked from a bottle inoculated with a 103 dilution. After initial isolation, these organisms were purified by growing on anaerobic roll tubes (2) and picking isolated colonies. We performed de novo sequencing of Lachnospiraceae sp. C1.1 and Porphyromonadaceae sp. W3.11. Aliquots of liquid culture (9 and 1.5 ml, respectively) were collected by syringe and centrifuged (21,000g for 10 min at 4°C). Cell pellets were submitted to Molecular Research LP for DNA extraction, library preparation, and sequencing. After resuspending pellets in 180 µl of ATL buffer (Qiagen), DNA was extracted using the MagAttract HMW DNA Kit (Qiagen). DNA was eluted in 100 µl of AE buffer (Qiagen) and then cleaned using the DNEasy PowerClean Pro Cleanup Kit (Qiagen). DNA was then sheared using the Covaris g-TUBE (Covaris). Sequencing libraries were prepared using the SMRTbell Express Template Prep Kit 2.0 (Pacific Biosciences) and 1500 ng of the sheared and purified DNA. The SMRTbell libraries were size-selected (>6 Kb) using a BluePippin instrument (Sage Science) and 0.75% agarose gel. Libraries were then sequenced using the PacBio Sequel II (Pacific Biosciences) platform and a 30-hour movie time. Narrative Summary In these Narratives, we filtered low-quality reads using Trimmomatic (v0.36), assembled filtered reads with SPAdes (v3.15.3), and then checked completeness and contamination of the assembled genomes with CheckM (v1.0.18). Statistics for sequencing and assembly are in table S3. Using the assembled contigs (genomes), we called genes and annotated them. Protein-coding genes were called using Prodigal (v2.6.3) (3) locally or using KBase via RASTtk (v1.073), with identical results. Genes were annotated with KO IDs using KAAS (4). They were further annotated with pfam and TIGRFAM IDs using KBase and the Annotate Domains in a Genome app. We classified putative genes for hydrogenases using HydDB. Genes for 16S ribosomal RNA (rRNA) were called using RASTtk (v1.073) in KBase. The contigs (genomes) were analyzed to determine whether they belonged to new species. Taxonomy was assigned using GTDB-Tk (v1.7.0) in KBase. The identity of 16S rRNA genes to other organisms was found using EzBioCloud (5). Values of digital DNA-DNA hybridization (dDDH) were found with Type (Strain) Genome Server (6). These analyses suggest that Lachnospiraceae sp. C1.1 and Porphyromonadaceae sp. W3.11 represent novel species or genera. GTDB-Tk assigned Lachnospiracae sp. C1.1 to family Lachnospiraceae and genus NK4A144, which contains no type strains. It assigned Porphyromonadaceae sp. W3.11 to Porphyromonadaceae and genus Porphyromonas_A. Values of 16S rRNA identity and dDDH with respect to type strains were low (table S4). Although more phenotypic data are needed, available evidence supports assignment of genomes to new species or genera. Related publication Hackmann TJ, Zhang B. The phenotype and genotype of fermentative prokaryotes. Sci Adv. 2023 Sep 29;9(39):eadg8687. doi: 10.1126/sciadv.adg8687. Epub 2023 Sep 27. PMID: 37756392; PMCID: PMC10530074.","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","authors":["Hackmann, Timothy [University of California Davis] (ORCID:0000000164551862)","Zhang, Bo [University of California, Santa Barbara]"],"doe_contract_number":"This work was supported by the United States Department of Agriculture National Institute of Food and Agriculture grant 2018-67015-27495, the United States Department of Agriculture National Institute of Food and Agriculture grant 1019985, and the University of California, Davis Small Grant in Aid of Research.","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"U.S. Department of Energy Systems Biology Knowledgebase"}],"research_orgs":["U.S. Department of Energy Systems Biology Knowledgebase"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309718"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2309718"},{"rel":"citation_doe_dataexplorer","href":"https://www.osti.gov/dataexplorer/biblio/dataset/2309718"}]}, {"osti_id":"2315623","title":"CsO<sub><em>x<\/em><\/sub> Nanostructures on Au(111): Morphology- and Size-dependent Activity for the Water–Gas Shift Reaction","report_number":"BNL-225343-2024-JAAM","doi":"10.1021/acs.jpcc.3c08190","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry. C","description":"Alkali oxides are typically used as promoters of heterogeneous catalysts for the water–gas shift (WGS; H<sub>2<\/sub>O + CO → H<sub>2<\/sub> + CO<sub>2<\/sub>) reaction. On Au(111), CsO<sub>x<\/sub> exhibits diverse nanostructures at varying coverages, as revealed by scanning tunneling microscopy. Clusters of cesium oxide (Cs<sub>2<\/sub>O<sub>2<\/sub>) nucleate at elbow sites of the Au(111) herringbone when θ<sub>Cs<\/sub> is less than 0.1 ML. Subsequently, these clusters transform into two-dimensional (2D) islands (Cs<sub>2<\/sub>O, Cs<sub>2<\/sub>O<sub>2<\/sub>, CsO<sub>2<\/sub>) as the cesium coverage increases (θ<sub>Cs<\/sub> > 0.1 ML). Both types of CsO<sub>x<\/sub> nanostructures enable the WGS process on Au(111). The highest activity was seen for the cesium oxide clusters which facilitated the partial dissociation of water and binding of CO. The CO<sub>ads<\/sub> and OH<sub>ads<\/sub> groups were not strongly bound and probably reacted to yield a short-lived HOCO intermediate that led to gaseous H<sub>2<\/sub> and CO<sub>2<\/sub>. The 2D islands of CsO<sub>x<\/sub> also enabled the WGS but their efficiency was reduced due to the formation of cesium hydroxide compounds (limiting mobility of OH groups) and the generation of CO<sub>3<\/sub> and C species (blocking of active centers). The fact that the performance of the CsO<sub>x<\/sub>/Au(111) catalysts changed dramatically with variations in the chemical properties of the CsO<sub>x<\/sub> nanostructures indicates that the alkali oxide was an integral part of the active phase, playing a central role in the activation and conversion of the reactants. To attach the label of “promoter” to CsO<sub>x<\/sub> is a simplification that does not help in the design and optimization of catalysts for C1 chemistry. In conclusion, to achieve a rational design, one must consider the structural and chemical properties of the alkali oxide.","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry. C","format":"Medium: ED","authors":["Shi, Rui [Stony Brook Univ., NY (United States)]","Ramírez, Pedro J. [Universidad Central de Venezuela, Caracas (Venezuela); Zoneca-CENEX, R&D Laboratories, Monterrey (México)]","Rosales, Rina [Stony Brook Univ., NY (United States)]","Mahapatra, Mausumi [Brookhaven National Laboratory (BNL), Upton, NY (United States); Loyola University Chicago, IL (United States)]","Rui, Ning [Brookhaven National Laboratory (BNL), Upton, NY (United States)] (ORCID:0000000162347075)","Rodriguez, José A. [Stony Brook Univ., NY (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)] (ORCID:0000000256804214)"],"subjects":["36 MATERIALS SCIENCE","Water-gas Shift","Hydrogen production","Cesium oxide","Gold"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0012704","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)"],"journal_issn":"ISSN 1932-7447","other_identifiers":["Journal ID: ISSN 1932-7447"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315623"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315623"}]}, {"osti_id":"2309800","title":"Intervalence Charge Transfer in Nonbonding, Mixed-Valence, Homobimetallic Ytterbium Complexes","doi":"10.1021/jacs.3c13906","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society Journal Volume: 146 Journal Issue: 8","description":"There are several reports of compounds containing lanthanide ions in two different formal oxidation states; however, there are strikingly few examples of intervalence charge transfer (IVCT) transitions observed for these complexes, with those few occurrences limited to extended solids rather than molecular species. Herein, we report the synthesis, characterization, and computational analysis for a series of ytterbium complexes including a mixed-valence Yb<sub>2<\/sub><sup>5+<\/sup> complex featuring a remarkably short Yb···Yb distance of 2.9507(8) Å. In contrast to recent reports of short Ln···Ln distances attributed to bonding through 5d orbitals, the formally Yb<sub>2<\/sub><sup>5+<\/sup> complex presented here displays clear localization of Ln<sup>2+<\/sup> and Ln<sup>3+<\/sup> character and yet still displays an IVCT in the visible spectrum. These results demonstrate the ability to tune the electronic structure of formally mixed oxidation state lanthanide complexes: the high exchange stabilization of the Yb<sup>2+<\/sup> 4f<sup>14<\/sup> configuration disfavors the formation of a 5d<sup>1<\/sup> bonding configuration, and the short metal–metal distance enforced by the ligand framework allows for the first observed lanthanide IVCT in a molecular system.","publication_date":"2024-02-19T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of the American Chemical Society","journal_issue":"8","journal_volume":"146","format":"Medium: X; Size: p. 5560-5568","authors":["Roy, Michael D. [School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States] (ORCID:0000000246139361)","Gompa, Thaige P. [School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States]","Greer, Samuel M. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States] (ORCID:0000000182253252)","Jiang, Ningxin [School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States]","Nassar, Lila S. [School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States]","Steiner, Alexander [Department of Chemistry, University of Liverpool, Liverpool L69 7Zd, United Kingdom] (ORCID:0000000243156123)","Bacsa, John [School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States] (ORCID:0000000156814458)","Stein, Benjamin W. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States] (ORCID:0000000203665476)","La Pierre, Henry S. [School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States, Nuclear and Radiological Engineering Program, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States, Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States] (ORCID:0000000208950655)"],"subjects":["Charge transfer","Energy","Ions","Lanthanides","Ligands"],"article_type":"Published Article","doe_contract_number":"AC02-76SF00515; 20230399ER; 89233218CNA000001; SC-0018660; SC0019385; 2020LANLE372; SC0018660; CHE-2246913","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE National Nuclear Security Administration (NNSA)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Georgia Institute of Technology, Atlanta, GA (United States)"}],"research_orgs":["Georgia Institute of Technology, Atlanta, GA (United States)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309800"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309800"}]}, {"osti_id":"2308883","title":"Large‐Area, High‐Numerical‐Aperture, Freeform Metasurfaces","doi":"10.1002/lpor.202300988","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Laser & Photonics Reviews","description":"<title>Abstract<\/title>\n <p>Nanophotonic devices are optical platforms capable of unprecedented wavefront control. To push the limits of experimental device performance, scalable design methodologies that combine the simplicity and fabricability of conventional design paradigms with the extended capabilities of freeform optimization are required. A novel gradient‐based design framework for large‐area freeform metasurfaces is introduced in which nonlocal interactions between simply shaped nanostructures, placed on an irregular lattice, are tailored to produce high‐order hybridized modes that support customizable large‐angle scattering profiles. Utilizing this approach, multifunctional super‐dispersive metalenses are designed and experimentally demonstrated. The approach to high‐numerical‐aperture radial metalenses capable of diffraction limited focusing and the generation of donut‐shaped point spread functions is also extended. It is anticipated that these concepts will have utility in super‐resolution microscopy, particle trapping, additive manufacturing, and metrology applications that require ultra‐high numerical apertures.<\/p>","publication_date":"2024-02-17T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Laser & Photonics Reviews","format":"Medium: X","authors":["Zhou, You [Department of Electrical Engineering Stanford University Stanford CA 94305 USA] (ORCID:0000000258102347)","Mao, Chenkai [Department of Electrical Engineering Stanford University Stanford CA 94305 USA]","Gershnabel, Erez [Department of Electrical Engineering Stanford University Stanford CA 94305 USA, Israel Aerospace Industries Ben Gurion International Airport Lod 7010000 Israel]","Chen, Mingkun [Department of Electrical Engineering Stanford University Stanford CA 94305 USA]","Fan, Jonathan A. [Department of Electrical Engineering Stanford University Stanford CA 94305 USA] (ORCID:0000000198169979)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1863-8880","other_identifiers":["Journal ID: ISSN 1863-8880; 2300988"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308883"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308883"}]}, {"osti_id":"2316065","title":"Estimation of Surface Sensible Heat Flux due to Precipitation over CONUS and Its Impact on Urban Extreme Precipitation Modeling","doi":"10.1175/JHM-D-23-0068.1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Hydrometeorology Journal Volume: 25 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n The surface sensible heat flux induced by precipitation (\n <italic>\n Q\n <sub>P<\/sub>\n <\/italic>\n ) is a consequence of the temperature difference between the surface and the rain droplets. Despite its seemingly negligible nature,\n <italic>\n Q\n <sub>P<\/sub>\n <\/italic>\n is frequently omitted from both meteorological and climatological models. Nevertheless, it is important to acknowledge the numerous occasions in which the instantaneous values of\n <italic>\n Q\n <sub>P<\/sub>\n <\/italic>\n can be significant, particularly during extreme precipitation events. This study undertakes a comprehensive assessment of\n <italic>\n Q\n <sub>P<\/sub>\n <\/italic>\n across the contiguous United States (CONUS) utilizing high-resolution reanalysis, observational data, and numerical modeling to examine the influence of\n <italic>\n Q\n <sub>P<\/sub>\n <\/italic>\n on precipitation and the surface energy budget. The findings indicate that the spatial distribution of\n <italic>\n Q\n <sub>P<\/sub>\n <\/italic>\n climatology is analogous to that of precipitation, with magnitudes ranging from 2 to 3 W m\n <sup>−2<\/sup>\n predominantly over the Midwest and Southeast regions. A seasonal analysis of\n <italic>\n Q\n <sub>P<\/sub>\n <\/italic>\n reveals that the highest values occurring during the June–August (JJA) period, averaging 3.18 W m\n <sup>−2<\/sup>\n . Peak\n <italic>\n Q\n <sub>P<\/sub>\n <\/italic>\n values of approximately 4 W m\n <sup>−2<\/sup>\n are observed during JJA over the Great Plains region. We hypothesize that the\n <italic>\n Q\n <sub>P<\/sub>\n <\/italic>\n during an extreme precipitation event would be nonnegligible and have a significant impact on the local weather. To test this conjecture, we perform high-resolution simulations with and without\n <italic>\n Q\n <sub>P<\/sub>\n <\/italic>\n during an extreme precipitation event over the Chicago Metropolitan Area (CMA). The results show that the\n <italic>\n Q\n <sub>P<\/sub>\n <\/italic>\n may be a dominant factor compared to other components of surface heat flux during the zenith of precipitation hours. Also,\n <italic>\n Q\n <sub>P<\/sub>\n <\/italic>\n has the potential to not only diminish precipitation but also alter and reconfigure the remaining surface energy budget components.\n <\/p>","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Meteorological Society","journal_name":"Journal of Hydrometeorology","journal_issue":"3","journal_volume":"25","format":"Medium: X; Size: p. 413-424","authors":["Tan, Haochen [a Environmental Science Division (EVS), Argonne National Laboratory, Lemont, Illinois] (ORCID:0000000263836003)","Kotamarthi, Rao [a Environmental Science Division (EVS), Argonne National Laboratory, Lemont, Illinois]","Ray, Pallav [b Meteorology, Florida Institute of Technology, Melbourne, Florida]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1525-755X","other_identifiers":["Journal ID: ISSN 1525-755X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316065"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316065"}]}, {"osti_id":"2309688","title":"Phase stability of a eutectic high entropy alloy under extremes of pressures and temperatures","doi":"10.1063/5.0188644","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: AIP Advances; Journal Volume: 14; Journal Issue: 2","description":"Additively manufactured high-entropy alloys are of interest because of their unique combination of high yield strength and large ductility achieved with far-from-equilibrium crystalline phases and micro/nanostructure morphology. We report on the phase transformation and thermal equation of state of the eutectic high-entropy alloy (EHEA) Al<sub>18<\/sub>Co<sub>20<\/sub>Cr<sub>10<\/sub>Fe<sub>10<\/sub>Ni<sub>40<\/sub>W<sub>2<\/sub>, produced by laser powder-bed fusion (L-PBF). The EHEA was studied in a large-volume Paris–Edinburgh cell using energy-dispersive x-ray diffraction to a pressure of 5.5 GPa and a temperature of 1723 K. Static compression studies in diamond anvil cells using angle-dispersive x-ray diffraction extended the high-pressure structural data to 317 GPa at ambient temperature. The initial dual-phase nanolamellar face-centered cubic (FCC) and body-centered cubic (BCC) structure of Al<sub>18<\/sub>Co<sub>20<\/sub>Cr<sub>10<\/sub>Fe<sub>10<\/sub>Ni<sub>40<\/sub>W<sub>2<\/sub> transforms into a single FCC phase under high pressure, with the BCC-to-FCC phase transformation completing at 9 ± 2 GPa. The FCC phase remained stable up to the highest pressure of 317 GPa. The measured thermal equation of state for the FCC phase of Al<sub>18<\/sub>Co<sub>20<\/sub>Cr<sub>10<\/sub>Fe<sub>10<\/sub>Ni<sub>40<\/sub>W<sub>2<\/sub> is presented up to 5.5 GPa and 1473 K. We observed melting of the EHEA at 1698 ± 25 K at a pressure of 5.5 GPa, and the recrystallized sample shows an increased fraction of the CsCl-type (B2) phase at ambient conditions following release from the high-pressure high-temperature state. The BCC-to-FCC phase transition completion pressure is correlated with the nanolamellae thickness of the BCC layer in this diffusion-less transformation at ambient temperature.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"AIP Advances","journal_issue":"2","journal_volume":"14","format":"Medium: ED; Size: Article No. 025239","authors":["Pope, Andrew D. [Univ. of Alabama, Birmingham, AL (United States)] (ORCID:0000000205262021)","Iwan, Seth [Univ. of Alabama, Birmingham, AL (United States)] (ORCID:0000000331204172)","Clay, Matthew P. [Univ. of Alabama, Birmingham, AL (United States)] (ORCID:0000000233709572)","Ren, Jie [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0000000265907709)","Yang, Wuxian [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:000900072391527X)","Chen, Wen [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0000000320481107)","Vohra, Yogesh K. [Univ. of Alabama, Birmingham, AL (United States)] (ORCID:0000000227763695)"],"subjects":["36 MATERIALS SCIENCE","extreme conditions","high-entropy alloys","additive manufacturing","phase transitions","thermal equation of state"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0004154; AC02-06CH11357","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Univ. of Alabama, Birmingham, AL (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)"}],"research_orgs":["Univ. of Alabama, Birmingham, AL (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)"],"journal_issn":"ISSN 2158-3226","other_identifiers":["Journal ID: ISSN 2158-3226"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309688"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2309688"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309688"}]}, {"osti_id":"2311030","title":"Metal-Complex Inks for Lower Cost and Improved Passivation for Silicon Photovoltaic Metallization","doi":"10.52825/siliconpv.v1i.853","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: SiliconPV Conference Proceedings Journal Volume: 1","description":"<p>This contribution introduces the silicon PV community to screen-printable metal-complex inks that potentially will reduce Ag usage in Si PV metallization to one-quarter and costs to one-third that of traditional particle-based pastes while also improving passivation. Metal-complex inks are formulated using a Tollen’s reaction to produce inks with a high percentage of diamminesilver (I) cations (22 wt %) in a solution of acetate and formate anions. When printed and dried, labile ammonia ligands evaporate, leaving behind silver cations which, when reduced by formate anions and acetic acid, plate out silver and silver acetate. When annealed to just 300 °C a dense metallic silver film forms with excellent conductivity, and adhesion to silicon. When compared to traditional particle-based screen-printing pastes, the metal-complex inks are much denser, have higher conductivity, use less Ag, and are a fraction of the cost. Importantly, the inks anneal from 90 – 450 °C allowing for improved passivation schemes compared with fired SiNx. This contribution highlights first experiments on the improved passivation of metallized poly-Si/SiO2 passivated contacts using metal-complex Ag inks.<\/p>","publication_date":"2024-02-22T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"TIB Open Publishing","journal_name":"SiliconPV Conference Proceedings","journal_volume":"1","format":"Medium: X","authors":["Young, David L. (ORCID:0000000340970493)","Nemeth, William","Page, Matthew","Kaupa, Markus","Guthrey, Harvey","Theingi, San","LeMieux, Melbs"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2940-2123","other_identifiers":["Journal ID: ISSN 2940-2123"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311030"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311030"}]}, {"osti_id":"2317775","title":"Advanced manufacturing and digital twin technology for nuclear energy*","doi":"10.3389/fenrg.2024.1339836","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Frontiers in Energy Research; Journal Volume: 12","description":"Advanced manufacturing techniques and digital twin technology are rapidly transforming the nuclear industry, offering the potential to enhance productivity, safety, and cost-effectiveness. Customized parts are being produced using additive manufacturing, automation, and robotics, while digital twin technology enables the virtual modeling and optimization of complex systems. These advanced technologies can significantly improve operational efficiency, predict system behavior, and optimize maintenance schedules in the nuclear energy sector, leading to heightened safety and reduced downtime. However, the nuclear industry demands the highest levels of safety and security, as well as intricate manufacturing processes and operations. Thus, challenges such as data management and cybersecurity must be addressed to fully realize the potential of advanced manufacturing techniques and digital twin technology in the nuclear industry. This comprehensive review highlights the critical role of digital twin technology with advanced manufacturing toward nuclear energy to improve performance, minimize downtime, and heighten safety, ultimately contributing to the global energy mix by providing dependable and low-carbon electricity.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Frontiers Research Foundation","journal_name":"Frontiers in Energy Research","journal_volume":"12","format":"Medium: ED; Size: Article No. 1339836","authors":["Mondal, Kunal [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000316657755)","Martinez, Oscar [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000181814046)","Jain, Prashant [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000170552386)"],"subjects":["advanced manufacturing","additive manufacturing","automation","robotics","digital twin technology","cost-effectiveness","nuclear energy"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE), Office of Spent Fuel and Waste Disposition"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE), Office of Spent Fuel and Waste Disposition"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2296-598X","other_identifiers":["Journal ID: ISSN 2296-598X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317775"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2317775"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317775"}]}, {"osti_id":"2320390","title":"Evaluating county-level lung cancer incidence from environmental radiation exposure, PM<sub>2.5<\/sub>, and other exposures with regression and machine learning models","doi":"10.1007/s10653-023-01820-4","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Environmental Geochemistry and Health; Journal Volume: 46","description":"Characterizing the interplay between exposures shaping the human exposome is vital for uncovering the etiology of complex diseases. For example, cancer risk is modified by a range of multifactorial external environmental exposures. Environmental, socioeconomic, and lifestyle factors all shape lung cancer risk. However, epidemiological studies of radon aimed at identifying populations at high risk for lung cancer often fail to consider multiple exposures simultaneously. For example, moderating factors, such as PM<sub>2.5<\/sub>, may affect the transport of radon progeny to lung tissue. This ecological analysis leveraged a population-level dataset from the National Cancer Institute’s Surveillance, Epidemiology, and End-Results data (2013–17) to simultaneously investigate the effect of multiple sources of low-dose radiation (gross γ activity and indoor radon) and PM<sub>2.5<\/sub> on lung cancer incidence rates in the USA. County-level factors (environmental, sociodemographic, lifestyle) were controlled for, and Poisson regression and random forest models were used to assess the association between radon exposure and lung and bronchus cancer incidence rates. Tree-based machine learning (ML) method perform better than traditional regression: Poisson regression: 6.29/7.13 (mean absolute percentage error, MAPE), 12.70/12.77 (root mean square error, RMSE); Poisson random forest regression: 1.22/1.16 (MAPE), 8.01/8.15 (RMSE). The effect of PM<sub>2.5<\/sub> increased with the concentration of environmental radon, thereby confirming findings from previous studies that investigated the possible synergistic effect of radon and PM<sub>2.5<\/sub> on health outcomes. In summary, the results demonstrated (1) a need to consider multiple environmental exposures when assessing radon exposure’s association with lung cancer risk, thereby highlighting (1) the importance of an exposomics framework and (2) that employing ML models may capture the complex interplay between environmental exposures and health, as in the case of indoor radon exposure and lung cancer incidence.","publication_date":"2024-02-17T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Springer","journal_name":"Environmental Geochemistry and Health","journal_volume":"46","format":"Medium: ED; Size: Article No. 82","authors":["Lee, Heechan [Georgia Institute of Technology, Atlanta, GA (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Hanson, Heidi A. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Logan, Jeremy [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000315293048)","Maguire, Dakotah [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Kapadia, Anuj [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000327554495)","Dewji, Shaheen [Georgia Institute of Technology, Atlanta, GA (United States)] (ORCID:0000000236995877)","Agasthya, Greeshma [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000223015964)"],"subjects":["ionizing radiation","lung cancer","radon","exposome","PM2.5"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0269-4042","other_identifiers":["Journal ID: ISSN 0269-4042"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320390"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2320390"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320390"}]}, {"osti_id":"2308887","title":"Leveraging graph clustering techniques for cyber‐physical system analysis to enhance disturbance characterisation","report_number":"SAND-2024-01979J","doi":"10.1049/cps2.12087","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: IET Cyber-Physical Systems: Theory & Applications","description":"<title>Abstract<\/title>\n <p>Cyber‐physical systems have behaviour that crosses domain boundaries during events such as planned operational changes and malicious disturbances. Traditionally, the cyber and physical systems are monitored separately and use very different toolsets and analysis paradigms. The security and privacy of these cyber‐physical systems requires improved understanding of the combined cyber‐physical system behaviour and methods for holistic analysis. Therefore, the authors propose leveraging clustering techniques on cyber‐physical data from smart grid systems to analyse differences and similarities in behaviour during cyber‐, physical‐, and cyber‐physical disturbances. Since clustering methods are commonly used in data science to examine statistical similarities in order to sort large datasets, these algorithms can assist in identifying useful relationships in cyber‐physical systems. Through this analysis, deeper insights can be shared with decision‐makers on what cyber and physical components are strongly or weakly linked, what cyber‐physical pathways are most traversed, and the criticality of certain cyber‐physical nodes or edges. This paper presents several types of clustering methods for cyber‐physical graphs of smart grid systems and their application in assessing different types of disturbances for informing cyber‐physical situational awareness. The collection of these clustering techniques provide a foundational basis for cyber‐physical graph interdependency analysis.<\/p>","publication_date":"2024-02-17T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Institution of Engineering and Technology (IET)","journal_name":"IET Cyber-Physical Systems: Theory & Applications","format":"Medium: X","authors":["Jacobs, Nicholas [Cyber Resilience R&,D Sandia National Laboratories Albuquerque New Mexico USA]","Hossain‐McKenzie, Shamina [Cyber Resilience R&,D Sandia National Laboratories Albuquerque New Mexico USA] (ORCID:0000000230858193)","Sun, Shining [Electrical and Computer Engineering Texas A&,M University College Station Texas USA]","Payne, Emily [J. Mike Walker ’66 Department of Mechanical Engineering Texas A&,M University College Station Texas USA]","Summers, Adam [Electric Power Research Sandia National Laboratories Albuquerque New Mexico USA]","Al‐Homoud, Leen [Electrical and Computer Engineering Texas A&,M University College Station Texas USA]","Layton, Astrid [J. Mike Walker ’66 Department of Mechanical Engineering Texas A&,M University College Station Texas USA]","Davis, Kate [Electrical and Computer Engineering Texas A&,M University College Station Texas USA]","Goes, Chris [Cyber Resilience R&,D Sandia National Laboratories Albuquerque New Mexico USA]"],"subjects":["critical infrastructures","cyber-physical systems","data analysis","decision making","directed graphs","graph theory","hardware-in-the loop simulation","power system security"],"article_type":"Published Article","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 2398-3396","other_identifiers":["Journal ID: ISSN 2398-3396; cps2.12087"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308887"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308887"}]}, {"osti_id":"2311286","title":"Local Markers for Crystalline Topology","report_number":"SAND-2024-01978J","doi":"10.1103/physrevlett.132.073803","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters; Journal Volume: 132; Journal Issue: 7","description":"Over the last few years, crystalline topology has been used in photonic crystals to realize edge- and corner-localized states that enhance light-matter interactions for potential device applications. However, the band-theoretic approaches currently used to classify bulk topological crystalline phases cannot predict the existence, localization, or spectral isolation of any resulting boundary-localized modes. While interfaces between materials in different crystalline phases must have topological states at some energy, these states need not appear within the band gap, and thus may not be useful for applications. Here, we derive a class of local markers for identifying material topology due to crystalline symmetries, as well as a corresponding measure of topological protection. As our real-space-based approach is inherently local, it immediately reveals the existence and robustness of topological boundary-localized states, yielding a predictive framework for designing topological crystalline heterostructures. In conclusion, beyond enabling the optimization of device geometries, we anticipate that our framework will also provide a route forward to deriving local markers for other classes of topology that are reliant upon spatial symmetries.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review Letters","journal_issue":"7","journal_volume":"132","format":"Medium: ED; Size: Article No. 073803","authors":["Cerjan, Alexander [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000243627300)","Loring, Terry A. [Univ. of New Mexico, Albuquerque, NM (United States)] (ORCID:0000000313796047)","Schulz-Baldes, Hermann [Freidrich Alexander Univ. Erlangen-Nürnberg (FAU), Erlangen (Germany)] (ORCID:0000000303044140)"],"subjects":["74 ATOMIC AND MOLECULAR PHYSICS"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525; DMS-2110398; SCHU 1358/8-1","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"National Science Foundation (NSF)"},{"name":"German Research Foundation (DFG)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","USDOE Laboratory Directed Research and Development (LDRD) Program","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","USDOE National Nuclear Security Administration (NNSA)","National Science Foundation (NSF)","German Research Foundation (DFG)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0031-9007","other_identifiers":["Journal ID: ISSN 0031-9007"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311286"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311286"}]}, {"osti_id":"2309757","title":"Nodal superconductivity in miassite Rh<sub>17<\/sub>S<sub>15<\/sub>","report_number":"IS-J-11,268","doi":"10.1038/s43246-024-00456-w","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Communications Materials; Journal Volume: 5; Journal Issue: 1","description":"Solid state chemistry has produced a plethora of materials with properties not found in nature. For example, high-temperature superconductivity in cuprates is drastically different from the superconductivity of naturally occurring metals and alloys and is frequently referred to as unconventional. Unconventional superconductivity is also found in other synthetic compounds, such as iron-based and heavy-fermion superconductors. Here, we report compelling evidence of unconventional nodal superconductivity in synthetic samples of Rh<sub>17<\/sub>S<sub>15<\/sub> (T<sub>c<\/sub> = 5.4 K), which is also found in nature as the mineral miassite. We investigated the temperature-dependent variation of the London penetration depth Δλ(T) and the disorder evolution of the critical superconducting temperature T<sub>c<\/sub> and the upper critical field H<sub>c2<\/sub>(T) in single crystalline Rh<sub>17<\/sub>S<sub>15<\/sub>. We found a T - linear temperature variation of Δλ(T) below 0.3T<sub>c<\/sub>, which is consistent with the presence of nodal lines in the superconducting gap of Rh<sub>17<\/sub>S<sub>15<\/sub>. The nodal character of the superconducting state is supported by the observed suppression of T<sub>c<\/sub> and H<sub>c2<\/sub>(T) in samples with a controlled level of non-magnetic disorder introduced by 2.5 MeV electron irradiation. We propose a nodal sign-changing superconducting gap in the A<sub>1g<\/sub> irreducible representation, which preserves the cubic symmetry of the crystal and is in excellent agreement with the derived superfluid density. To the best of our knowledge, this establishes miassite as the only mineral known so far that reveals unconventional superconductivity in its clean synthetic form, though it is unlikely that it is present in natural crystals because of unavoidable impurities that quickly destroy nodal superconductivity.","publication_date":"2024-02-17T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Springer Nature","journal_name":"Communications Materials","journal_issue":"1","journal_volume":"5","format":"Medium: ED; Size: Article No. 17","authors":["Kim, Hyunsoo [Missouri Univ. of Science and Technology, Rolla, MO (United States); Ames Lab., and Iowa State Univ., Ames, IA (United States)]","Tanatar, Makariy A. [Ames Lab., and Iowa State Univ., Ames, IA (United States)] (ORCID:0000000321299833)","Kończykowski, Marcin [Alternative Energies and Atomic Energy Commission (CEA) (France). Laboratoire des Solides Irradiés; École Polytechnique (France); Centre National de la Recherche Scientifique (CNRS) (France); Institut Polytechnique de Paris, Palaiseau (France)]","Grasset, Romain [Alternative Energies and Atomic Energy Commission (CEA) (France). Laboratoire des Solides Irradiés; École Polytechnique (France); Centre National de la Recherche Scientifique (CNRS) (France); Institut Polytechnique de Paris, Palaiseau (France)] (ORCID:0000000347698947)","Kaluarachchi, Udhara S. [Ames Lab., and Iowa State Univ., Ames, IA (United States)]","Teknowijoyo, Serafim [Ames Lab., and Iowa State Univ., Ames, IA (United States)]","Cho, Kyuil [Hope College, Holland, MI (United States); \tAmes Lab., and Iowa State Univ., Ames, IA (United States)] (ORCID:0000000321116355)","Sapkota, Aashish [Ames Lab., and Iowa State Univ., Ames, IA (United States)]","Wilde, John M. [Ames Lab., and Iowa State Univ., Ames, IA (United States)]","Krogstad, Matthew J. [Argonne National Lab., Idaho Falls, ID (United States)] (ORCID:0000000285055945)","Bud’ko, Sergey L. [Ames Lab., and Iowa State Univ., Ames, IA (United States)] (ORCID:0000000236035585)","Brydon, Philip R. [University of Otago, Dunedin (New Zealand)] (ORCID:0000000188540623)","Canfield, Paul C. [Ames Lab., and Iowa State Univ., Ames, IA (United States)]","Prozorov, Ruslan [Ames Lab., and Iowa State Univ., Ames, IA (United States)] (ORCID:0000000280886096)"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358; AC02-06CH11357","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)"],"journal_issn":"ISSN 2662-4443","other_identifiers":["Journal ID: ISSN 2662-4443"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309757"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2309757"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309757"}]}, {"osti_id":"2315661","title":"Direct measurement of the effective properties of an additively manufactured titanium octet truss unit cell using high energy X-ray diffraction","report_number":"LA-UR-23-29235","doi":"10.1016/j.matchar.2024.113755","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Materials Characterization; Journal Volume: 209","description":"Additively manufactured lattice structures offer a high specific strength-to-density ratio in comparison to conventional, fully dense parts. The small feature size and intricate geometry of lattice structures make it challenging to directly characterize their mechanical properties. This study presents direct measurement of the elastic mechanical properties of an additively manufactured titanium alloy octet truss unit cell. Strut stress and strain were measured using high-energy X-ray diffraction during quasi-static compressive loading. The crystallographic stress-strain relationship was converted into the stress-strain relationship of the octet truss lattice unit cell using the known symmetry of the struts. The sample studied herein was best fit by an orthorhombic linear elastic stress-strain relationship. In conclusion, this technique shows promise for studying additively manufactured lattice structures at length scales not previously reported.","publication_date":"2024-02-17T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Elsevier","journal_name":"Materials Characterization","journal_volume":"209","format":"Medium: ED; Size: Article No. 113755","authors":["Johnson, Nathan S. [Colorado School of Mines, Golden, CO (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)]","Strantza, Maria [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Matthews, Manyalibo J. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Park, Jun-Sang [Argonne National Laboratory (ANL), Argonne, IL (United States)]","Kenesei, Peter [Argonne National Laboratory (ANL), Argonne, IL (United States)]","Clausen, Bjørn [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:000000033906846X)","Brown, Donald William [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000345658212)","Carpenter, John S. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:000000018821043X)","Brice, Craig A. [Colorado School of Mines, Golden, CO (United States)]","Stebner, Aaron P. [Georgia Institute of Technology, Atlanta, GA (United States)]"],"subjects":["36 MATERIALS SCIENCE","Octet truss","Lattices","Octet truss lattice","Additive manufacturing","Advanced characterization","X-ray","Diffraction","X-ray diffraction","Synchrotron","In situ","Mechanical","Mechanical characterization"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001; AC02-06CH11357; AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)"],"journal_issn":"ISSN 1044-5803","other_identifiers":["Journal ID: ISSN 1044-5803"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315661"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315661"}]}, {"osti_id":"2305776","title":"Synergistic effects of W–Ta alloys exposed to various ELM-like fusion events","doi":"10.1088/1741-4326/ad249c","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion Journal Volume: 64 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>\n Recently tungsten alloys have shown capabilities in suppressing morphological changes when exposed to harsh fusion conditions. Morphological changes due to He\n <sup>+<\/sup>\n and D\n <sup>+<\/sup>\n ions at high temperatures (1000–2000 K) can lead to easier erosion and sputtering of tungten (W) particles towards quenching the fusion plasma. This study investigated W–3Ta alloy as potential plasma facing materials (PFMs) exposed to different edge-localized mode (ELM)-like energies and ion loadings. Performance of W–3Ta has been tested as a function of ELM-like energies (0.6–1.5 GW m\n <sup>−2<\/sup>\n ) and varying He\n <sup>+<\/sup>\n and D\n <sup>+<\/sup>\n ion concentrations (100% He\n <sup>+<\/sup>\n , 50% He\n <sup>+<\/sup>\n :50% D\n <sup>+<\/sup>\n ,10% He\n <sup>+<\/sup>\n :90% D\n <sup>+<\/sup>\n (similar ELM-like reactor condition), and 100% D\n <sup>+<\/sup>\n ions). Early-stage fuzz formation and surface pores were observed during 100% He\n <sup>+<\/sup>\n ion irradiation and mixed ion loadings but not observed during 100% D\n <sup>+<\/sup>\n ion loadings. Pores decreased in quantity and increased in size with increasing transient heat loading. Grain boundaries acted as trapping sites of helium and deuterium atoms during dual beam ion irradiations, as observed through increased pore size along the grain boundary. Qualitative erosion estimates were measured using witness plates. Increased erosion was observed with increasing D\n <sup>+<\/sup>\n ion concentration, which is attributed to D supersaturation in the near surface region affecting thermal and mechanical properties. More erosion was observed for W–3Ta samples compared to pure W, evident through large (>10\n <italic>µ<\/italic>\n m) cracks on the surface, and an increase in W metal x-ray photoelectron spectroscopy peaks under similar loading conditions. The slight enhancement in erosion is attributed to the slightly decreased thermal properties, ∼10% thermal diffusivity drop, of W–3Ta at high temperatures. The damage threshold was impacted by ion loading, where distinct cracking was observed for 100% He\n <sup>+<\/sup>\n at a lower heat loading. This matrix study using reactor-like loading supports the need for extensive studies on future W alloy PFMs before selecting one as an alternative.\n <\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","journal_issue":"4","journal_volume":"64","format":"Medium: X; Size: Article No. 046001","authors":["Ray, Tyler E. (ORCID:0000000199995156)","Tripathi, Jitendra Kumar (ORCID:0000000162201869)","Hassanein, Ahmed (ORCID:0009000452637801)"],"article_type":"Published Article","doe_contract_number":"SC0022993","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305776"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305776"}]}, {"osti_id":"2317706","title":"Impacts of humic substances, elevated temperature, and UVB radiation on bacterial communities of the marine sponge\n <i>Chondrilla<\/i>\n sp","doi":"10.1093/femsec/fiae022","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: FEMS Microbiology Ecology (Online) Journal Volume: 100 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Sponges are abundant components of coral reefs known for their filtration capabilities and intricate interactions with microbes. They play a crucial role in maintaining the ecological balance of coral reefs. Humic substances (HS) affect bacterial communities across terrestrial, freshwater, and marine ecosystems. However, the specific effects of HS on sponge-associated microbial symbionts have largely been neglected. Here, we used a randomized-controlled microcosm setup to investigate the independent and interactive effects of HS, elevated temperature, and UVB radiation on bacterial communities associated with the sponge Chondrilla sp. Our results indicated the presence of a core bacterial community consisting of relatively abundant members, apparently resilient to the tested environmental perturbations, alongside a variable bacterial community. Elevated temperature positively affected the relative abundances of ASVs related to Planctomycetales and members of the families Pseudohongiellaceae and Hyphomonadaceae. HS increased the relative abundances of several ASVs potentially involved in recalcitrant organic matter degradation (e.g., the BD2-11 terrestrial group, Saccharimonadales, and SAR202 clade). There was no significant independent effect of UVB and there were no significant interactive effects of HS, heat, and UVB on bacterial diversity and composition. The significant, independent impact of HS on the composition of sponge bacterial communities suggests that alterations to HS inputs may have cascading effects on adjacent marine ecosystems.<\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Oxford University Press","journal_name":"FEMS Microbiology Ecology (Online)","journal_issue":"3","journal_volume":"100","format":"Medium: X","authors":["Stuij, Tamara M. (ORCID:0000000152170798)","Cleary, Daniel F. R. (ORCID:0000000261433390)","Rocha, Rui J. M.","Polónia, Ana R. M.","Silva, Davide A. M.","Louvado, Antonio (ORCID:0000000225791000)","de Voogd, Nicole J.","Gomes, Newton C. M."],"article_type":"Published Article","doe_contract_number":"SFRH/BPD/117 563/2016","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE), Nuclear Fuel Cycle and Supply Chain"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE), Nuclear Fuel Cycle and Supply Chain"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1574-6941","other_identifiers":["Journal ID: ISSN 1574-6941; fiae022"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317706"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317706"}]}, {"osti_id":"2310420","title":"Addressing the climate crisis through engineering biology","doi":"10.1038/s44168-023-00089-8","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: npj Climate Action Journal Volume: 3 Journal Issue: 1","description":"As the climate crisis deepens and the impacts are felt more often and more acutely worldwide, scientific, engineering, and policy communities need more tools and opportunities to make a difference in tackling climate challenges. The Engineering Biology Research Consortium (EBRC) has recently published a technical research roadmap, Engineering Biology for Climate & Sustainability, that describes and details short-, medium-, and long-term milestones for engineering biology tool and technology advancements that can be applied to mitigate, prevent, and adapt to climate change. These ambitious technical achievements can only be realized in the context of complementary research, policy, and investment and in combination with efforts from many other disciplines and approaches. Herein we illustrate the opportunities, as described by the roadmap, in engineering biology research and development to impact climate change and long-term environmental sustainability, and why and how engineering biology and subsequent biotechnologies should be among the most prominent of approaches to overcoming the climate crisis.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"npj Climate Action","journal_issue":"1","journal_volume":"3","format":"Medium: X","authors":["Aurand, Emily R. (ORCID:0000000340928551)","Moon, Tae Seok (ORCID:0000000183739051)","Buan, Nicole R. (ORCID:000000027560973X)","Solomon, Kevin V.","Köpke, Michael","EBRC Technical Roadmapping Working Group"],"subjects":["Climate-change mitigation","Engineering","Microbiology","Policy"],"article_type":"Published Article","contributing_org":"EBRC Technical Roadmapping Working Group","doe_contract_number":"SC0022003 and DE-SC0018324; SC0022206, DE-SC0022018, and DE-SC0023085; SC0022003; SC0018324; SC0022206; SC0022018; SC0023085","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Washington University in St. Louis, MO (United States)"}],"research_orgs":["Washington University in St. Louis, MO (United States)"],"journal_issn":"ISSN 2731-9814","other_identifiers":["Journal ID: ISSN 2731-9814; 9; PII: 89"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310420"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310420"}]}, {"osti_id":"1970662","title":"Astigmatic electron beam propagation","report_number":"LLNL-JRNL-843426","doi":"10.1080/13621718.2023.2198787","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Science and Technology of Welding and Joining Journal Volume: 28 Journal Issue: 8","description":"<p>An astigmatic electron beam with an ellipticity ratio of approximately 2:1 was examined using the Enhanced Modified Faraday Cup (EMFC) diagnostic to measure its properties and show how the power density distribution varies near the beam waist. Results show that the beam has two power density peaks, one on either side of the beam crossover point, resulting from different focal distances of the major and minor axes of the elliptical beam shape. Quantification of the beam properties was used to establish a depth-of-field where the beam diameter and peak power densities are relatively constant. For the 1 kW beam studied here, the depth-of-field measured approximately ±5 mm from the beam crossover point, illustrating how electron beam diagnostics can be used to identify process control limits for repeatable and reliable welds under non-ideal electron beam power density distribution conditions.<\/p>","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"SAGE Publications","journal_name":"Science and Technology of Welding and Joining","journal_issue":"8","journal_volume":"28","format":"Medium: X; Size: p. 672-678","authors":["Elmer, John W. [Lawrence Livermore National Laboratory, Livermore, CA, USA] (ORCID:0000000183964750)","Gibbs, Gordon [Lawrence Livermore National Laboratory, Livermore, CA, USA]"],"subjects":["36 MATERIALS SCIENCE","electron beam welding","beam caustic","depth-of-field","beam crossover","astigmatism","beam diagnostics","divergence angle","beam diameter","beam parameter product","power density distribution"],"article_type":"Published Article","doe_contract_number":"AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 1362-1718","other_identifiers":["Journal ID: ISSN 1362-1718"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/1970662"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/1970662"}]}, {"osti_id":"2305788","title":"Multiscale assessment of North American terrestrial carbon balance","doi":"10.5194/bg-21-869-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Biogeosciences (Online) Journal Volume: 21 Journal Issue: 3","description":"Comparisons of carbon uptake estimates from bottom-up terrestrial biosphere models (TBMs) to top-down atmospheric inversions help assess how well we understand carbon dioxide (CO<sub>2<\/sub>) exchange between the atmosphere and terrestrial biosphere. Previous comparisons have shown varying levels of agreement between bottom-up and top-down approaches, but they have almost exclusively focused on large, aggregated scales (e.g., global or continental), providing limited insights into reasons for the mismatches. Here we explore how consistency, defined as the spread in net ecosystem exchange (NEE) estimates within an ensemble of TBMs or inversions, varies with at finer spatial scales ranging from 1° X 1° to the continent of North America. We also evaluate how well consistency informs accuracy in overall NEE estimates by filtering models based on their agreement with the variability, magnitude, and seasonality in observed atmospheric CO<sub>2<\/sub> drawdowns or enhancements. We find that TBMs produce more consistent estimates of NEE for most regions and at most scales relative to inversions. Filtering models using atmospheric CO<sub>2<\/sub> metrics causes ensemble spread to decrease substantially for TBMs, but not for inversions. This suggests that ensemble spread is likely not a reliable measure of the uncertainty associated with the North American carbon balance at any spatial scale. Promisingly, applying atmospheric CO<sub>2<\/sub> metrics leads to a set of models with converging flux estimates across TBMs and inversions. Overall, we show that multiscale assessment of the agreement between bottom-up and top-down NEE estimates, aided by regional-scale observational constraints is a promising path towards identifying fine-scale sources of uncertainty and improving both ensemble consistency and accuracy. These findings help refine our understanding of biospheric carbon balance, particularly at scales relevant for informing regional carbon-climate feedbacks.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Biogeosciences (Online)","journal_issue":"3","journal_volume":"21","format":"Medium: X; Size: p. 869-891","authors":["Foster, Kelsey T.","Sun, Wu (ORCID:0000000223336282)","Shiga, Yoichi P. (ORCID:0000000185696841)","Mao, Jiafu (ORCID:0000000220507373)","Michalak, Anna M."],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725; AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 1726-4189","other_identifiers":["Journal ID: ISSN 1726-4189"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305788"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305788"}]}, {"osti_id":"2305777","title":"Betelgeuse as a Merger of a Massive Star with a Companion","doi":"10.3847/1538-4357/ad0e0a","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 962 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n We investigate the merger between a 16\n <italic>M<\/italic>\n <sub>⊙<\/sub>\n star, on its way to becoming a red supergiant (RSG), and a 4\n <italic>M<\/italic>\n <sub>⊙<\/sub>\n main-sequence companion. Our study employs three-dimensional hydrodynamic simulations using the state-of-the-art adaptive mesh refinement code O\n <sc>cto<\/sc>\n -T\n <sc>iger<\/sc>\n . The initially corotating binary undergoes interaction and mass transfer, resulting in the accumulation of mass around the companion and its subsequent loss through the second Lagrangian point (L2). The companion eventually plunges into the envelope of the primary, leading to its spin-up and subsequent merger with the helium core. We examine the internal structural properties of the post-merger star, as well as the merger environment and the outflow driven by the merger. Our findings reveal the ejection of approximately ∼0.6\n <italic>M<\/italic>\n <sub>⊙<\/sub>\n of material in an asymmetric and somewhat bipolar outflow. We import the post-merger stellar structure into the MESA stellar evolution code to model its long-term nuclear evolution. In certain cases, the post-merger star exhibits persistent rapid equatorial surface rotation as it evolves in the\n <italic>H<\/italic>\n –\n <italic>R<\/italic>\n diagram toward the observed location of Betelgeuse. These cases demonstrate surface rotation velocities of a similar magnitude to those observed in Betelgeuse, along with a chemical composition resembling that of Betelgeuse. In other cases, efficient rotationally induced mixing leads to slower surface rotation. This pioneering study aims to model stellar mergers across critical timescales, encompassing dynamical, thermal, and nuclear evolutionary stages.\n <\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"2","journal_volume":"962","format":"Medium: X; Size: Article No. 168","authors":["Shiber, Sagiv (ORCID:0000000161070887)","Chatzopoulos, Emmanouil (ORCID:0000000281791654)","Munson, Bradley (ORCID:0000000340344900)","Frank, Juhan (ORCID:0000000344675301)"],"article_type":"Published Article","doe_contract_number":"SC0021228","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305777"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305777"}]}, {"osti_id":"2308879","title":"Emulator of PR‐DNS: Accelerating Dynamical Fields With Neural Operators in Particle‐Resolved Direct Numerical Simulation","report_number":"BNL-225314-2024-JAAM","doi":"10.1029/2023MS003898","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Advances in Modeling Earth Systems Journal Volume: 16 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Particle‐resolved direct numerical simulations (PR‐DNS) play an increasing role in investigating aerosol‐cloud‐turbulence interactions at the most fundamental level of processes. However, the high computational cost associated with high resolution simulations poses considerable challenges for large domain or long duration simulation using PR‐DNS. To address these issues, here we present an emulator of the complex physics‐based PR‐DNS developed by use of the data‐driven Fourier Neural Operator (FNO) method. The effectiveness of the method is showcased by presenting turbulence and temperature fields in a two‐dimensional space. The results demonstrate high accuracy at various resolutions and the emulator is two orders of magnitude cheaper in terms of computational demand compared to the physics‐based PR‐DNS model. Furthermore, the FNO emulator exhibits strong generalization capabilities for different initial conditions and ultra‐high‐resolution without the need to retrain models. These findings highlight the potential of the FNO method as a promising tool to simulate complex fluid dynamics problems with high accuracy, computational efficiency, and generalization capabilities, enhancing our understanding of the aerosol‐cloud‐precipitation system.<\/p>","publication_date":"2024-02-18T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Advances in Modeling Earth Systems","journal_issue":"2","journal_volume":"16","format":"Medium: X","authors":["Zhang, Tao [Brookhaven National Laboratory Upton NY USA] (ORCID:0000000257001966)","Li, Lingda [Brookhaven National Laboratory Upton NY USA]","López‐Marrero, Vanessa [Brookhaven National Laboratory Upton NY USA]","Lin, Meifeng [Brookhaven National Laboratory Upton NY USA]","Liu, Yangang [Brookhaven National Laboratory Upton NY USA] (ORCID:0000000302380468)","Yang, Fan [Brookhaven National Laboratory Upton NY USA] (ORCID:0000000188666664)","Yu, Kwangmin [Brookhaven National Laboratory Upton NY USA]","Atif, Mohammad [Brookhaven National Laboratory Upton NY USA]"],"subjects":["99 GENERAL AND MISCELLANEOUS"],"article_type":"Published Article","doe_contract_number":"SC0012704; 22065","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)"],"journal_issn":"ISSN 1942-2466","other_identifiers":["Journal ID: ISSN 1942-2466; e2023MS003898"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308879"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308879"}]}, {"osti_id":"2305754","title":"Entanglement-based quantum digital signatures over a deployed campus network","doi":"10.1364/OE.510787","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optics Express Journal Volume: 32 Journal Issue: 5","description":"<p>The quantum digital signature protocol offers a replacement for most aspects of public-key digital signatures ubiquitous in today’s digital world. A major advantage of a quantum-digital-signatures protocol is that it can have information-theoretic security, whereas public-key cryptography cannot. Here we demonstrate and characterize hardware to implement entanglement-based quantum digital signatures over our campus network. Over 25 hours, we collect measurements on our campus network, where we measure sufficiently low quantum bit error rates (<5% in most cases) which in principle enable quantum digital signatures at over 50 km as shown through rigorous simulation accompanied by a noise model developed specifically for our implementation. These results show quantum digital signatures can be successfully employed over deployed fiber. Moreover, our reported method provides great flexibility in the number of users, but with reduced entanglement rate per user. Finally, while the current implementation of our entanglement-based approach has a low signature rate, feasible upgrades would significantly increase the signature rate.<\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"Optical Society of America","journal_name":"Optics Express","journal_issue":"5","journal_volume":"32","format":"Medium: X; Size: Article No. 7521","authors":["Chapman, Joseph C. (ORCID:0000000233460914)","Alshowkan, Muneer (ORCID:0000000264293450)","Qi, Bing","Peters, Nicholas A. (ORCID:0000000272159630)"],"subjects":["97 MATHEMATICS AND COMPUTING"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725; Risk Management Tools and Technologies Program; ERKJ378","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"},{"name":"USDOE Office of Cybersecurity, Energy Security, and Emergency Response (CESER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)","USDOE Office of Cybersecurity, Energy Security, and Emergency Response (CESER)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1094-4087","other_identifiers":["Journal ID: ISSN 1094-4087; OPEXFF"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305754"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305754"}]}, {"osti_id":"2319032","title":"Investigation of Microstructures and Tensile Properties of 316L Stainless Steel Fabricated via Laser Powder Bed Fusion","doi":"10.3390/ma17040913","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Materials; Journal Volume: 17; Journal Issue: 4","description":"In this study, a thorough investigation of the microstructures and tensile properties of 316L stainless steel fabricated via laser powder bed fusion (L-PBF) was done. 316L stainless steel specimens with two different thicknesses of 1.5 mm and 4.0 mm fabricated under similar conditions were utilized. Microstructural characterization was performed using optical microscopy (OM) and scanning electron microscopy (SEM) equipped with electron backscatter diffraction (EBSD). Melt pools and cellular structures were observed using OM, whereas EBSD was utilized to obtain the grain size, grain boundary characteristics, and crystallographic texture. The 1.5 mm thick sample demonstrated a yield strength (YS) of 538.42 MPa, ultimate tensile strength (UTS) of 606.47 MPa, and elongation to failure of 69.88%, whereas the 4.0 mm thick sample had a YS of 551.21 MPa, UTS of 619.58 MPa, and elongation to failure of 73.66%. These results demonstrated a slight decrease in mechanical properties with decreasing thickness, with a 2.4% reduction in YS, 2.1% reduction in UTS, and 5.8% reduction in elongation to failure. In addition to other microstructural features, the cellular structures were observed to be the major contributors to the high mechanical properties. Using the inverse pole figure (IPF) maps, both thicknesses depicted a crystallographic texture of {001} <101> in their as-built state. However, when subjected to tensile loads, texture transitions to {111} <001> and {111} <011> were observed for the 1.5 mm and 4.0 mm samples, respectively. Additionally, EBSD analysis revealed the pre-existence of high-density dislocation networks and a high fraction of low-angle grain boundaries. Interestingly, twinning was observed, suggesting that the plastic deformation occurred through dislocation gliding and deformation twinning.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"MDPI","journal_name":"Materials","journal_issue":"4","journal_volume":"17","format":"Medium: ED; Size: Article No. 913","authors":["Chepkoech, Melody [Howard University, Washington, DC (United States)] (ORCID:0009000333173952)","Owolabi, Gbadebo [Howard University, Washington, DC (United States)]","Warner, Grant [Spelman College, Atlanta, GA (United States)]"],"subjects":["316L stainless steel","laser powder bed fusion","additive manufacturing","tensile","microstructure"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003945","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"University of the District of Columbia, Washington, DC (United States)"}],"research_orgs":["University of the District of Columbia, Washington, DC (United States)"],"journal_issn":"ISSN 1996-1944","other_identifiers":["Journal ID: ISSN 1996-1944"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319032"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2319032"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319032"}]}, {"osti_id":"2308889","title":"Organic Molecules Mimic Alkali Metals Enabling Spontaneous Harpoon Reactions with Halogens","doi":"10.1002/chem.202400038","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Chemistry - A European Journal","description":"<title>Abstract<\/title>\n <p>\n The harpoon mechanism has been a milestone in molecular reaction dynamics. Until now, the entity from which electron harpooning occurs has been either alkali metal atoms or non‐metallic analogs in their excited states. In this work, we demonstrate that a common organic molecule, octamethylcalix[4] pyrrole (omC4P), behaves just like alkali metal atoms, enabling the formation of charge‐separated ionic bonding complexes with halogens omC4P\n <sup>+<\/sup>\n ⋅ \n <italic>X<\/italic>\n <sup>−<\/sup>\n (\n <italic>X<\/italic>\n =F−I, SCN) via the harpoon mechanism. Their electronic structures and chemical bonding were determined by cryogenic photoelectron spectroscopy of the corresponding anions and confirmed by theoretical analyses. The omC4P\n <sup>+<\/sup>\n ⋅ \n <italic>X<\/italic>\n <sup>−<\/sup>\n could be visualized to form from the reactants omC4P+\n <italic>X<\/italic>\n via electron harpooning from omC4P to\n <italic>X<\/italic>\n at a distance defined by the energy difference between the ionization potential of omC4P and electron affinity of\n <italic>X<\/italic>\n .\n <\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Chemistry - A European Journal","format":"Medium: X","authors":["Cao, Wenjin [Physical Sciences Division Pacific Northwest National Laboratory 902 Battelle Boulevard, P. O. Box 999, MS J7-10 Richland WA 99352 USA] (ORCID:0000000228524047)","Wang, Xue‐Bin [Physical Sciences Division Pacific Northwest National Laboratory 902 Battelle Boulevard, P. O. Box 999, MS J7-10 Richland WA 99352 USA] (ORCID:0000000183261780)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0947-6539","other_identifiers":["Journal ID: ISSN 0947-6539; e202400038"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308889"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308889"}]}, {"osti_id":"2305761","title":"Saturation of Fishbone Instability by Self-Generated Zonal Flows in Tokamak Plasmas","doi":"10.1103/PhysRevLett.132.075101","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters Journal Volume: 132 Journal Issue: 7","description":"Gyrokinetic simulations of the fishbone instability in DIII-D tokamak plasmas find that self-generated zonal flows can dominate the nonlinear saturation by preventing coherent structures from persisting or drifting in the energetic particle phase space when the mode frequency down-chirps. Results from the simulation with zonal flows agree quantitatively, for the first time, with experimental measurements of the fishbone saturation amplitude and energetic particle transport. Moreover, the fishbone-induced zonal flows are likely responsible for the formation of an internal transport barrier that was observed after fishbone bursts in this DIII-D experiment. Finally, gyrokinetic simulations of a related ITER baseline scenario show that the fishbone induces insignificant energetic particle redistribution and may enable high performance scenarios in ITER burning plasma experiments.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review Letters","journal_issue":"7","journal_volume":"132","format":"Medium: X","authors":["Brochard, G. (ORCID:0000000232083651)","Liu, C.","Wei, X.","Heidbrink, W.","Lin, Z.","Gorelenkov, N.","Chrystal, C. (ORCID:0000000330498658)","Du, X.","Bao, J.","Polevoi, A. R.","Schneider, M.","Kim, S. H.","Pinches, S. D. (ORCID:000000030132945X)","Liu, P. (ORCID:0000000267393684)","Nicolau, J. H. (ORCID:0000000314701820)","Lütjens, H."],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","Drift waves","Magnetohydrodynamics","Plasma instabilities","Plasma transport","Gyrofluid & gyrokinetics"],"article_type":"Published Article","doe_contract_number":"FC02-04ER54698; AC05-00OR22725; AC02-05CH11231; AC02-09CH11466","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC) Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC) Fusion Energy Sciences (FES)"],"orgs_research":[{"name":"General Atomics, San Diego, CA (United States)"}],"research_orgs":["General Atomics, San Diego, CA (United States)"],"journal_issn":"ISSN 0031-9007","other_identifiers":["Journal ID: ISSN 0031-9007; PRLTAO; 075101"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305761"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305761"}]}, {"osti_id":"2309760","title":"Quantum order by disorder in frustrated spin nanotubes","report_number":"IS-J-11,264","doi":"10.1103/physrevb.109.075137","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 7","description":"Here we investigate quantum order by disorder in a frustrated spin nanotube formed by wrapping a J1–J2 Heisenberg model at 45° around a cylinder. Using Schwinger boson theory and density matrix renormalization group (DMRG), we have computed the ground-state phase diagram to reveal a Z2 phase in which collinear spin stripes form a right- or left-handed helix around the nanotube. We have derived an analytic estimate for the critical η<sub>c<\/sub> = J<sub>1<\/sub>/2J<sub>2<\/sub> of the Z<sub>2<\/sub>-helical phase transition, which is in agreement with the DMRG results. By evaluating the entanglement spectrum and nonlocal string order parameters we discuss the topology of the Z<sub>2<\/sub>-helical phase.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"7","journal_volume":"109","format":"Medium: ED; Size: Article No. 075137","authors":["Getelina, João C. [Ames Laboratory (AMES), Ames, IA (United States)]","Zhuang, Zekun [Rutgers Univ., Piscataway, NJ (United States)]","Chandra, Premala [Rutgers Univ., Piscataway, NJ (United States)] (ORCID:0000000323124199)","Coleman, Piers [Rutgers Univ., Piscataway, NJ (United States); Royal Holloway, Univ. of London (RHUL), Egham (United Kingdom)] (ORCID:0000000165465245)","Orth, Peter P. [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States); Saarland University Campus, Saarbrücken (Germany)] (ORCID:0000000321838120)","Sondhi, S. L. [Univ. of Oxford (United Kingdom)]"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358; SC0020353; LIP-202-014; DMR-1830707","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"Leverhulme Trust International Professorship"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","Leverhulme Trust International Professorship","National Science Foundation (NSF)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309760"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309760"}]}, {"osti_id":"2322593","title":"Expanding the synthetic biology toolbox of\n <i>Cupriavidus necator<\/i>\n for establishing fatty acid production","doi":"10.1093/jimb/kuae008","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Journal of Industrial Microbiology and Biotechnology Journal Volume: 51","description":"<title>Abstract<\/title>\n <p>The Gram-negative betaproteobacterium Cupriavidus necator is a chemolithotroph that can convert carbon dioxide into biomass. Cupriavidus necator has been engineered to produce a variety of high-value chemicals in the past. However, there is still a lack of a well-characterized toolbox for gene expression and genome engineering. Development and optimization of biosynthetic pathways in metabolically engineered microorganisms necessitates control of gene expression via functional genetic elements such as promoters, ribosome binding sites (RBSs), and codon optimization. In this work, a set of inducible and constitutive promoters were validated and characterized in C. necator, and a library of RBSs was designed and tested to show a 50-fold range of expression for green fluorescent protein (gfp). The effect of codon optimization on gene expression in C. necator was studied by expressing gfp and mCherry genes with varied codon-adaptation indices and was validated by expressing codon-optimized variants of a C12-specific fatty acid thioesterase to produce dodecanoic acid. We discuss further hurdles that will need to be overcome for C. necator to be widely used for biosynthetic processes.<\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Oxford University Press","journal_name":"Journal of Industrial Microbiology and Biotechnology","journal_volume":"51","format":"Medium: X","authors":["Mishra, Shivangi","Perkovich, Paul M.","Mitchell, Wayne P.","Venkataraman, Maya","Pfleger, Brian F. (ORCID:0000000292329959)"],"article_type":"Published Article","doe_contract_number":"AR0001503","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1367-5435","other_identifiers":["Journal ID: ISSN 1367-5435; kuae008"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322593"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322593"}]}, {"osti_id":"2305756","title":"Low frequency, 100–600 MHz, searches with axion cavity haloscopes","report_number":"FERMILAB-PUB-23-110-PPD-SQMS; arXiv:2303.07116; PNNL-SA-186229","doi":"10.1103/PhysRevD.109.042004","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D. Journal Volume: 109 Journal Issue: 4","description":"We investigate reentrant and dielectric loaded cavities for the purpose of extending the range of axion cavity haloscopes to lower masses, below the range where the Axion Dark Matter experiment (ADMX) has already searched. Reentrant and dielectric loaded cavities were simulated numerically to calculate and optimize their form factors and quality factors. A prototype reentrant cavity was built and its measured properties were compared with the simulations. We estimate the sensitivity of axion dark matter searches using reentrant and dielectric loaded cavities inserted in the existing ADMX magnet at the University of Washington and a large magnet being installed at Fermilab.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. D.","journal_issue":"4","journal_volume":"109","format":"Medium: X","authors":["Chakrabarty, S.","Gleason, J. R.","Han, Y.","Hipp, A. T.","Solano, M.","Sikivie, P. (ORCID:0000000178746265)","Sullivan, N. S.","Tanner, D. B.","Goryachev, M.","Hartman, E.","McAllister, B. T.","Quiskamp, A.","Thomson, C.","Tobar, M. E.","Awida, M. H.","Chou, A. S.","Hollister, M.","Knirck, S.","Sonnenschein, A.","Wester, W.","Braine, T.","Guzzetti, M.","Hanretty, C.","Leum, G.","Rosenberg, L. J.","Rybka, G.","Sinnis, J.","Clarke, John","Siddiqi, I.","Khatiwada, R.","Carosi, G.","Du, N.","Robertson, N.","Duffy, L. D.","Boutan, C.","Oblath, N. S.","Taubman, M. S.","Yang, J.","Lentz, E.","Daw, E. J.","Perry, M. G.","Bartram, C.","Buckley, J. H.","Gaikwad, C.","Hoffman, J.","Murch, K. W.","Nitta, T."],"subjects":["46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY","72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS"],"article_type":"Published Article","doe_contract_number":"SC0022148; SC0009800; DESC0009723; SC0010296; SC0010280; SC0011665; DEFG02-97ER41029; DEFG02-96ER40956; DEAC52-07NA27344; DEC03-76SF00098; DESC0017987; AC02-07CH11359; LLNL-JRNL-846819; AC05-76RL01830; SC0009723; FG02-97ER41029; FG02-96ER40956; AC52-07NA27344; AC03-76SF00098; SC0017987; CE170100009; CE200100008","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"},{"name":"ARC Centre of Excellence"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)","ARC Centre of Excellence"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"},{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"},{"name":"SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)"},{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"},{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"},{"name":"Univ. of Florida, Gainesville, FL (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)","Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)","SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)","Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)","Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)","Univ. of Florida, Gainesville, FL (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; PRVDAQ; 042004"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305756"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305756"}]}, {"osti_id":"2283617","title":"Airborne Measurements of Scale‐Dependent Latent Heat Flux Impacted by Water Vapor and Vertical Velocity Over Heterogeneous Land Surfaces During the CHEESEHEAD19 Campaign","doi":"10.1029/2023JD039586","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Geophysical Research: Atmospheres Journal Volume: 129 Journal Issue: 3","description":"The water vapor transport associated with latent heat flux (LE) in the planetary boundary layer (PBL) is critical for the atmospheric hydrological cycle, radiation balance, and cloud formation. The spatiotemporal variability of LE and water vapor mixing ratio (<em>r<\/em><sub><em>v<\/em><\/sub>) are poorly understood due to the scale-dependent and nonlinear atmospheric transport responses to land surface heterogeneity. Here, airborne in situ measurements with the wavelet technique are utilized to investigate scale-dependent relationships among LE, vertical velocity (<em>w<\/em>) variance (σ${^2_w}$), and <em>r<\/em><sub><em>v<\/em><\/sub> variance (σ$^{2}_{H20}$) over a heterogeneous surface during the Chequamegon Heterogeneous Ecosystem Energy-balance Study Enabled by a High-density Extensive Array of Detectors 2019 (CHEESEHEAD19) field campaign. Our findings reveal distinct scale distributions of LE, σ${^2_w}$, and σ$^{2}_{H20}$ at 100 m height, with a majority scale range of 120 m–4 km in LE, 32 m–2 km in σ${^2_w}$, and 200 m–8 km in σ$^{2}_{H20}$. The scales are classified into three scale ranges, the turbulent scale (8–200 m), large-eddy scale (200 m–2 km), and mesoscale (2–8 km) to evaluate scale-resolved LE contributed by σ${^2_w}$ and σ$^{2}_{H20}$. The large-eddy scale in PBL contributes over 70% of the monthly mean total LE with equal parts (50%) of contributions from σ${^2_w}$ and σ$^{2}_{H20}$. The monthly temporal variations mainly come from the first two major contributing classified scales in LE, σ${^2_w}$, and σ$^{2}_{H20}$. These results confirm the dominant role of the large-eddy scale in the PBL in the vertical moisture transport from the surface to the PBL, while the mesoscale is shown to contribute an additional ~20%. This analysis complements published scale-dependent LE variations, which lack detailed scale-dependent vertical velocity and moisture information.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-02T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Geophysical Research: Atmospheres","journal_issue":"3","journal_volume":"129","format":"Medium: X","authors":["Lin, Guo [NOAA/AOML/Hurricane Research Division Miami FL USA, Cooperative Institute for Marine and Atmospheric Studies University of Miami Miami FL USA] (ORCID:0000000244708882)","Wang, Zhien [School of Marine and Atmospheric Sciences Stony Brook University Stony Brook NY USA]","Chu, Yufei [School of Marine and Atmospheric Sciences Stony Brook University Stony Brook NY USA]","Ziegler, Conrad L. [NOAA/National Severe Storms Laboratory Norman OK USA, School of Meteorology University of Oklahoma Norman OK USA]","Hu, Xiao‐Ming [School of Meteorology University of Oklahoma Norman OK USA, Center for Analysis and Prediction of Storms University of Oklahoma Norman OK USA] (ORCID:0000000207695090)","Xue, Ming [School of Meteorology University of Oklahoma Norman OK USA, Center for Analysis and Prediction of Storms University of Oklahoma Norman OK USA] (ORCID:0000000319763238)","Geerts, Bart [Department of Atmospheric Science University of Wyoming Laramie WY USA] (ORCID:0000000215086121)","Paleri, Sreenath [Department of Atmospheric and Oceanic Sciences University of Wisconsin‐Madison Madison WI USA] (ORCID:0000000344356343)","Desai, Ankur R. [Department of Atmospheric and Oceanic Sciences University of Wisconsin‐Madison Madison WI USA] (ORCID:0000000252266041)","Yang, Kang [School of Marine and Atmospheric Sciences Stony Brook University Stony Brook NY USA] (ORCID:0000000234933605)","Deng, Min [Environmental and Climate Sciences Department Brookhaven National Laboratory Upton NY USA]","DeGraw, Jonathan [School of Meteorology University of Oklahoma Norman OK USA, Center for Analysis and Prediction of Storms University of Oklahoma Norman OK USA]"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Published Article","contributing_org":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)","doe_contract_number":"SC0020171; AGS-1917693; AGS-1917701; 80NSSC20K0663; AGS-2313772; AGS-1822420","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Science Foundation (NSF)"},{"name":"National Aeronautics and Space Administration (NASA)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Science Foundation (NSF)","National Aeronautics and Space Administration (NASA)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"],"journal_issn":"ISSN 2169-897X","other_identifiers":["Journal ID: ISSN 2169-897X; e2023JD039586"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283617"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283617"}]}, {"osti_id":"2322440","title":"Electrically Insulated Catalyst–Ionomer Anode Interfaces toward Durable Alkaline Membrane Electrolyzers","doi":"10.1021/acsenergylett.3c02620","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Energy Letters; Journal Volume: 9; Journal Issue: 3","description":"Anion-exchange-membrane water electrolysis (AEMWE) is an emerging technology for scalable hydrogen production. AEMWE has poor durability when operating without supporting electrolyte due to the oxidation of ionomers and membranes in contact with the anode oxygen evolution reaction (OER) catalyst. We report a new “passivated” anode architecture for AEMWE where the OER catalysts and ionomers are physically separated with a thin film amorphous oxide coating that is electrically insulating but conductive to hydroxide ions. We find that 2–3 nm of HfO<sub>x<\/sub> passivation layers show sufficient hydroxide ion transport to minimally limit the cell performance while suppressing ionomer degradation with both Ir (500 mA·cm<sup>–2<\/sup> for 40 h) and CoO<sub>x<\/sub> (1.0 A·cm<sup>–2<\/sup> for 100 h) model porous-transport-layer-supported catalysts in AEMWE. As a result, this interfacial engineering approach guides electrode design to improve the durability of AEMWE, particularly for systems operating with pure-water feed.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"ACS Energy Letters","journal_issue":"3","journal_volume":"9","format":"Medium: ED; Size: p. 1025-1034","authors":["Kwak, Minkyoung [University of Oregon, Eugene, OR (United States)]","Ojha, Kasinath [University of Oregon, Eugene, OR (United States)] (ORCID:0000000238118579)","Shen, Meikun [University of Oregon, Eugene, OR (United States)] (ORCID:0000000181004115)","Boettcher, Shannon W. [University of Oregon, Eugene, OR (United States); University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000189719123)"],"subjects":["Catalysts","Electrodes","Ionomers","Layers","Transition metals"],"article_type":"Accepted Manuscript","doe_contract_number":"EE0008841","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO)"],"orgs_research":[{"name":"Univ. of Oregon, Eugene, OR (United States)"}],"research_orgs":["Univ. of Oregon, Eugene, OR (United States)"],"journal_issn":"ISSN 2380-8195","other_identifiers":["Journal ID: ISSN 2380-8195"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322440"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322440"}]}, {"osti_id":"2323248","title":"Spectroscopic analysis of Pu-bearing compounds in double-walled cells","report_number":"SRNL-STI-2023-00619-REV","doi":"10.3389/fnuen.2024.1355374","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Frontiers in Nuclear Engineering; Journal Volume: 3","description":"Spectroscopic analysis of radiological materials has been historically limited to radiological labs with older or less advanced scientific instrumentation. The development of double-walled cells (DWCs) at the Savannah River National Laboratory (SRNL) has enabled Pu-bearing compounds to be removed from radiological laboratories and studied in our radiologically clean spectroscopy laboratory with state-of-the-art instrumentation. In this manuscript, we discuss the contributions of DWCs that have allowed the application of Raman spectroscopy, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), diffuse reflectance spectroscopy (DRS) in the shortwave infrared, and gamma spectroscopy at SRNL. Significant advances have been made in the understanding of the thermal decomposition of Pu(III) and Pu(IV) oxalates, alpha-induced damage to the PuO<sub>2<\/sub> crystal lattice, and the effect of calcination temperatures on the quality of PuO<sub>2<\/sub>. These techniques have enabled methods to conduct PuO<sub>2<\/sub> age dating since last calcination and estimate the calcination temperature with Raman spectroscopy and DRS. Additional spectroscopic information measured with DRIFTS has enabled the observation of the evolution of carbon species with calcination temperature, while gamma spectroscopy provides information on age dating since last purification.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Frontiers Media S.A.","journal_name":"Frontiers in Nuclear Engineering","journal_volume":"3","format":"Medium: ED; Size: Article No. 1355374","authors":["Villa-Aleman, Eliel [Savannah River National Laboratory (SRNL), Aiken, SC (United States)]","Darvin, Jason R. [Savannah River National Laboratory (SRNL), Aiken, SC (United States)]","Dick, Don D. [Savannah River National Laboratory (SRNL), Aiken, SC (United States)]","Maxwell, Michael C. [Savannah River National Laboratory (SRNL), Aiken, SC (United States)]","Swindle, Ashlee R. [Savannah River National Laboratory (SRNL), Aiken, SC (United States)]","Foley, Bryan J. [Savannah River National Laboratory (SRNL), Aiken, SC (United States)]"],"subjects":["46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY","Raman","Spectroscopy","FTIR","Diffuse Reflectance","Plutonium-bearing Compounds","Gamma spectroscopy"],"article_type":"Accepted Manuscript","doe_contract_number":"89303321CEM000080; LDRD-2016-00015; LDRD-2023-00118","orgs_sponsor":[{"name":"USDOE Office of Environmental Management (EM)"},{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Office of Environmental Management (EM)","USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Savannah River National Laboratory (SRNL), Aiken, SC (United States)"}],"research_orgs":["Savannah River National Laboratory (SRNL), Aiken, SC (United States)"],"journal_issn":"ISSN 2813-3412","other_identifiers":["Journal ID: ISSN 2813-3412"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323248"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2323248"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323248"}]}, {"osti_id":"2305787","title":"Thermal field reconstruction and compressive sensing using proper orthogonal decomposition","doi":"10.3389/fenrg.2024.1336540","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Energy Research Journal Volume: 12","description":"<p>Model order reduction allows critical information about sensor placement and experiment design to be distilled from raw fluid mechanics simulation data. In many cases, sensed information in conjunction with reduced order models can also be used to regenerate full field variables. In this paper, a proper orthogonal decomposition (POD) inferencing method is extended to the modeling and compressive sensing of temperature, a scalar field variable. The method is applied to a simulated, critically stable, incompressible flow over a heated cylinder (Re = 1000) with Prandtl number varying between 0.001 and 50. The model is trained on pressure and temperature data from simulations. Field reconstructions are then generated using data from selected sensors and the POD model. Finally, the reconstruction error is evaluated across all Prandtl numbers for different numbers of retained modes and sensors. The predicted trend of increasing reconstruction accuracy with decreasing Prandtl number is confirmed and a Prandtl number/sensor count error matrix is presented.<\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Energy Research","journal_volume":"12","format":"Medium: X","authors":["Matulis, John","Bindra, Hitesh"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2296-598X","other_identifiers":["Journal ID: ISSN 2296-598X; 1336540"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305787"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305787"}]}, {"osti_id":"2318653","title":"DE-EE0008852 Final Report","report_number":"DE-EE0008852","doi":"10.2172/2318653","product_type":"Technical Report","language":"English","country_publication":"United States","relation":"Related Information: paper","description":"Solid-state electrolytes (SSEs) must have thicknesses of < 50 microns in order to be competitive with current state-of-the-art organic liquid electrolyte batteries. Mixed oxy-sulfide-nitride (MOSN) glassy solid electrolytes (GSEs) can be drawn into thin ribbons using the glass redraw process, to form glasses with superior performance in a safe, lower-cost, monolithic glass film. It is expected that these new GSEs in solid-state lithium batteries (SSLBs) increase the energy density (anode basis) from ~300 mAh/g to ~ 4000 mAh/g. This project is focused on the development of candidate MOS GSE compositions, and optimization of the thin film drawing process to generate thin film glass ribbons for use in SSLBs.","publication_date":"2024-03-05T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","format":"Medium: ED","coverage":"Final","authors":["Martin, Steve W [Iowa State Univ., Ames, IA (United States)]"],"subjects":["25 ENERGY STORAGE","Glass, solid electrolyte, solid state battery"],"contributing_org":"Iowa State University","doe_contract_number":"EE0008852","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO). Batteries for Advanced Transportation Technologies (BATT) Program"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO). Batteries for Advanced Transportation Technologies (BATT) Program"],"orgs_research":[{"name":"Iowa State University of Science & Technology"}],"research_orgs":["Iowa State University of Science & Technology"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318653"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2318653"}]}, {"osti_id":"2318571","title":"Codebase release r1.4 for CoVVVR","doi":"10.21468/SciPostPhysCodeb.28-r1.4","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: SciPost Physics Codebases","description":"<p>Monte Carlo (MC) integration is an important calculational technique in the physical sciences. Practical considerations require that the calculations are performed as accurately as possible for a given set of computational resources. To improve the accuracy of MC integration, a number of useful variance reduction algorithms have been developed, including importance sampling and control variates. In this work, we demonstrate how these two methods can be applied simultaneously, thus combining their benefits. We provide a python wrapper, named COVVVR, which implements our approach in the VEGAS program. The improvements are quantified with several benchmark examples from the literature.<\/p>","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Stichting SciPost","journal_name":"SciPost Physics Codebases","format":"Medium: X","authors":["Shyamsundar, Prasanth","Scott, Jacob L.","Mrenna, Stephen","Matchev, Konstantin T.","Kong, Kyoungchul"],"article_type":"Published Article","doe_contract_number":"DEAC02-07CH11359; 0000240323; SC0019219; SC0022148; SC0024407; SC0024673","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2949-804X","other_identifiers":["Journal ID: ISSN 2949-804X; 28-r1.4"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318571"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318571"}]}, {"osti_id":"2305774","title":"The role of RF-induced E×B flows in the mitigation of scrape-off-layer convective transport during ion cyclotron resonance heating","doi":"10.1088/1741-4326/ad26a9","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion Journal Volume: 64 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>\n While multiple experiments have reported a decrease in intermittent fluctuations in the far Scrape-Off-Layer (SOL) during ion cyclotron resonance heating (Antar\n <italic>et al<\/italic>\n 2010\n <italic>Phys. Rev. Lett.<\/italic>\n <bold>105<\/bold>\n 165001, Li\n <italic>et al<\/italic>\n 2022\n <italic>Nucl. Eng. Technol.<\/italic>\n <bold>54<\/bold>\n 207–19, Antar\n <italic>et al<\/italic>\n 2012\n <italic>Nucl. Fusion<\/italic>\n <bold>52<\/bold>\n 103005), the physical mechanism behind this observation has not been fully established yet. In this work, we demonstrate, for the first time, a direct correlation between the amplitude of RF-induced E×B flows and turbulence suppression in the far SOL. Using the Gas Puff Imaging (GPI) diagnostic on Alcator C-Mod, we show again that Ion Cyclotron Range of Frequencies can significantly alter the flow in the SOL and introduce a shear layer in regions magnetically connected close to the antenna (Cziegler\n <italic>et al<\/italic>\n 2012\n <italic>Plasma Phys. Control. Fusion<\/italic>\n <bold>54<\/bold>\n 105019). With the 4-strap field-aligned antenna operated in dipole phasing, the ratio of the power coupled by the central two straps to the power coupled by the outer two straps was varied. The resulting RF-induced radial electric field magnitude thus varied, and we show that the impact on the far SOL turbulence correlates with the modified E×B velocity. We then apply a newly-developed blob tracking algorithm (Han\n <italic>et al<\/italic>\n 2022\n <italic>Sci. Rep.<\/italic>\n <bold>12<\/bold>\n 18142) to higher-resolution GPI videos in order to directly observe the process of blob shearing by RF-induced E×B flows. We show that the radially sheared poloidal flows act as a transport barrier by stretching, stopping, and destroying filaments, which is consistent with the observed difference in turbulence statistics.\n <\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","journal_issue":"4","journal_volume":"64","format":"Medium: X; Size: Article No. 046002","authors":["Diab, R. (ORCID:0000000342065868)","Decristoforo, G. (ORCID:0000000276160946)","Ahmed, S. (ORCID:0000000277325765)","Baek, S. G.","Lin, Y.","Marmar, E.","Terry, J. L. (ORCID:0000000342555509)","Wukitch, S. J."],"article_type":"Published Article","doe_contract_number":"SC0014264.","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305774"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305774"}]}, {"osti_id":"2305758","title":"Simultaneously improving accuracy and computational cost under parametric constraints in materials property prediction tasks","doi":"10.1186/s13321-024-00811-6","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Cheminformatics Journal Volume: 16 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Modern data mining techniques using machine learning (ML) and deep learning (DL) algorithms have been shown to excel in the regression-based task of materials property prediction using various materials representations. In an attempt to improve the predictive performance of the deep neural network model, researchers have tried to add more layers as well as develop new architectural components to create sophisticated and deep neural network models that can aid in the training process and improve the predictive ability of the final model. However, usually, these modifications require a lot of computational resources, thereby further increasing the already large model training time, which is often not feasible, thereby limiting usage for most researchers. In this paper, we study and propose a deep neural network framework for regression-based problems comprising of fully connected layers that can work with any numerical vector-based materials representations as model input. We present a novel deep regression neural network, iBRNet, with branched skip connections and multiple schedulers, which can reduce the number of parameters used to construct the model, improve the accuracy, and decrease the training time of the predictive model. We perform the model training using composition-based numerical vectors representing the elemental fractions of the respective materials and compare their performance against other traditional ML and several known DL architectures. Using multiple datasets with varying data sizes for training and testing, We show that the proposed iBRNet models outperform the state-of-the-art ML and DL models for all data sizes. We also show that the branched structure and usage of multiple schedulers lead to fewer parameters and faster model training time with better convergence than other neural networks. Scientific contribution: The combination of multiple callback functions in deep neural networks minimizes training time and maximizes accuracy in a controlled computational environment with parametric constraints for the task of materials property prediction.<\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Journal of Cheminformatics","journal_issue":"1","journal_volume":"16","format":"Medium: X","authors":["Gupta, Vishu","Li, Youjia","Peltekian, Alec","Kilic, Muhammed Nur Talha","Liao, Wei-keng","Choudhary, Alok","Agrawal, Ankit"],"article_type":"Published Article","doe_contract_number":"SC0019358, DE-SC0021399; 17-SC-20-SC","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1758-2946","other_identifiers":["Journal ID: ISSN 1758-2946; 17; PII: 811"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305758"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305758"}]}, {"osti_id":"2305556","title":"Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH4)2 in THF","doi":"10.1038/s41467-024-45672-7","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Divalent ions (Mg, Ca, and Zn) are being considered as competitive, safe, and earth-abundant alternatives to Li-ion electrochemistry, but present challenges for stable cycling due to undesirable interfacial phenomena. We explore the formation of electroactive species in the electrolyte Ca(BH\n <sub>4<\/sub>\n )\n <sub>2<\/sub>\n ∣THF using molecular dynamics coupled with a continuum model of bulk and interfacial speciation. Free-energy analysis and unsupervised learning indicate a majority population of neutral Ca dimers and monomers with diverse molecular conformations and an order of magnitude lower concentration of the primary electroactive charged species – the monocation, CaBH\n <inline-formula>\n <alternatives>\n <tex-math>$${}_{4}^{+}$$<\/tex-math>\n <math>\n <msubsup>\n <mrow/>\n <mrow>\n <mn>4<\/mn>\n <\/mrow>\n <mrow>\n <mo>+<\/mo>\n <\/mrow>\n <\/msubsup>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n – produced via disproportionation of neutral complexes. Dense layering of THF molecules within ~1 nm of the electrode surface strongly modulates local electrolyte species populations. A dramatic increase in monocation population in this interfacial zone is induced at negative bias. We see no evidence for electrochemical activity of fully-solvated Ca\n <sup>2+<\/sup>\n . The consequences for performance are discussed in light of this molecular-scale insight.\n <\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Sanz Matias, Ana (ORCID:0000000246625140)","Roncoroni, Fabrice (ORCID:0000000164023752)","Sundararaman, Siddharth (ORCID:000000024746879X)","Prendergast, David (ORCID:0000000305981453)"],"article_type":"Published Article","doe_contract_number":"de-ac02-05ch11231","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1397; PII: 45672"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305556"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305556"}]}, {"osti_id":"2305784","title":"Numerical coupling of aerosol emissions, dry removal, and turbulent mixing in the E3SM Atmosphere Model version 1 (EAMv1) – Part 1: Dust budget analyses and the impacts of a revised coupling scheme","report_number":"PNNL-SA-186099; LLNL-JRNL-850087","doi":"10.5194/gmd-17-1387-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Geoscientific Model Development (Online) Journal Volume: 17 Journal Issue: 3","description":"An earlier study evaluating dust life cycle in the Energy Exascale Earth System Model (E3SM) Atmosphere Model version 1 (EAMv1) has revealed that the simulated global mean dust lifetime is substantially shorter when higher vertical resolution is used, primarily due to significant strengthening of dust dry removal in source regions. This paper demonstrates that the sequential splitting of aerosol emissions, dry removal, and turbulent mixing in the model\'s time integration loop, especially the calculation of dry removal after surface emissions and before turbulent mixing, is the primary reason for the vertical resolution sensitivity reported in that earlier study. Based on this reasoning, we propose a revised numerical process coupling scheme that requires the least amount of code changes, in which the surface emissions are applied before turbulent mixing instead of before dry removal. The revised scheme allows newly emitted particles to be transported aloft by turbulence before being removed from the atmosphere, and hence better resembles the dust life cycle in the real world. Sensitivity experiments show that the revised process coupling substantially weakens dry removal and strengthens vertical mixing in dust source regions. It also strengthens the large-scale transport from source to non-source regions, strengthens dry removal outside the source regions, and strengthens wet removal and activation globally. In transient simulations of the years 2000–2009 conducted using 1° horizontal grid spacing, 72 vertical layers, and unchanged tuning parameters of emission strength, the revised process coupling leads to a 40 % increase in the global total dust burden and an increase of dust lifetime from 1.8 to 2.5 d in terms of 10-year averages. Weakened dry removal and increased mixing ratios are also seen for other aerosol species that have substantial surface emissions, although the changes in mixing ratio are considerably smaller for the submicron species than for dust and sea salt. Numerical experiments confirm that the revised coupling scheme significantly reduces the strong and non-physical sensitivities of model results to vertical resolution in the original EAMv1. This provides a motivation for adopting the revised scheme in EAM as well as for further improvements on the simple revision presented in this paper.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Geoscientific Model Development (Online)","journal_issue":"3","journal_volume":"17","format":"Medium: X; Size: p. 1387-1407","authors":["Wan, Hui (ORCID:0000000152944116)","Zhang, Kai (ORCID:0000000304576368)","Vogl, Christopher J. (ORCID:000000023855694X)","Woodward, Carol S. (ORCID:0000000265028659)","Easter, Richard C.","Rasch, Philip J.","Feng, Yan (ORCID:0000000164640785)","Wang, Hailong (ORCID:0000000219944402)"],"subjects":["54 ENVIRONMENTAL SCIENCES","E3SM","aerosol modeling","numerical algorithms","process coupling","58 GEOSCIENCES","97 MATHEMATICS AND COMPUTING"],"article_type":"Published Article","doe_contract_number":"79698; E3SM project; AC05-76RL01830; AC02-05CH1123; ASCR-ERCAP0025451; AC52-07NA27344; AC02-06CH11357; AC02-05CH11231; AC06-76RLO1830","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)","USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)"},{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)","Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 1991-9603","other_identifiers":["Journal ID: ISSN 1991-9603"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305784"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305784"}]}, {"osti_id":"2305771","title":"Rejuvenation as the origin of planar defects in the CrCoNi medium entropy alloy","doi":"10.1038/s41467-024-45696-z","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>High or medium- entropy alloys (HEAs/MEAs) are multi-principal element alloys with equal atomic elemental composition, some of which have shown record-breaking mechanical performance. However, the link between short-range order (SRO) and the exceptional mechanical properties of these alloys has remained elusive. The local destruction of SRO by dislocation glide has been predicted to lead to a rejuvenated state with increased entropy and free energy, creating softer zones within the matrix and planar fault boundaries that enhance the ductility, but this has not been verified. Here, we integrate in situ nanomechanical testing with energy-filtered four-dimensional scanning transmission electron microscopy (4D-STEM) and directly observe the rejuvenation during cyclic mechanical loading in single crystal CrCoNi at room temperature. Surprisingly, stacking faults (SFs) and twin boundaries (TBs) are reversible in initial cycles but become irreversible after a thousand cycles, indicating SF energy reduction and rejuvenation. Molecular dynamics (MD) simulation further reveals that the local breakdown of SRO in the MEA triggers these SF reversibility changes. As a result, the deformation features in HEAs/MEAs remain planar and highly localized to the rejuvenated planes, leading to the superior damage tolerance characteristic in this class of alloys.<\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Yang, Yang (ORCID:0000000200255914)","Yin, Sheng (ORCID:0000000187059950)","Yu, Qin (ORCID:0000000250990327)","Zhu, Yingxin","Ding, Jun (ORCID:0000000240918663)","Zhang, Ruopeng","Ophus, Colin (ORCID:0000000323488558)","Asta, Mark (ORCID:000000028968321X)","Ritchie, Robert O. (ORCID:0000000205016998)","Minor, Andrew M. (ORCID:0000000336068309)"],"article_type":"Published Article","doe_contract_number":"AC02-CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1402; PII: 45696"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305771"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305771"}]}, {"osti_id":"2316048","title":"On the force exerted on a non-spherical asymmetric dust grain from homogeneous, stationary, isotropic, non-magnetized plasma","doi":"10.1063/5.0183855","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physics of Plasmas; Journal Volume: 31; Journal Issue: 2","description":"Whereas the conventional wisdom suggests that the force between non-magnetized homogeneous, stationary, isotropic plasma, and the dust grain is only possible for the case of relative plasma–grain velocity, it is shown that stationary non-spherical asymmetric dust grain immersed in stationary, non-magnetized, isotropic plasma can experience a force caused by the grain–plasma interactions. The component of the force due to scattering of plasma particles in the limit of infinite Debye length is considered analytically. Both the particle scattering and absorption force components are modeled numerically in the limits of infinite and finite Debye length using a newly developed 2D3V Aspherical Particle-in-Cell code. The code simulates interactions of dust grain of selected non-spherical asymmetric shape with plasmas using dust shape conforming coordinates. Here, the simulations confirm the existence of the force on non-spherical asymmetric grain in stationary non-magnetized plasma and show that the plasma screening effects can lead to reversal of the force direction.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Physics of Plasmas","journal_issue":"2","journal_volume":"31","format":"Medium: ED; Size: Article No. 023702","authors":["Krasheninnikov, S. I. [University of California, San Diego, La Jolla, CA (United States)] (ORCID:0000000207865440)","Smirnov, R. D. [University of California, San Diego, La Jolla, CA (United States)] (ORCID:0000000291145330)"],"subjects":["Electrostatics","Interstellar material","Euclidean geometries","Partial differential equations","Particle scattering","Particle-in-cell method","Plasmas","Ion scattering","Navier Stokes equations","Maxwell-Boltzmann distribution"],"article_type":"Accepted Manuscript","doe_contract_number":"FG02-06ER54852","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[{"name":"University of California, San Diego, La Jolla, CA (United States)"}],"research_orgs":["University of California, San Diego, La Jolla, CA (United States)"],"journal_issn":"ISSN 1070-664X","other_identifiers":["Journal ID: ISSN 1070-664X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316048"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316048"}]}, {"osti_id":"2311890","title":"Electronic structure of nitrogen-doped lutetium hydrides","doi":"10.1103/physrevmaterials.8.l021801","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Materials; Journal Volume: 8; Journal Issue: 2","description":"First-principles density functional theory (DFT) calculations of supercell structures based on N-doped Fm $\\bar3$m LuH<sub>3<\/sub> reveal configurations of Fm $\\bar3$m Lu<sub>8<\/sub> H<sub>23–x<\/sub> N that exhibit novel electronic properties such as flat bands, sharply peaked densities of states (van Hove singularities, vHs), and intersecting Dirac cones near the Fermi energy (E<sub>F<\/sub>). These electronic properties are present when N substitutes H in the octahedral interstices of Fm $\\bar3$ m LuH<sub>3<\/sub>. These structures also exhibit an interconnected metallic hydrogen network, a common feature of high-T<sub>c<\/sub> hydride superconductors. Electronic property systematics gives an estimate of T<sub>c<\/sub> for one structure that is well above the critical temperatures predicted for structures considered previously. DFT + U has an especially strong effect on one of the structures considered, enhancing the vHs and flat bands near E<sub>F<\/sub>. Finally, these results provide a basis for understanding the electronic properties observed for nitrogen-doped lutetium hydride.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review Materials","journal_issue":"2","journal_volume":"8","format":"Medium: ED; Size: Article No. L021801","authors":["Denchfield, Adam [Univ. of Illinois, Chicago, IL (United States)] (ORCID:0000000170231291)","Park, Hyowon [Univ. of Illinois, Chicago, IL (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000246932415)","Hemley, Russell J. [Univ. of Illinois, Chicago, IL (United States)] (ORCID:0000000173988521)"],"subjects":["36 MATERIALS SCIENCE","composition","density of states","doping effects","electronic structure","fermi surface","flat bands","pressure effects","superconducting phase transition","high-temperature superconductors","hydrides","DFT+U","density functional theory"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003975; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Univ. of Illinois, Chicago, IL (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Univ. of Illinois, Chicago, IL (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 2475-9953","other_identifiers":["Journal ID: ISSN 2475-9953"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311890"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311890"}]}, {"osti_id":"2305549","title":"Modeling bacterial microcompartment architectures for enhanced cyanobacterial carbon fixation","doi":"10.3389/fpls.2024.1346759","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Plant Science Journal Volume: 15","description":"<p>\n The carboxysome is a bacterial microcompartment (BMC) which plays a central role in the cyanobacterial CO\n <sub>2<\/sub>\n -concentrating mechanism. These proteinaceous structures consist of an outer protein shell that partitions Rubisco and carbonic anhydrase from the rest of the cytosol, thereby providing a favorable microenvironment that enhances carbon fixation. The modular nature of carboxysomal architectures makes them attractive for a variety of biotechnological applications such as carbon capture and utilization.\n <italic>In silico<\/italic>\n approaches, such as molecular dynamics (MD) simulations, can support future carboxysome redesign efforts by providing new spatio-temporal insights on their structure and function beyond\n <italic>in vivo<\/italic>\n experimental limitations. However, specific computational studies on carboxysomes are limited. Fortunately, all BMC (including the carboxysome) are highly structurally conserved which allows for practical inferences to be made between classes. Here, we review simulations on BMC architectures which shed light on (1) permeation events through the shell and (2) assembly pathways. These models predict the biophysical properties surrounding the central pore in BMC-H shell subunits, which in turn dictate the efficiency of substrate diffusion. Meanwhile, simulations on BMC assembly demonstrate that assembly pathway is largely dictated kinetically by cargo interactions while final morphology is dependent on shell factors. Overall, these findings are contextualized within the wider experimental BMC literature and framed within the opportunities for carboxysome redesign for biomanufacturing and enhanced carbon fixation.\n <\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Plant Science","journal_volume":"15","format":"Medium: X","authors":["Trettel, Daniel S.","Pacheco, Sara L.","Laskie, Asa K.","Gonzalez-Esquer, C. Raul"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1664-462X","other_identifiers":["Journal ID: ISSN 1664-462X; 1346759"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305549"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305549"}]}, {"osti_id":"2305554","title":"Adaptive nonequilibrium design of actin-based metamaterials: Fundamental and practical limits of control","doi":"10.1073/pnas.2310238121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 8","description":"<p>The adaptive and surprising emergent properties of biological materials self-assembled in far-from-equilibrium environments serve as an inspiration for efforts to design nanomaterials. In particular, controlling the conditions of self-assembly can modulate material properties, but there is no systematic understanding of either how to parameterize external control or how controllable a given material can be. Here, we demonstrate that branched actin networks can be encoded with metamaterial properties by dynamically controlling the applied force under which they grow and that the protocols can be selected using multi-task reinforcement learning. These actin networks have tunable responses over a large dynamic range depending on the chosen external protocol, providing a pathway to encoding “memory” within these structures. Interestingly, we obtain a bound that relates the dissipation rate and the rate of “encoding” that gives insight into the constraints on control—both physical and information theoretical. Taken together, these results emphasize the utility and necessity of nonequilibrium control for designing self-assembled nanostructures.<\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"8","journal_volume":"121","format":"Medium: X","authors":["Chennakesavalu, Shriram [Department of Chemistry, Stanford University, Stanford, CA 94305] (ORCID:0000000247508923)","Manikandan, Sreekanth K. [Department of Chemistry, Stanford University, Stanford, CA 94305]","Hu, Frank [Department of Chemistry, Stanford University, Stanford, CA 94305]","Rotskoff, Grant M. [Department of Chemistry, Stanford University, Stanford, CA 94305, Institute for Computational and Mathematical Engineering, Stanford University, Stanford, CA 94305] (ORCID:0000000277725179)"],"article_type":"Published Article","doe_contract_number":"SC0022917","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2310238121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305554"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305554"}]}, {"osti_id":"2310279","title":"Viscosities of the Baryon-Rich Quark-Gluon Plasma from Beam Energy Scan Data","report_number":"BNL-225270-2024-JAAM","doi":"10.1103/physrevlett.132.072301","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters; Journal Volume: 132; Journal Issue: 7","description":"Here, this work presents the first Bayesian inference study of the (3 + 1)D dynamics of relativistic heavy-ion collisions and quark-gluon plasma viscosities using an event-by-event (3 + 1)D hydrodynamics + hadronic transport theoretical framework and data from the Relativistic Heavy Ion Collider Beam energy scan program. Robust constraints on initial state nuclear stopping and the baryon chemical potential-dependent shear viscosity of the produced quantum chromodynamic (QCD) matter are obtained. The specific bulk viscosity of the QCD matter is found to exhibit a preferred maximum around $\\sqrt{s_{NN}}$ = 19.6 GeV . This result allows for the alternative interpretation of a reduction (and/or increase) of the speed of sound relative to that of the employed lattice-QCD based equation of state for net baryon chemical potential μ<sub>B<\/sub> ~0.2(0.4) GeV .","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review Letters","journal_issue":"7","journal_volume":"132","format":"Medium: ED; Size: Article No. 072301","authors":["Shen, Chun [Wayne State Univ., Detroit, MI (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States). RIKEN Research Center] (ORCID:0000000266774784)","Schenke, Björn [Brookhaven National Laboratory (BNL), Upton, NY (United States)]","Zhao, Wenbin [Wayne State Univ., Detroit, MI (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); University of California, Berkeley, CA (United States)] (ORCID:0000000183246134)"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS","collective flow","hydrodynamic models","quark-gluon plasma","transport in heavy-ion collisions","relativistic heavy-ion collisions"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0012704; SC0021969; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)"],"journal_issn":"ISSN 0031-9007","other_identifiers":["Journal ID: ISSN 0031-9007"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310279"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310279"}]}, {"osti_id":"2305587","title":"Advances in complex oxide quantum materials through new approaches to molecular beam epitaxy","doi":"10.1088/1361-6463/ad2569","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Physics. D, Applied Physics Journal Volume: 57 Journal Issue: 19","description":"<title>Abstract<\/title>\n <p>Molecular beam epitaxy (MBE), a workhorse of the semiconductor industry, has progressed rapidly in the last few decades in the development of novel materials. Recent developments in condensed matter and materials physics have seen the rise of many novel quantum materials that require ultra-clean and high-quality samples for fundamental studies and applications. Novel oxide-based quantum materials synthesized using MBE have advanced the development of the field and materials. In this review, we discuss the recent progress in new MBE techniques that have enabled synthesis of complex oxides that exhibit ‘quantum’ phenomena, including superconductivity and topological electronic states. We show how these techniques have produced breakthroughs in the synthesis of 4d and 5d oxide films and heterostructures that are of particular interest as quantum materials. These new techniques in MBE offer a bright future for the synthesis of ultra-high quality oxide quantum materials.<\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"IOP Publishing","journal_name":"Journal of Physics. D, Applied Physics","journal_issue":"19","journal_volume":"57","format":"Medium: X; Size: Article No. 193001","authors":["Rimal, Gaurab (ORCID:0000000279917772)","Comes, Ryan B. (ORCID:0000000253046921)"],"article_type":"Published Article","doe_contract_number":"SC0023478","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-3727","other_identifiers":["Journal ID: ISSN 0022-3727"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305587"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305587"}]}, {"osti_id":"2317776","title":"Life Cycle Assessment and Life Cycle Cost Analysis of Repurposing Decommissioned Wind Turbine Blades as High-Voltage Transmission Poles","doi":"10.1061/jcemd4.coeng-13718","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Construction Engineering and Management; Journal Volume: 150; Journal Issue: 5","description":"Wind energy is widely deployed and will likely grow in service of reducing the world’s dependency on fossil fuels. The first generation of wind turbines are now coming to the end of their service lives, and there are limited options for the reuse or recycling of the composite materials they are made of. Current literature has verified that there is no existing recycling pathway (i.e., mechanical, chemical, thermal methods of recovery, etc.) for end-of-life materials in wind blades that can meet cost parity with landfilling in the US. However, to the authors’ knowledge there is no study to date that uncovers the cost structures associated with repurposing wind turbine blades in the US. Repurposing could offer a cost-competitive advantage through displacement of higher-value products, rather than materials or chemical constituents alone. This study implements life cycle assessment (LCA) and life cycle cost analysis (LCC) to assess the environmental and financial implications at each stage of repurposing wind turbine blades as the primary load-carrying elements for high-voltage transmission line structures in the United States. This case study contribution to knowledge is based on the successful management of construction waste by analyzing an application for repurposing construction demolition waste. Specifically, this study presents an environmental and financial analysis of repurposing wind turbine blades as transmission line poles. Under this case study, our results show that BladePoles have lower greenhouse gas emissions than steel poles, and we anticipate BladePoles will be less costly than steel poles. Overall emissions are most sensitive to combustion emissions, driven primarily by transportation distance and hours of required crane operations during the installation process. Compared to other evaluated recycling methods, repurposing wind blades as BladePoles has the least overall global warming potential.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Society of Civil Engineers","journal_name":"Journal of Construction Engineering and Management","journal_issue":"5","journal_volume":"150","format":"Medium: ED; Size: p. 1-15","authors":["Henao, Yulizza [Georgia Institute of Technology, Atlanta, GA (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000166643541)","Grubert, Emily [University of Notre Dame, IN (United States)] (ORCID:0000000321967571)","Korey, Matthew [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Bank, Lawrence C. [Georgia Institute of Technology, Atlanta, GA (United States)] (ORCID:0000000242794473)","Gentry, Russell [Georgia Institute of Technology, Atlanta, GA (United States)]"],"subjects":["BladePole","Construction","Transmission pole","Life cycle assessment (LCA)","Life cycle costs (LCC)","Repurposing","Wind turbine blades"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; 2016409","orgs_sponsor":[{"name":"USDOE"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0733-9364","other_identifiers":["Journal ID: ISSN 0733-9364"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317776"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2317776"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317776"}]}, {"osti_id":"2309789","title":"BOSS quasar outflows traced by C \n <scp>iv<\/scp>","doi":"10.1093/mnras/stae429","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 528 Journal Issue: 4","description":"<title>ABSTRACT<\/title>\n <p>We investigate possible factors that drive fast quasar outflows using a sample of 39 249 quasars at median redshift 〈z〉 ≈ 2.17. Unique to this study, the quasar redshifts are re-measured based on the Mg ii emission line, and explore unprecedented outflow velocities (>6000 km s−1), while maintaining statistical significance. We measure reliable C iv blueshifts for 1178 quasars with velocities >2500 km s−1. From those, 255(13) quasars have blueshifts above 4000(6000) km s−1, with the highest C iv velocity ≈7000 km s−1. Several correlations are observed, where higher C iv blueshifts in general are in quasars with broader, weaker C iv emission profiles, weak He ii emission, larger Eddington ratios, and bluer ultraviolet (UV) continuum slope across the rest-frame UV to near-infrared. Analysis reveals two primary factors contributing to faster outflows: higher Eddington ratios, and softer far-UV continuum (hν >24.6 eV). We find supporting evidence that radiative line driving may generate extreme outflow velocities, influenced by multiple factors as suggested by the aforementioned correlations. This evidence highlights the importance of considering a multidimensional parameter space in future studies when analyzing large C iv blueshifts to determine the fundamental causes of outflows.<\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"4","journal_volume":"528","format":"Medium: X; Size: p. 6425-6443","authors":["Gillette, Jarred (ORCID:0000000185284839)","Hamann, Fred"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309789"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309789"}]}, {"osti_id":"2305547","title":"Arbuscular mycorrhiza convey significant plant carbon to a diverse hyphosphere microbial food web and mineral‐associated organic matter","doi":"10.1111/nph.19560","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: New Phytologist","description":"<title>Summary<\/title>\n <p>\n <list list-type=\'bullet\'>\n <list-item>\n <p>\n Arbuscular mycorrhizal fungi (AMF) transport substantial plant carbon (C) that serves as a substrate for soil organisms, a precursor of soil organic matter (SOM), and a driver of soil microbial dynamics. Using two‐chamber microcosms where an air gap isolated AMF from roots, we\n <sup>13<\/sup>\n CO\n <sub>2<\/sub>\n ‐labeled\n <italic>Avena barbata<\/italic>\n for 6 wk and measured the C\n <italic>Rhizophagus intraradices<\/italic>\n transferred to SOM and hyphosphere microorganisms.\n <\/p>\n <\/list-item>\n <list-item>\n <p>\n NanoSIMS imaging revealed hyphae and roots had similar\n <sup>13<\/sup>\n C enrichment. SOM density fractionation,\n <sup>13<\/sup>\n C NMR, and IRMS showed AMF transferred 0.77 mg C g\n <sup>−1<\/sup>\n of soil (increasing total C by 2% relative to non‐mycorrhizal controls); 33% was found in occluded or mineral‐associated pools.\n <\/p>\n <\/list-item>\n <list-item>\n <p>\n In the AMF hyphosphere, there was no overall change in community diversity but 36 bacterial ASVs significantly changed in relative abundance. With stable isotope probing (SIP)‐enabled shotgun sequencing, we found taxa from the Solibacterales, Sphingobacteriales, Myxococcales, and Nitrososphaerales (ammonium oxidizing archaea) were highly enriched in AMF‐imported\n <sup>13<\/sup>\n C (> 20 atom%). Mapping sequences from\n <sup>13<\/sup>\n C‐SIP metagenomes to total ASVs showed at least 92 bacteria and archaea were significantly\n <sup>13<\/sup>\n C‐enriched.\n <\/p>\n <\/list-item>\n <list-item>\n <p>Our results illustrate the quantitative and ecological impact of hyphal C transport on the formation of potentially protective SOM pools and microbial roles in the AMF hyphosphere soil food web.<\/p>\n <\/list-item>\n <\/list>\n <\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"New Phytologist","format":"Medium: X","authors":["Kakouridis, Anne [University of California Berkeley Berkeley CA 94720 USA, Lawrence Berkeley National Laboratory Berkeley CA 94720 USA] (ORCID:0000000316273444)","Yuan, Mengting [University of California Berkeley Berkeley CA 94720 USA] (ORCID:0000000300173908)","Nuccio, Erin E. [Lawrence Livermore National Laboratory Livermore 94550 CA USA] (ORCID:000000030189183X)","Hagen, John A. [University of California Berkeley Berkeley CA 94720 USA] (ORCID:0000000273969707)","Fossum, Christina A. [University of California Berkeley Berkeley CA 94720 USA] (ORCID:000000026499357X)","Moore, Madeline L. [University of California Berkeley Berkeley CA 94720 USA, Lawrence Berkeley National Laboratory Berkeley CA 94720 USA] (ORCID:0000000248646527)","Estera‐Molina, Katerina Y. [University of California Berkeley Berkeley CA 94720 USA, Lawrence Livermore National Laboratory Livermore 94550 CA USA] (ORCID:0000000152178757)","Nico, Peter S. [Lawrence Berkeley National Laboratory Berkeley CA 94720 USA] (ORCID:0000000241809397)","Weber, Peter K. [Lawrence Livermore National Laboratory Livermore 94550 CA USA] (ORCID:0000000160226050)","Pett‐Ridge, Jennifer [Lawrence Livermore National Laboratory Livermore 94550 CA USA, University of California Merced Merced 95343 CA USA] (ORCID:0000000244392398)","Firestone, Mary K. [University of California Berkeley Berkeley CA 94720 USA] (ORCID:0000000242893244)"],"article_type":"Published Article","doe_contract_number":"DE‐AC52‐07NA27344","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0028-646X","other_identifiers":["Journal ID: ISSN 0028-646X; nph.19560"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305547"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305547"}]}, {"osti_id":"2281042","title":"Black goes green: single-step solvent exchange for sol-gel synthesis of carbon spherogels as high-performance supercapacitor electrodes","doi":"10.1039/D3YA00480E","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Energy Advances Journal Volume: 3 Journal Issue: 2","description":"<p>The novel synthesis of carbon spherogels in organic solvents enables energy and solvent savings and omits supercritical drying. In addition, the resulting carbon spherogels feature excellent capacitance for energy storage in a supercapacitor setup.<\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Energy Advances","journal_issue":"2","journal_volume":"3","format":"Medium: X; Size: p. 482-494","authors":["Salihovic, Miralem [Chemistry and Physics of Materials, University of Salzburg, 5020 Salzburg, Austria]","Pameté, Emmanuel [INM – Leibniz Institute for New Materials, Campus D2 2, 66123, Saarbrücken, Germany] (ORCID:0000000208000772)","Arnold, Stefanie [INM – Leibniz Institute for New Materials, Campus D2 2, 66123, Saarbrücken, Germany, Department of Materials Science & Engineering, Saarland University, Campus D2 2, 66123, Saarbrücken, Germany] (ORCID:0000000249544610)","Sulejmani, Irena [Chemistry and Physics of Materials, University of Salzburg, 5020 Salzburg, Austria]","Bartschmid, Theresa [Chemistry and Physics of Materials, University of Salzburg, 5020 Salzburg, Austria]","Hüsing, Nicola [Chemistry and Physics of Materials, University of Salzburg, 5020 Salzburg, Austria] (ORCID:0000000322749779)","Fritz-Popovski, Gerhard [Institute of Physics, Montanuniversitaet Leoben, 8700 Leoben, Austria]","Dun, Chaochao [The Molecular Foundry, Lawrence Berkeley National Laboratory Berkeley, Berkeley, CA, 94720, USA] (ORCID:0000000232156478)","Urban, Jeffrey J. [The Molecular Foundry, Lawrence Berkeley National Laboratory Berkeley, Berkeley, CA, 94720, USA] (ORCID:0000000349092869)","Presser, Volker [INM – Leibniz Institute for New Materials, Campus D2 2, 66123, Saarbrücken, Germany, Department of Materials Science & Engineering, Saarland University, Campus D2 2, 66123, Saarbrücken, Germany, Saarene – Saarland Center for Energy Materials and Sustainability, Campus C4 2, 66123 Saarbrücken, Germany] (ORCID:0000000321810590)","Elsaesser, Michael S. [Chemistry and Physics of Materials, University of Salzburg, 5020 Salzburg, Austria] (ORCID:0000000246759819)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2753-1457","other_identifiers":["Journal ID: ISSN 2753-1457; EANDBJ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281042"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281042"}]}, {"osti_id":"2305792","title":"Pressure control of magnetic order and excitations in the pyrochlore antiferromagnet\n <math>\n <mrow>\n <msub>\n <mi>MgCr<\/mi>\n <mn>2<\/mn>\n <\/msub>\n <msub>\n <mi mathvariant=\'normal\'>O<\/mi>\n <mn>4<\/mn>\n <\/msub>\n <\/mrow>\n <\/math>","doi":"10.1103/PhysRevB.109.064415","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B Journal Volume: 109 Journal Issue: 6","description":"MgCr<sub>2<\/sub>O<sub>4<\/sub> is one of the best-known realizations of the pyrochlore-lattice Heisenberg antiferromagnet. The strong antiferromagnetic exchange interactions are perturbed by small further-neighbor exchanges such that this compound may in principle realize a spiral spin liquid (SSL) phase in the zero-temperature limit. However, a spin Jahn-Teller transition below T<sub>N<\/sub> ≈ 13 K yields a complicated long-range magnetic order with multiple coexisting propagation vectors. We present neutron scattering and thermomagnetic measurements of MgCr<sub>2<\/sub>O<sub>4<\/sub> samples under applied hydrostatic pressure up to P = 1.7 GPa demonstrating the existence of multiple close-lying nearly degenerate magnetic ground states. We show that the application of hydrostatic pressure increases the ordering temperature by around 0.8 K per GPa and increases the bandwidth of the magnetic excitations by around 0.5 meV per GPa. We also evidence a strong tendency for the preferential occupation of a subset of magnetic domains under pressure. In particular, we show that the $k$ = (0,0,1) magnetic phase, which is almost negligible at ambient pressure, dramatically increases in spectral weight under pressure. This modifies the spectrum of magnetic excitations, which we interpret unambiguously as spin waves from multiple magnetic domains. Moreover, we report that the application of pressure reveals a feature in the magnetic susceptibility above the magnetostructural transition. We interpret this as the onset of a short-range ordered phase associated with $k$ = (0,0,1), previously not observed in magnetometry measurements.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. B","journal_issue":"6","journal_volume":"109","format":"Medium: X","authors":["Nassar, L. S. (ORCID:0000000275172865)","Lane, H.","Haberl, B. (ORCID:0000000273916031)","Graves-Brook, M.","Winn, B.","Koohpayeh, S. M.","Mourigal, M. (ORCID:0000000327728440)"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY"],"article_type":"Published Article","doe_contract_number":"SC-0018660; AC05-00OR22725; SC0018660; SC0019331; ECCS-2025462","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Georgia Institute of Technology, Atlanta, GA (United States)"},{"name":"Johns Hopkins Univ., Baltimore, MD (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Georgia Institute of Technology, Atlanta, GA (United States)","Johns Hopkins Univ., Baltimore, MD (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950; PRBMDO; 064415"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305792"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305792"}]}, {"osti_id":"2305749","title":"Detection of small drizzle droplets in a large cloud chamber using ultrahigh-resolution radar","doi":"10.5194/amt-17-1133-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Atmospheric Measurement Techniques (Online) Journal Volume: 17 Journal Issue: 3","description":"<p>Abstract. A large convection–cloud chamber has the potential to produce drizzle-sized droplets, thus offering a new opportunity to investigate aerosol–cloud–drizzle interactions at a fundamental level under controlled environmental conditions. One key measurement requirement is the development of methods to detect the low-concentration drizzle drops in such a large cloud chamber. In particular, remote sensing methods may overcome some limitations of in situ methods. Here, the potential of an ultrahigh-resolution radar to detect the radar return signal of a small drizzle droplet against the cloud droplet background signal is investigated. It is found that using a small sampling volume is critical to drizzle detection in a cloud chamber to allow a drizzle drop in the radar sampling volume to dominate over the background cloud droplet signal. For instance, a radar volume of 1 cubic centimeter (cm3) would enable the detection of drizzle embryos with diameter larger than 40 µm. However, the probability of drizzle sampling also decreases as the sample volume reduces, leading to a longer observation time. Thus, the selection of radar volume should consider both the signal power and the drizzle occurrence probability. Finally, observations from the Pi Convection–Cloud Chamber are used to demonstrate the single-drizzle-particle detection concept using small radar volume. The results presented in this study also suggest new applications of ultrahigh-resolution cloud radar for atmospheric sensing.<\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Atmospheric Measurement Techniques (Online)","journal_issue":"3","journal_volume":"17","format":"Medium: X; Size: p. 1133-1143","authors":["Zhu, Zeen (ORCID:0000000346715573)","Yang, Fan (ORCID:0000000188666664)","Kollias, Pavlos","Shaw, Raymond A. (ORCID:0000000303902424)","Kostinski, Alex B.","Krueger, Steve","Lamer, Katia (ORCID:0000000283285704)","Allwayin, Nithin (ORCID:0000000263813303)","Oue, Mariko (ORCID:0000000182230261)"],"article_type":"Published Article","doe_contract_number":"SC0012704","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1867-8548","other_identifiers":["Journal ID: ISSN 1867-8548"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305749"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305749"}]}, {"osti_id":"2305768","title":"A differentiable simulation package for performing inference of synchrotron-radiation-based diagnostics","doi":"10.1107/S1600577524000663","product_type":"Journal Article","language":"English","country_publication":"Denmark","relation":"Journal Name: Journal of Synchrotron Radiation (Online) Journal Volume: 31 Journal Issue: 2","description":"The direction of particle accelerator development is ever-increasing beam quality, currents and repetition rates. This poses a challenge to traditional diagnostics that directly intercept the beam due to the mutual destruction of both the beam and the diagnostic. An alternative approach is to infer beam parameters non-invasively from the synchrotron radiation emitted in bending magnets. However, inferring the beam distribution from a measured radiation pattern is a complex and computationally expensive task. To address this challenge we present SYRIPY (SYnchrotron Radiation In PYthon), a software package intended as a tool for performing inference of synchrotron-radiation- based diagnostics. SYRIPY has been developed using PyTorch, which makes it both differentiable and able to leverage the high performance of GPUs, two vital characteristics for performing statistical inference. The package consists of three modules: a particle tracker, Lienard–Wiechert solver and Fourier optics propagator, allowing start-to-end simulation of synchrotron radiation detection to be carried out. SYRIPY has been benchmarked against SRW, the prevalent numerical package in the field, showing good agreement and up to a 50 speed improvement. Finally, we have demonstrated how SYRIPY can be used to perform Bayesian inference of beam parameters using stochastic variational inference.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"International Union of Crystallography (IUCr)","journal_name":"Journal of Synchrotron Radiation (Online)","journal_issue":"2","journal_volume":"31","format":"Medium: X; Size: p. 409-419","authors":["Watt, Robbie","O\'Shea, Brendan (ORCID:0000000327883248)"],"article_type":"Published Article","doe_contract_number":"AC02-76SF00515","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)"}],"research_orgs":["SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)"],"journal_issn":"ISSN 1600-5775","other_identifiers":["Journal ID: ISSN 1600-5775; JSYRES; PII: S1600577524000663"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305768"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305768"}]}, {"osti_id":"2315663","title":"Gas Permeation and Separation Characteristics of Microporous TpHz COF Membranes Synthesized by Substrate-Assisted Interfacial Polymerization","report_number":"LA-UR-23-33431","doi":"10.1021/acs.iecr.3c04303","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Industrial and Engineering Chemistry Research; Journal Volume: 63; Journal Issue: 8","description":"Microporous two-dimensional covalent organic framework (2D COF) membranes offer promise for gas separation applications, but their gas transport mechanism remains unclear. In this study, a TpHz 2D COF membrane supported on a macroporous nylon substrate is prepared by substrate-assisted interfacial polymerization under mild conditions. The formation of a continuous and dense thin (~300 nm thick) TpHz layer is confirmed by scanning electron microscopy and Fourier transform infrared spectroscopy. Characterization by X-ray diffraction, grazing incidence wide-angle X-ray scattering, and N<sub>2<\/sub> porosimetry qualitatively reveals the microstructures of the supported TpHz membranes, i.e., they comprise partially oriented 2D COF lamellar crystallites with moderate crystallinity in an eclipsed (AA) stacking geometry, centering the effective membrane pore size distribution at ~1.1 nm. Further, single gas permeation data show that the transport of common molecular gases, including H<sub>2<\/sub>, He, CH<sub>4<\/sub>, N<sub>2<\/sub>, and CO<sub>2<\/sub>, through the synthesized TpHz membranes follows the Knudsen transport mechanism, where single gas permeance decreases with an increasing molecular weight and permeation temperature. Binary gas separation results show that in the equimolar CO<sub>2<\/sub>/N<sub>2<\/sub> mixture, the presence of the CO<sub>2<\/sub> surface flow slightly hinders the N<sub>2<\/sub> flow at room temperature due to the reduced membrane channel size by the adsorbed CO<sub>2<\/sub> gas layer on TpHz’s pore wall. In contrast, permeation of the equimolar CH<sub>4<\/sub>/N<sub>2<\/sub> binary mixture does not exhibit a discernible surface flow of both gases due to their much lower gas uptake on TpHz, and their transport mechanism follows Knudsen-like behavior.","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"Industrial and Engineering Chemistry Research","journal_issue":"8","journal_volume":"63","format":"Medium: ED; Size: p. 3684-3694","authors":["Lopez-Cazares, Jose Edgardo [Arizona State Univ., Tempe, AZ (United States)]","Kim, Kyungtae [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000232068494)","Lin, Jerry S. [Arizona State Univ., Tempe, AZ (United States)] (ORCID:0000000159058336)","Jin, Kailong [Arizona State Univ., Tempe, AZ (United States)] (ORCID:0000000154283227)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Material science","Amides","Covalent organic frameworks","Membranes","Organic polymers","Selectivity"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001; CBET-2216843; 65612-DNI5; CBET-2031087","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"National Science Foundation (NSF)"},{"name":"ACS-Petroleum Research Fund (PRF)"}],"sponsor_orgs":["USDOE Office of Science (SC)","USDOE National Nuclear Security Administration (NNSA)","National Science Foundation (NSF)","ACS-Petroleum Research Fund (PRF)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0888-5885","other_identifiers":["Journal ID: ISSN 0888-5885"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315663"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315663"}]}, {"osti_id":"2305555","title":"Synthesis of 2D layered transition metal (Ni, Co) hydroxides via edge-on condensation","doi":"10.1038/s41598-024-53969-2","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Scientific Reports Journal Volume: 14 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Layered transition metal hydroxides (LTMHs) with transition metal centers sandwiched between layers of coordinating hydroxide anions have attracted considerable interest for their potential in developing clean energy sources and storage technologies. However, two-dimensional (2D) LTMHs remain largely understudied in terms of physical properties and applications in electronic devices. Here, for the first time we report > 20 μm α-Ni(OH)\n <sub>2<\/sub>\n 2D crystals, synthesized from hydrothermal reaction. And an edge-on condensation mechanism assisted with the crystal field geometry is proposed to understand the 2D intra-planar growth of the crystals, which is also testified through series of systematic comparative studies. We also report the successful synthesis of 2D Co(OH)\n <sub>2<\/sub>\n crystals (> 40 μm) with more irregular shape due to the slightly distorted octahedral geometry of the crystal field. Moreover, the detailed structural characterization of synthesized α-Ni(OH)\n <sub>2<\/sub>\n are performed. The optical band gap energy is extrapolated as 2.54 eV from optical absorption measurements and the electronic bandgap is measured as 2.52 eV from reflected electrons energy loss spectroscopy (REELS). We further demonstrate its potential as a wide bandgap (WBG) semiconductor for high voltage operation in 2D electronics with a high breakdown strength, 4.77 MV/cm with 4.9 nm thickness. The successful realization of the 2D LTMHs opens the door for future exploration of more fundamental physical properties and device applications.\n <\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: X","authors":["Ping, Lu","Minarik, Gillian E.","Gao, Hongze","Cao, Jun","Li, Tianshu","Kitadai, Hikari","Ling, Xi"],"article_type":"Published Article","doe_contract_number":"SC0021064; 1945364","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; 3817; PII: 53969"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305555"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305555"}]}, {"osti_id":"2305566","title":"Accounting for nonuniformity of bulk‐solvent: A mosaic model","doi":"10.1002/pro.4909","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Protein Science Journal Volume: 33 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n A flat mask‐based model is almost universally used in macromolecular crystallography to account for disordered (bulk) solvent. This model assumes any voxel of the crystal unit cell that is not occupied by the atomic model is occupied by the solvent. The properties of this solvent are assumed to be exactly the same across the whole volume of the unit cell. While this is a reasonable approximation in practice, there are a number of scenarios where this model becomes suboptimal. In this work, we enumerate several of these scenarios and describe a new generalized approach to modeling the bulk‐solvent which we refer to as mosaic bulk‐solvent model. The mosaic bulk‐solvent model allows nonuniform features of the solvent in the crystal to be accounted for in a computationally efficient way. It is implemented in the computational crystallography toolbox and the\n <italic>Phenix<\/italic>\n software.\n <\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Protein Science","journal_issue":"3","journal_volume":"33","format":"Medium: X","authors":["Afonine, Pavel V. [Molecular Biophysics &, Integrated Bioimaging Division Lawrence Berkeley National Laboratory Berkeley California USA] (ORCID:000000025052991X)","Adams, Paul D. [Molecular Biophysics &, Integrated Bioimaging Division Lawrence Berkeley National Laboratory Berkeley California USA, Department of Bioengineering University of California Berkeley Berkeley California USA]","Sobolev, Oleg V. [Molecular Biophysics &, Integrated Bioimaging Division Lawrence Berkeley National Laboratory Berkeley California USA]","Urzhumtsev, Alexandre G. [Centre for Integrative Biology Institut de Génétique et de Biologie Moléculaire et Cellulaire, CNRS–INSERM‐UdS Illkirch France, Université de Lorraine, Faculté des Sciences et Technologies Vandoeuvre‐les‐Nancy France]"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"DE‐AC02‐05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0961-8368","other_identifiers":["Journal ID: ISSN 0961-8368; e4909"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305566"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305566"}]}, {"osti_id":"2305752","title":"An Effective Earned Value Management System (EVMS) is a Team Sport","doi":"10.1177/87569728231226226","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Project Management Journal","description":"<p>We present a novel framework to assess 27 earned value management system (EVMS) environment factors and investigate their impact on project performance. A study of the EVMS literature, a survey of practitioners, and focus group meetings with 36 EVMS industry and government experts, supported the development of the framework. Focus groups involving 80 practitioners refined and tested it. We analyzed performance data from 35 completed projects/programs representing over US$21.8 billion in total cost; a project demonstrating a positive environment could save up to 25% in cost versus baseline. Practitioners can develop an effective EVMS environment by following the provided guidance.<\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"SAGE Publications","journal_name":"Project Management Journal","format":"Medium: X","authors":["Aramali, Vartenie [Department of Civil Engineering and Construction Management, California State University, Northridge, CA, USA] (ORCID:0000000216315360)","Gibson, Jr., G. Edward [School of Sustainable Engineering and the Built Environment, Arizona State University, Tempe, AZ, USA]","Asmar, Mounir El [National Center of Excellence on SMART Innovations, School of Sustainable Engineering and the Built Environment, Arizona State University, Tempe, AZ, USA]","Sanboskani, Hala [School of Sustainable Engineering and the Built Environment, Arizona State University, Tempe, AZ, USA] (ORCID:0000000186441840)"],"article_type":"Published Article","doe_contract_number":"DOEPM.400211.TS-003.ASU","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 8756-9728","other_identifiers":["Journal ID: ISSN 8756-9728; 87569728231226226"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305752"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305752"}]}, {"osti_id":"2008086","title":"Study of azimuthal anisotropy of $\\Upsilon$ (1S) mesons in pPb collisions at $\\sqrt{S_{NN}}$ = 8.16 TeV","report_number":"CMS-HIN-21-001; CERN-EP-2023-164; FERMILAB-PUB-23-576-CMS; arXiv:2310.03233","doi":"10.1016/j.physletb.2024.138518","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physics Letters. B; Journal Volume: 850","description":"The azimuthal anisotropy of Image 1 mesons in high-multiplicity proton-lead collisions is studied using data collected by the CMS experiment at a nucleon-nucleon center-of-mass energy of 8.16 TeV. The Image 1 mesons are reconstructed using their dimuon decay channel. The anisotropy is characterized by the second Fourier harmonic coefficients, found using a two-particle correlation technique, in which the Image 1 mesons are correlated with charged hadrons. A large pseudorapidity gap is used to suppress short-range correlations. Nonflow contamination from the dijet background is removed using a low-multiplicity subtraction method, and the results are presented as a function of Image 1 transverse momentum. The azimuthal anisotropies are smaller than those found for charmonia in proton-lead collisions at the same collision energy, but are consistent with values found for Image 1 mesons in lead-lead interactions at a nucleon-nucleon center-of-mass energy of 5.02 TeV.","publication_date":"2024-03-01T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Elsevier","journal_name":"Physics Letters. B","journal_volume":"850","format":"Medium: ED; Size: Article No. 138518","authors":["Tumasyan, A. [Yerevan Physics Institute, Yerevan (Armenia); CMS Collaboration. et al.] (ORCID:0009000006846742)","Adam, W. (ORCID:0000000190994341)","Andrejkovic, J. W.","Bergauer, T. (ORCID:0000000257860293)","Chatterjee, S. (ORCID:0000000326600349)","Damanakis, K. (ORCID:0000000153892872)","Dragicevic, M. (ORCID:0000000319676783)","Escalante Del Valle, A. (ORCID:0000000297026359)","Hussain, P. S. (ORCID:0000000248255278)","Jeitler, M. (ORCID:0000000251419560)","Krammer, N. (ORCID:0000000205480985)","Lechner, L. (ORCID:0000000230651141)","Liko, D. (ORCID:000000023380473X)","Mikulec, I. (ORCID:0000000303852746)","Paulitsch, P.","Pitters, F. M.","Schieck, J. (ORCID:0000000210588093)","Schöfbeck, R. (ORCID:0000000223328784)","Schwarz, D. (ORCID:0000000238217331)","Sonawane, M. (ORCID:0000000305107010)","Templ, S. (ORCID:0000000331375692)","Waltenberger, W. (ORCID:0000000262157228)","Wulz, C. -E. (ORCID:0000000192265812)","Darwish, M. R. (ORCID:0000000328942377)","Janssen, T. (ORCID:0000000239984081)","Kello, T.","Rejeb Sfar, H.","Van Mechelen, P. (ORCID:0000000287319051)","Bols, E. S. (ORCID:0000000285648732)","D\'Hondt, J. (ORCID:0000000295986241)","De Moor, A. (ORCID:0000000159641935)","Delcourt, M. (ORCID:0000000182061787)","El Faham, H. (ORCID:0000000188942390)","Lowette, S. (ORCID:0000000339849987)","Moortgat, S. (ORCID:0000000266123420)","Morton, A. (ORCID:0000000299193492)","Müller, D. (ORCID:0000000217524527)","Sahasransu, A. R. (ORCID:0000000315051743)","Tavernier, S. (ORCID:0000000267929522)","Van Doninck, W.","Vannerom, D. (ORCID:0000000227475095)","Clerbaux, B. (ORCID:0000000185478211)","De Lentdecker, G. (ORCID:0000000151247693)","Favart, L. (ORCID:0000000316457454)","Hohov, D. (ORCID:0000000247601597)","Jaramillo, J. (ORCID:0000000338856608)","Lee, K. (ORCID:0000000308084184)","Mahdavikhorrami, M. (ORCID:0000000282653595)","Makarenko, I. (ORCID:0000000285534508)","Malara, A. (ORCID:0000000186459282)","Paredes, S. (ORCID:0000000184879603)","Pétré, L. (ORCID:0009000079795771)","Postiau, N.","Thomas, L. (ORCID:0000000227563853)","Vanden Bemden, M. (ORCID:0009000077257945)","Vander Velde, C. (ORCID:0000000333927294)","Vanlaer, P. (ORCID:0000000279314496)","Dobur, D. (ORCID:0000000300124866)","Knolle, J. (ORCID:0000000247815704)","Lambrecht, L. (ORCID:0000000191081560)","Mestdach, G.","Niedziela, M. (ORCID:0000000157452567)","Rendón, C.","Roskas, C. (ORCID:000000026469959X)","Samalan, A.","Skovpen, K. (ORCID:0000000211600621)","Tytgat, M. (ORCID:0000000239902074)","Van Den Bossche, N. (ORCID:0000000329734991)","Vermassen, B.","Wezenbeek, L. (ORCID:000000016952891X)","Benecke, A. (ORCID:0000000302523609)","Bruno, G. (ORCID:0000000188578197)","Bury, F. (ORCID:0000000230772090)","Caputo, C. (ORCID:0000000175224808)","David, P. (ORCID:0000000192609371)","Delaere, C. (ORCID:0000000187076021)","Donertas, I. S. (ORCID:000000017485412X)","Giammanco, A. (ORCID:0000000196408294)","Jaffel, K. (ORCID:0000000174194248)","Jain, Sa (ORCID:0000000150783689)","Lemaitre, V.","Mondal, K. (ORCID:0000000159671245)","Taliercio, A. (ORCID:0000000251196280)","Tran, T. T. (ORCID:000000033060350X)","Vischia, P. (ORCID:0000000270888557)","Wertz, S. (ORCID:0000000286453670)","Alves, G. A. (ORCID:0000000283691446)","Coelho, E. (ORCID:0000000161149907)","Hensel, C. (ORCID:0000000188747624)","Moraes, A. (ORCID:0000000251575686)","Rebello Teles, P. (ORCID:0000000190298506)","Aldá Júnior, W. L. (ORCID:0000000158559817)","Alves Gallo Pereira, M. (ORCID:0000000342967028)","Barroso Ferreira Filho, M. (ORCID:0000000339040571)","Brandao Malbouisson, H. (ORCID:000000021326318X)","Carvalho, W. (ORCID:0000000307386615)","Chinellato, J.","Da Costa, E. M. (ORCID:0000000250166434)","Da Silveira, G. G. (ORCID:0000000335147056)","De Jesus Damiao, D. (ORCID:0000000237691680)","Dos Santos Sousa, V. (ORCID:0000000246819340)","Fonseca De Souza, S. (ORCID:0000000178300837)","Martins, J. (ORCID:0000000221202782)","Mora Herrera, C. (ORCID:0000000339153170)","Mota Amarilo, K. (ORCID:0000000317073348)","Mundim, L. (ORCID:0000000199647805)","Nogima, H. (ORCID:0000000177051066)","Santoro, A. (ORCID:000000020568665X)","Silva Do Amaral, S. M. (ORCID:0000000202099687)","Sznajder, A. (ORCID:0000000169981108)","Thiel, M. (ORCID:0000000171397963)","Torres Da Silva De Araujo, F. (ORCID:0000000247853057)","Vilela Pereira, A. (ORCID:0000000331774626)","Bernardes, C. A. (ORCID:0000000157909563)","Calligaris, L. (ORCID:0000000299519448)","Fernandez Perez Tomei, T. R. (ORCID:0000000218095226)","Gregores, E. M. (ORCID:0000000302051672)","Mercadante, P. G. (ORCID:0000000183334302)","Novaes, S. F. (ORCID:0000000304718549)","Padula, Sandra S. (ORCID:0000000330710559)","Aleksandrov, A. (ORCID:0000000169342541)","Antchev, G. (ORCID:0000000332105037)","Hadjiiska, R. (ORCID:0000000318241737)","Iaydjiev, P. (ORCID:0000000163300607)","Misheva, M. (ORCID:0000000348545301)","Rodozov, M.","Shopova, M. (ORCID:0000000166642493)","Sultanov, G. (ORCID:0000000280303866)","Dimitrov, A. (ORCID:000000032899701X)","Ivanov, T. (ORCID:0000000304899191)","Litov, L. (ORCID:0000000285116883)","Pavlov, B. (ORCID:0000000336350646)","Petkov, P. (ORCID:0000000204209480)","Petrov, A. (ORCID:0009000388991514)","Shumka, E. (ORCID:0000000201042574)","Thakur, S. (ORCID:0000000216470360)","Cheng, T. (ORCID:0000000329549315)","Javaid, T. (ORCID:0009000727574054)","Mittal, M. (ORCID:0000000268338521)","Yuan, L. (ORCID:0000000267195397)","Ahmad, M. (ORCID:000000019933995X)","Bauer, G.","Hu, Z. (ORCID:0000000182094343)","Lezki, S. (ORCID:000000026909774X)","Yi, K. (ORCID:0000000224591824)","Chen, G. M. (ORCID:0000000226295420)","Chen, H. S. (ORCID:0000000186728227)","Chen, M. (ORCID:0000000304899669)","Iemmi, F. (ORCID:0000000159114051)","Jiang, C. H.","Kapoor, A. (ORCID:0000000218441504)","Liao, H. (ORCID:0000000201246999)","Liu, Z. -A. (ORCID:0000000228961386)","Milosevic, V. (ORCID:0000000211730696)","Monti, F. (ORCID:0000000158463655)","Sharma, R. (ORCID:0000000311811426)","Tao, J. (ORCID:0000000320063490)","Thomas-Wilsker, J. (ORCID:0000000312934153)","Wang, J. (ORCID:0000000231031083)","Zhang, H. (ORCID:0000000188435209)","Zhao, J. (ORCID:0000000183657726)","Agapitos, A. (ORCID:0000000289531232)","An, Y. (ORCID:0000000312991879)","Ban, Y. (ORCID:0000000219120374)","Levin, A. (ORCID:0000000195654186)","Li, C. (ORCID:0000000263398154)","Li, Q. (ORCID:0000000282900517)","Lyu, X.","Mao, Y.","Qian, S. J. (ORCID:000000020630481X)","Sun, X. (ORCID:0000000344094574)","Wang, D. (ORCID:0000000290131199)","Xiao, J. (ORCID:0000000278603958)","Yang, H.","Lu, M. (ORCID:0000000269993931)","You, Z. (ORCID:0000000183243291)","Lu, N. (ORCID:0000000226316770)","Gao, X. (ORCID:0000000172052318)","Leggat, D.","Okawa, H. (ORCID:0000000225486567)","Zhang, Y. (ORCID:0000000245542554)","Lin, Z. (ORCID:0000000318123474)","Lu, C. (ORCID:0000000274210313)","Xiao, M. (ORCID:0000000196289336)","Avila, C. (ORCID:0000000256102693)","Barbosa Trujillo, D. A.","Cabrera, A. (ORCID:0000000204866296)","Florez, C. (ORCID:0000000232220249)","Fraga, J. (ORCID:0000000251378543)","Mejia Guisao, J. (ORCID:000000021153816X)","Ramirez, F. (ORCID:0000000271780484)","Rodriguez, M. (ORCID:000000029480213X)","Ruiz Alvarez, J. D. (ORCID:0000000233060363)","Giljanovic, D. (ORCID:0009000567926881)","Godinovic, N. (ORCID:0000000246749450)","Lelas, D. (ORCID:0000000282695760)","Puljak, I. (ORCID:0000000173873812)","Antunovic, Z.","Kovac, M. (ORCID:0000000223914599)","Sculac, T. (ORCID:0000000295784105)","Brigljevic, V. (ORCID:0000000158470062)","Chitroda, B. K. (ORCID:0000000202208441)","Ferencek, D. (ORCID:0000000191161202)","Mishra, S. (ORCID:0000000235104833)","Roguljic, M. (ORCID:0000000153113007)","Starodumov, A. (ORCID:0000000195709255)","Susa, T. (ORCID:0000000174302552)","Attikis, A. (ORCID:0000000244433794)","Christoforou, K. (ORCID:0000000322051100)","Kolosova, M. (ORCID:0000000258382158)","Konstantinou, S. (ORCID:0000000304087636)","Mousa, J. (ORCID:0000000229782718)","Nicolaou, C.","Ptochos, F. (ORCID:0000000234323452)","Razis, P. A. (ORCID:0000000248550162)","Rykaczewski, H.","Saka, H. (ORCID:0000000176162573)","Stepennov, A. (ORCID:0000000177476582)","Finger, M. (ORCID:0000000278289970)","Finger, M. (ORCID:0000000331552484)","Kveton, A. (ORCID:0000000181971914)","Ayala, E. (ORCID:0000000203639198)","Carrera Jarrin, E. (ORCID:0000000208578507)","Elgammal, S.","Ellithi Kamel, A.","Abdullah Al-Mashad, M. (ORCID:0000000273223374)","Mahmoud, M. A. (ORCID:0000000186925458)","Bhowmik, S. (ORCID:000000031260973X)","Dewanjee, R. K. (ORCID:0000000166456244)","Ehataht, K. (ORCID:0000000223874777)","Kadastik, M.","Lange, T. (ORCID:0000000162427331)","Nandan, S. (ORCID:0000000293808919)","Nielsen, C. (ORCID:0000000235328132)","Pata, J. (ORCID:0000000251915759)","Raidal, M. (ORCID:0000000170409491)","Tani, L. (ORCID:0000000265527255)","Veelken, C. (ORCID:000000023364916X)","Eerola, P. (ORCID:0000000232440591)","Kirschenmann, H. (ORCID:0000000173692536)","Osterberg, K. (ORCID:0000000348070414)","Voutilainen, M. (ORCID:0000000252006477)","Bharthuar, S. (ORCID:0000000158719622)","Brücken, E. (ORCID:0000000160668756)","Garcia, F. (ORCID:0000000240237964)","Havukainen, J. (ORCID:0000000328986900)","Kim, M. S. (ORCID:0000000303928691)","Kinnunen, R.","Lampén, T. (ORCID:0000000283984249)","Lassila-Perini, K. (ORCID:0000000255021795)","Lehti, S. (ORCID:0000000313705598)","Lindén, T. (ORCID:0009000248478882)","Lotti, M.","Martikainen, L. (ORCID:0000000316093515)","Myllymäki, M. (ORCID:0000000305103810)","Ott, J. (ORCID:0000000193375722)","Rantanen, M. m. (ORCID:0000000267640016)","Siikonen, H. (ORCID:0000000320395874)","Tuominen, E. (ORCID:0000000270737767)","Tuominiemi, J. (ORCID:0000000303868633)","Luukka, P. (ORCID:0000000323404641)","Petrow, H. (ORCID:0000000211335485)","Tuuva, T.","Amendola, C. (ORCID:000000024359836X)","Besancon, M. (ORCID:0000000332783671)","Couderc, F. (ORCID:0000000320404099)","Dejardin, M. (ORCID:000900082784615X)","Denegri, D.","Faure, J. L.","Ferri, F. (ORCID:000000029860101X)","Ganjour, S. (ORCID:0000000330909744)","Gras, P. (ORCID:0000000239325967)","Hamel de Monchenault, G. (ORCID:0000000238723592)","Jarry, P. (ORCID:0000000213438189)","Lohezic, V. (ORCID:000900087976851X)","Malcles, J. (ORCID:0000000253885565)","Rander, J.","Rosowsky, A. (ORCID:0000000178036650)","Sahin, M. Ö. (ORCID:0000000164024050)","Savoy-Navarro, A. (ORCID:0000000294815168)","Simkina, P. (ORCID:000000029813372X)","Titov, M. (ORCID:0000000211196614)","Baldenegro Barrera, C. (ORCID:0000000260338885)","Beaudette, F. (ORCID:0000000211948556)","Buchot Perraguin, A. (ORCID:000000028597647X)","Busson, P. (ORCID:0000000160274511)","Cappati, A. (ORCID:0000000343860564)","Charlot, C. (ORCID:0000000240878155)","Damas, F. (ORCID:0000000167934359)","Davignon, O. (ORCID:000000018710992X)","Diab, B. (ORCID:0000000266691698)","Falmagne, G. (ORCID:0000000267623937)","Fontana Santos Alves, B. A. (ORCID:0000000197520624)","Ghosh, S. (ORCID:0009000656925688)","Granier de Cassagnac, R. (ORCID:0000000212757292)","Hakimi, A. (ORCID:0009000820938131)","Harikrishnan, B. (ORCID:0000000301744020)","Liu, G. (ORCID:0000000170020937)","Motta, J. (ORCID:000000030985913X)","Nguyen, M. (ORCID:0000000173057102)","Ochando, C. (ORCID:0000000238361173)","Portales, L. (ORCID:0000000298609185)","Salerno, R. (ORCID:0000000337352707)","Sarkar, U. (ORCID:0000000298924601)","Sauvan, J. B. (ORCID:0000000151873571)","Sirois, Y. (ORCID:0000000153814807)","Tarabini, A. (ORCID:0000000170985317)","Vernazza, E. (ORCID:0000000349572782)","Zabi, A. (ORCID:0000000272140673)","Zghiche, A. (ORCID:0000000211781450)","Agram, J. -L. (ORCID:0000000174760158)","Andrea, J. (ORCID:0000000282987560)","Apparu, D. (ORCID:0009000418370496)","Bloch, D. (ORCID:0000000245355273)","Bourgatte, G. (ORCID:0009000570448104)","Brom, J. -M. (ORCID:0000000302493622)","Chabert, E. C. (ORCID:0000000327977690)","Collard, C. (ORCID:0000000252308387)","Darej, D.","Goerlach, U. (ORCID:0000000189551666)","Grimault, C.","Le Bihan, A. -C. (ORCID:0000000285450187)","Van Hove, P. (ORCID:0000000224313381)","Beauceron, S. (ORCID:0000000280369267)","Blancon, B. (ORCID:0000000190221509)","Boudoul, G. (ORCID:0009000298978439)","Carle, A.","Chanon, N. (ORCID:0000000229395646)","Choi, J. (ORCID:0000000260240992)","Contardo, D. (ORCID:0000000167687466)","Depasse, P. (ORCID:0000000175562743)","Dozen, C. (ORCID:000000024301634X)","El Mamouni, H.","Fay, J. (ORCID:0000000157901780)","Gascon, S. (ORCID:0000000272041624)","Gouzevitch, M. (ORCID:000000025524880X)","Grenier, G. (ORCID:0000000219765877)","Ille, B. (ORCID:0000000286793878)","Laktineh, I. B.","Lethuillier, M. (ORCID:0000000161852045)","Mirabito, L.","Perries, S.","Torterotot, L. (ORCID:0000000253499242)","Vander Donckt, M. (ORCID:0000000292538611)","Verdier, P. (ORCID:0000000330902948)","Viret, S.","Lomidze, I. (ORCID:0009000239012765)","Toriashvili, T. (ORCID:0000000316556874)","Tsamalaidze, Z. (ORCID:0000000153773558)","Botta, V. (ORCID:0000000316619513)","Feld, L. (ORCID:0000000198138646)","Klein, K. (ORCID:0000000215467880)","Lipinski, M. (ORCID:0000000268390063)","Meuser, D. (ORCID:0000000227227526)","Pauls, A. (ORCID:0000000281175376)","Röwert, N. (ORCID:0000000247455470)","Teroerde, M. (ORCID:0000000258921377)","Diekmann, S. (ORCID:0009000488670881)","Dodonova, A. (ORCID:0000000251158487)","Eich, N. (ORCID:0000000194944317)","Eliseev, D. (ORCID:0000000158448156)","Erdmann, M. (ORCID:0000000216531303)","Fackeldey, P. (ORCID:0000000349327162)","Fasanella, D. (ORCID:0000000229262691)","Fischer, B. (ORCID:0000000239003482)","Hebbeker, T. (ORCID:000000029736266X)","Hoepfner, K. (ORCID:0000000220088148)","Ivone, F. (ORCID:0000000223885548)","Lee, M. y. (ORCID:0000000244301695)","Mastrolorenzo, L.","Merschmeyer, M. (ORCID:0000000320817141)","Meyer, A. (ORCID:0000000195986623)","Mondal, S. (ORCID:0000000301537590)","Mukherjee, S. (ORCID:0000000163419982)","Noll, D. (ORCID:0000000201762360)","Novak, A. (ORCID:0000000203895896)","Nowotny, F.","Pozdnyakov, A. (ORCID:0000000334789081)","Rath, Y.","Redjeb, W. (ORCID:0000000197948292)","Reithler, H. (ORCID:000000034409702X)","Schmidt, A. (ORCID:0000000327118984)","Schuler, S. C.","Sharma, A. (ORCID:0000000252951460)","Stein, A. (ORCID:000000030713811X)","Vigilante, L.","Wiedenbeck, S. (ORCID:0000000246929304)","Zaleski, S.","Dziwok, C. (ORCID:0000000198060244)","Flügge, G. (ORCID:0000000336819272)","Haj Ahmad, W. (ORCID:0000000314910446)","Hlushchenko, O.","Kress, T. (ORCID:0000000227028201)","Nowack, A. (ORCID:0000000235225926)","Pooth, O. (ORCID:0000000164456160)","Stahl, A. (ORCID:0000000283697506)","Ziemons, T. (ORCID:0000000316972130)","Zotz, A. (ORCID:0000000213201712)","Aarup Petersen, H. (ORCID:0009000564827466)","Aldaya Martin, M. (ORCID:0000000315330945)","Asmuss, P.","Baxter, S. (ORCID:0009000841916716)","Bayatmakou, M. (ORCID:0009000299050667)","Behnke, O. (ORCID:0000000242380991)","Bermúdez Martínez, A. (ORCID:0000000188224727)","Bhattacharya, S. (ORCID:0000000231970048)","Bin Anuar, A. A. (ORCID:0000000229889830)","Blekman, F. (ORCID:0000000273667098)","Borras, K. (ORCID:000000031111249X)","Brunner, D. (ORCID:0000000195180435)","Campbell, A. (ORCID:0000000344395748)","Cardini, A. (ORCID:0000000318030999)","Cheng, C.","Colombina, F. (ORCID:000900087130100X)","Consuegra Rodríguez, S. (ORCID:0000000213831837)","Correia Silva, G. (ORCID:0000000162323591)","De Silva, M. (ORCID:0000000258046226)","Didukh, L. (ORCID:0000000349005227)","Eckerlin, G.","Eckstein, D. (ORCID:0000000273666562)","Estevez Banos, L. I. (ORCID:0000000161953102)","Filatov, O. (ORCID:0000000198506170)","Gallo, E. (ORCID:0000000172005175)","Geiser, A. (ORCID:000000030355102X)","Giraldi, A. (ORCID:0000000344232631)","Greau, G.","Grohsjean, A. (ORCID:0000000307488494)","Guglielmi, V. (ORCID:0000000332407393)","Guthoff, M. (ORCID:000000023974589X)","Jafari, A. (ORCID:0000000173271870)","Jomhari, N. Z. (ORCID:0000000191277408)","Kaech, B. (ORCID:0000000211942306)","Kasemann, M. (ORCID:0000000204292448)","Kaveh, H. (ORCID:0000000232735859)","Kleinwort, C. (ORCID:0000000290179504)","Kogler, R. (ORCID:0000000253364399)","Komm, M. (ORCID:0000000276694294)","Krücker, D. (ORCID:0000000316108844)","Lange, W.","Leyva Pernia, D. (ORCID:0009000987553698)","Lipka, K. (ORCID:0000000284273748)","Lohmann, W. (ORCID:0000000287050857)","Mankel, R. (ORCID:0000000323751563)","Melzer-Pellmann, I. -A. (ORCID:000000017707919X)","Mendizabal Morentin, M. (ORCID:0000000265065177)","Metwally, J.","Meyer, A. B. (ORCID:0000000185322356)","Milella, G. (ORCID:000000022047951X)","Mormile, M. (ORCID:0000000304567250)","Mussgiller, A. (ORCID:0000000283318166)","Nürnberg, A. (ORCID:0000000278763134)","Otarid, Y.","Pérez Adán, D. (ORCID:0000000334160726)","Raspereza, A. (ORCID:000000032167498X)","Ribeiro Lopes, B. (ORCID:000000030823447X)","Rübenach, J.","Saggio, A. (ORCID:0000000273853317)","Saibel, A. (ORCID:0000000299327622)","Savitskyi, M. (ORCID:0000000299529267)","Scham, M. (ORCID:0000000194942151)","Scheurer, V.","Schnake, S. (ORCID:0000000334096584)","Schütze, P. (ORCID:0000000348026990)","Schwanenberger, C. (ORCID:0000000166996662)","Shchedrolosiev, M. (ORCID:0000000335102093)","Sosa Ricardo, R. E. (ORCID:0000000222406699)","Stafford, D.","Tonon, N. (ORCID:0000000343012688)","Van De Klundert, M. (ORCID:0000000185962812)","Vazzoler, F. (ORCID:0000000181119318)","Ventura Barroso, A. (ORCID:0000000332336636)","Walsh, R. (ORCID:0000000238724114)","Walter, D. (ORCID:0000000185849705)","Wang, Q. (ORCID:0000000310148677)","Wen, Y. (ORCID:0000000287249604)","Wichmann, K.","Wiens, L. (ORCID:0000000244234461)","Wissing, C. (ORCID:0000000250908004)","Wuchterl, S. (ORCID:0000000199559258)","Yang, Y. (ORCID:0009000934300558)","Zimermmane Castro Santos, A. (ORCID:0000000193023102)","Albrecht, A. (ORCID:0000000160046180)","Albrecht, S. (ORCID:0000000259606803)","Antonello, M. (ORCID:000000019094482X)","Bein, S. (ORCID:0000000193877407)","Benato, L. (ORCID:0000000151357489)","Bonanomi, M. (ORCID:0000000336296264)","Connor, P. (ORCID:0000000325001061)","De Leo, K. (ORCID:000000028908409X)","Eich, M.","El Morabit, K. (ORCID:000000015886220X)","Feindt, F.","Fröhlich, A.","Garbers, C. (ORCID:0000000150942256)","Garutti, E. (ORCID:0000000306345539)","Hajheidari, M.","Haller, J. (ORCID:0000000193477657)","Hinzmann, A. (ORCID:0000000226334696)","Jabusch, H. R. (ORCID:0000000324441014)","Kasieczka, G. (ORCID:0000000334572755)","Keicher, P.","Klanner, R. (ORCID:0000000270049227)","Korcari, W. (ORCID:0000000180175502)","Kramer, T. (ORCID:0000000270040214)","Kutzner, V. (ORCID:0000000319853807)","Labe, F. (ORCID:0000000218709443)","Lange, J. (ORCID:0000000175136330)","Lobanov, A. (ORCID:0000000253760877)","Matthies, C. (ORCID:0000000173794540)","Mehta, A. (ORCID:0000000204334484)","Moureaux, L. (ORCID:0000000223109266)","Mrowietz, M.","Nigamova, A. (ORCID:0000000285228500)","Nissan, Y.","Paasch, A. (ORCID:0000000222085178)","Pena Rodriguez, K. J. (ORCID:0000000228779744)","Quadfasel, T. (ORCID:000000032360351X)","Rieger, M. (ORCID:0000000307972606)","Rieger, O.","Savoiu, D. (ORCID:0000000167947475)","Schindler, J. (ORCID:0009000665510660)","Schleper, P. (ORCID:0000000156286827)","Schröder, M. (ORCID:0000000180589828)","Schwandt, J. (ORCID:000000020052597X)","Sommerhalder, M. (ORCID:0000000157467371)","Stadie, H. (ORCID:0000000205138119)","Steinbrück, G. (ORCID:0000000283552761)","Tews, A.","Wolf, M. (ORCID:0000000330022430)","Brommer, S. (ORCID:0000000189882035)","Burkart, M.","Butz, E. (ORCID:0000000224035801)","Caspart, R. (ORCID:0000000255029412)","Chwalek, T. (ORCID:0000000280093723)","Dierlamm, A. (ORCID:0000000178049902)","Droll, A.","Faltermann, N. (ORCID:0000000165063107)","Giffels, M. (ORCID:0000000301933032)","Gosewisch, J. O.","Gottmann, A. (ORCID:000000016696349X)","Hartmann, F. (ORCID:0000000189898387)","Horzela, M. (ORCID:0000000231907962)","Husemann, U. (ORCID:0000000261988388)","Klute, M. (ORCID:0000000208695631)","Koppenhöfer, R. (ORCID:0000000262565715)","Lintuluoto, A. (ORCID:0000000207261452)","Maier, S. (ORCID:0000000198289778)","Mitra, S. (ORCID:0000000230602278)","Müller, Th (ORCID:0000000343370098)","Neukum, M.","Oh, M. (ORCID:0000000326189203)","Quast, G. (ORCID:0000000240214260)","Rabbertz, K. (ORCID:0000000170409846)","Rauser, J.","Schnepf, M.","Seith, D.","Shvetsov, I. (ORCID:0000000270699019)","Simonis, H. J. (ORCID:0000000274672980)","Trevisani, N. (ORCID:0000000252239342)","Ulrich, R. (ORCID:000000022535402X)","van der Linden, J. (ORCID:000000027174781X)","Von Cube, R. F. (ORCID:0000000262375209)","Wassmer, M. (ORCID:0000000204082811)","Wieland, S. (ORCID:0000000338875358)","Wolf, R. (ORCID:000000019456383X)","Wozniewski, S. (ORCID:0000000185630412)","Wunsch, S.","Zuo, X. (ORCID:000000020029493X)","Anagnostou, G.","Assiouras, P. (ORCID:0000000251529006)","Daskalakis, G. (ORCID:0000000160707698)","Kyriakis, A.","Stakia, A. (ORCID:0000000162777171)","Diamantopoulou, M.","Karasavvas, D.","Kontaxakis, P. (ORCID:0000000248605979)","Manousakis-Katsikakis, A. (ORCID:0000000205301182)","Panagiotou, A.","Papavergou, I. (ORCID:0000000279922686)","Saoulidou, N. (ORCID:0000000169584196)","Theofilatos, K. (ORCID:000000018448883X)","Tziaferi, E. (ORCID:0000000349580408)","Vellidis, K. (ORCID:0000000156808357)","Zisopoulos, I. (ORCID:0000000152124353)","Bakas, G. (ORCID:0000000302871937)","Chatzistavrou, T.","Kousouris, K. (ORCID:0000000263600869)","Papakrivopoulos, I. (ORCID:0000000284400487)","Tsipolitis, G.","Zacharopoulou, A.","Adamidis, K.","Bestintzanos, I.","Evangelou, I. (ORCID:0000000259035481)","Foudas, C.","Gianneios, P. (ORCID:0009000372330738)","Kamtsikis, C.","Katsoulis, P.","Kokkas, P. (ORCID:0009000937526253)","Kosmoglou Kioseoglou, P. G. (ORCID:0000000274404396)","Manthos, N. (ORCID:0000000332478909)","Papadopoulos, I. (ORCID:0000000299373063)","Strologas, J. (ORCID:0000000222257160)","Csanád, M. (ORCID:0000000231546925)","Farkas, K. (ORCID:0000000317406974)","Gadallah, M. M.A. (ORCID:0000000283056661)","Lökös, S. (ORCID:0000000244474836)","Major, P. (ORCID:0000000254760414)","Mandal, K. (ORCID:0000000239667182)","Pásztor, G. (ORCID:0000000307079762)","Rádl, A. J. (ORCID:0000000188100388)","Surányi, O. (ORCID:000000024684495X)","Veres, G. I. (ORCID:0000000254404356)","Bartók, M. (ORCID:0000000244402701)","Bencze, G.","Hajdu, C. (ORCID:000000027193800X)","Horvath, D. (ORCID:000000030091477X)","Sikler, F. (ORCID:0000000196083901)","Veszpremi, V. (ORCID:0000000197830315)","Beni, N. (ORCID:0000000231857889)","Czellar, S.","Karancsi, J. (ORCID:0000000308027665)","Molnar, J.","Szillasi, Z.","Teyssier, D. (ORCID:0000000252597983)","Raics, P.","Ujvari, B. (ORCID:0000000304984265)","Csorgo, T. (ORCID:0000000291109663)","Nemes, F. (ORCID:0000000214516484)","Novak, T. (ORCID:0000000162534356)","Babbar, J. (ORCID:0000000240804156)","Bansal, S. (ORCID:0000000319920336)","Beri, S. B.","Bhatnagar, V. (ORCID:0000000283929610)","Chaudhary, G. (ORCID:0000000301683336)","Chauhan, S. (ORCID:0000000169744129)","Dhingra, N. (ORCID:0000000272006204)","Gupta, R.","Kaur, A. (ORCID:0000000216409180)","Kaur, A. (ORCID:0000000336094777)","Kaur, H. (ORCID:0000000286597092)","Kaur, M. (ORCID:0000000234402767)","Kumar, S. (ORCID:0000000192129108)","Kumari, P. (ORCID:0000000266238586)","Meena, M. (ORCID:0000000345363967)","Sandeep, K. (ORCID:0000000232203668)","Sheokand, T.","Singh, J. B. (ORCID:0000000190292462)","Singla, A. (ORCID:000000032550139X)","Virdi, A. K. (ORCID:0000000208668932)","Ahmed, A. (ORCID:0000000245008853)","Bhardwaj, A. (ORCID:0000000275443258)","Choudhary, B. C. (ORCID:0000000150291887)","Kumar, A. (ORCID:0000000334074094)","Naimuddin, M. (ORCID:000000034542386X)","Ranjan, K. (ORCID:0000000255403750)","Saumya, S. (ORCID:0000000178429518)","Baradia, S. (ORCID:0000000198607262)","Barman, S. (ORCID:0000000188911674)","Bhattacharya, S. (ORCID:0000000281104957)","Bhowmik, D.","Dutta, S. (ORCID:0000000196508121)","Dutta, S.","Gomber, B. (ORCID:0000000244460258)","Maity, M.","Palit, P. (ORCID:000000021948029X)","Saha, G. (ORCID:0000000261251941)","Sahu, B. (ORCID:0000000280735140)","Sarkar, S.","Behera, P. K. (ORCID:0000000215272266)","Behera, S. C. (ORCID:0000000207982727)","Kalbhor, P. (ORCID:0000000258923743)","Komaragiri, J. R. (ORCID:0000000293446655)","Kumar, D. (ORCID:0000000266365331)","Muhammad, A. (ORCID:0000000275357149)","Panwar, L. (ORCID:0000000324614907)","Pradhan, R. (ORCID:0000000170006510)","Pujahari, P. R. (ORCID:0000000209947212)","Sharma, A. (ORCID:000000020688923X)","Sikdar, A. K. (ORCID:0000000254375217)","Tiwari, P. C. (ORCID:0000000236673843)","Verma, S. (ORCID:0000000311636955)","Naskar, K. (ORCID:0000000306384378)","Aziz, T.","Das, I. (ORCID:0000000254372067)","Dugad, S.","Kumar, M. (ORCID:000000030312057X)","Mohanty, G. B. (ORCID:0000000168507666)","Suryadevara, P.","Banerjee, S. (ORCID:0000000279534683)","Chudasama, R. (ORCID:0009000788486146)","Guchait, M. (ORCID:0009000409287922)","Karmakar, S. (ORCID:0000000197155663)","Kumar, S. (ORCID:000000022405915X)","Majumder, G. (ORCID:0000000238155222)","Mazumdar, K. (ORCID:0000000331361653)","Mukherjee, S. (ORCID:0000000331220594)","Thachayath, A. (ORCID:0000000165450350)","Bahinipati, S. (ORCID:0000000237445332)","Das, A. K.","Kar, C. (ORCID:0000000264076974)","Mal, P. (ORCID:0000000208708420)","Mishra, T. (ORCID:0000000221213932)","Muraleedharan Nair Bindhu, V. K. (ORCID:000000034671815X)","Nayak, A. (ORCID:0000000277164981)","Saha, P. (ORCID:0000000270138094)","Swain, S. K. (ORCID:0000000168713937)","Vats, D. (ORCID:0009000782244664)","Alpana, A. (ORCID:0000000332942345)","Dube, S. (ORCID:0000000251453777)","Kansal, B. (ORCID:0000000266041011)","Laha, A. (ORCID:0000000194407028)","Pandey, S. (ORCID:0000000304406019)","Rastogi, A. (ORCID:0000000312456710)","Sharma, S. (ORCID:0000000168860726)","Bakhshiansohi, H. (ORCID:0000000157413357)","Khazaie, E. (ORCID:0000000198107743)","Zeinali, M. (ORCID:0000000183676257)","Chenarani, S. (ORCID:000000021425076X)","Etesami, S. M. (ORCID:0000000165014137)","Khakzad, M. (ORCID:0000000222125715)","Mohammadi Najafabadi, M. (ORCID:0000000161315987)","Grunewald, M. (ORCID:0000000257540388)","Abbrescia, M. (ORCID:0000000187277544)","Aly, R. (ORCID:0000000168081335)","Aruta, C. (ORCID:0000000195243264)","Colaleo, A. (ORCID:0000000207116319)","Creanza, D. (ORCID:0000000161533044)","De Filippis, N. (ORCID:0000000206256811)","De Palma, M. (ORCID:0000000182401913)","Di Florio, A. (ORCID:0000000337198041)","Elmetenawee, W. (ORCID:0000000170690252)","Errico, F. (ORCID:000000018199370X)","Fiore, L. (ORCID:0000000294701320)","Iaselli, G. (ORCID:0000000325465341)","Ince, M. (ORCID:0000000169070195)","Maggi, G. (ORCID:0000000153917689)","Maggi, M. (ORCID:0000000284313922)","Margjeka, I. (ORCID:0000000231983025)","Mastrapasqua, V. (ORCID:0000000290825924)","My, S. (ORCID:0000000299382680)","Nuzzo, S. (ORCID:0000000310896317)","Pellecchia, A. (ORCID:0000000332796114)","Pompili, A. (ORCID:0000000312914005)","Pugliese, G. (ORCID:0000000154602638)","Radogna, R. (ORCID:0000000210945038)","Ramos, D. (ORCID:0000000271651017)","Ranieri, A. (ORCID:0000000179124062)","Selvaggi, G. (ORCID:0000000300936741)","Silvestris, L. (ORCID:0000000289854891)","Simone, F. M. (ORCID:000000021924983X)","Sözbilir, Ü. (ORCID:0000000168333758)","Stamerra, A. (ORCID:0000000314341968)","Venditti, R. (ORCID:0000000169258649)","Verwilligen, P. (ORCID:0000000292858631)","Abbiendi, G. (ORCID:0000000344997562)","Battilana, C. (ORCID:0000000237533068)","Bonacorsi, D. (ORCID:0000000208359574)","Borgonovi, L. (ORCID:0000000186794443)","Brigliadori, L.","Campanini, R. (ORCID:0000000227440597)","Capiluppi, P. (ORCID:0000000344851897)","Castro, A. (ORCID:0000000325270456)","Cavallo, F. R. (ORCID:0000000203267515)","Cuffiani, M. (ORCID:0000000325105039)","Dallavalle, G. M. (ORCID:0000000286140420)","Diotalevi, T. (ORCID:0000000307808785)","Fabbri, F. (ORCID:0000000284469660)","Fanfani, A. (ORCID:0000000322564117)","Giacomelli, P. (ORCID:0000000263687220)","Giommi, L. (ORCID:0000000335394313)","Grandi, C. (ORCID:0000000159983070)","Guiducci, L. (ORCID:0000000260138293)","Lo Meo, S. (ORCID:0000000332499208)","Lunerti, L. (ORCID:0000000289320283)","Marcellini, S. (ORCID:0000000212338100)","Masetti, G. (ORCID:000000026377800X)","Navarria, F. L. (ORCID:0000000179614889)","Perrotta, A. (ORCID:0000000279967139)","Primavera, F. (ORCID:0000000162538656)","Rossi, A. M. (ORCID:0000000259731305)","Rovelli, T. (ORCID:0000000297464842)","Siroli, G. P. (ORCID:0000000235284125)","Costa, S. (ORCID:0000000199190569)","Di Mattia, A. (ORCID:000000029964015X)","Potenza, R.","Tricomi, A. (ORCID:0000000250715501)","Tuve, C. (ORCID:0000000307393153)","Barbagli, G. (ORCID:0000000217388676)","Bardelli, G. (ORCID:0000000246623305)","Camaiani, B. (ORCID:000000026396622X)","Cassese, A. (ORCID:0000000330104516)","Ceccarelli, R. (ORCID:0000000332329380)","Ciulli, V. (ORCID:0000000319473396)","Civinini, C. (ORCID:0000000249523799)","D\'Alessandro, R. (ORCID:0000000179970306)","Focardi, E. (ORCID:0000000237635267)","Latino, G. (ORCID:0000000240983502)","Lenzi, P. (ORCID:0000000269278807)","Lizzo, M. (ORCID:0000000172972624)","Meschini, M. (ORCID:0000000291613990)","Paoletti, S. (ORCID:0000000335929509)","Seidita, R. (ORCID:0000000235336191)","Sguazzoni, G. (ORCID:0000000207913350)","Viliani, L. (ORCID:0000000219096343)","Benussi, L. (ORCID:0000000223638889)","Bianco, S. (ORCID:0000000283004124)","Meola, S. (ORCID:0000000282337277)","Piccolo, D. (ORCID:000000015404543X)","Bozzo, M. (ORCID:0000000217150457)","Chatagnon, P. (ORCID:0000000247059582)","Ferro, F. (ORCID:0000000276630805)","Robutti, E. (ORCID:0000000190384500)","Tosi, S. (ORCID:0000000272759193)","Benaglia, A. (ORCID:0000000311248450)","Boldrini, G. (ORCID:000000015490605X)","Brivio, F. (ORCID:0000000195236451)","Cetorelli, F. (ORCID:0000000230611553)","De Guio, F. (ORCID:0000000159278865)","Dinardo, M. E. (ORCID:0000000285757250)","Dini, P. (ORCID:0000000173754899)","Gennai, S. (ORCID:0000000152698517)","Ghezzi, A. (ORCID:0000000281847953)","Govoni, P. (ORCID:0000000202271301)","Guzzi, L. (ORCID:0000000230868260)","Lucchini, M. T. (ORCID:0000000274977450)","Malberti, M. (ORCID:0000000167948419)","Malvezzi, S. (ORCID:0000000202184910)","Massironi, A. (ORCID:0000000207820883)","Menasce, D. (ORCID:0000000299181686)","Moroni, L. (ORCID:000000028387762X)","Paganoni, M. (ORCID:000000032461275X)","Pedrini, D. (ORCID:0000000324144175)","Pinolini, B. S.","Ragazzi, S. (ORCID:0000000182192074)","Redaelli, N. (ORCID:0000000200982716)","Tabarelli de Fatis, T. (ORCID:0000000162624685)","Zuolo, D. (ORCID:0000000330721020)","Buontempo, S. (ORCID:000000019526556X)","Carnevali, F.","Cavallo, N. (ORCID:0000000313279058)","De Iorio, A. (ORCID:0000000292581345)","Fabozzi, F. (ORCID:0000000198214151)","Iorio, A. O.M. (ORCID:0000000237981135)","Lista, L. (ORCID:0000000164715492)","Paolucci, P. (ORCID:0000000287734781)","Rossi, B. (ORCID:0000000208078772)","Sciacca, C. (ORCID:0000000284124072)","Azzi, P. (ORCID:000000023129828X)","Bacchetta, N. (ORCID:0000000222055737)","Bellato, M. (ORCID:0000000238938884)","Bisello, D. (ORCID:0000000223598477)","Bortignon, P. (ORCID:0000000253601454)","Bragagnolo, A. (ORCID:0000000334742099)","Dorigo, T. (ORCID:0000000216598727)","Gasparini, F. (ORCID:000000021315563X)","Gasparini, U. (ORCID:0000000272532669)","Grosso, G.","Layer, L.","Lusiani, E. (ORCID:0000000187917978)","Margoni, M. (ORCID:0000000317974330)","Meneguzzo, A. T. (ORCID:0000000258618140)","Pazzini, J. (ORCID:0000000211186205)","Ronchese, P. (ORCID:0000000170022051)","Rossin, R. (ORCID:0000000334667500)","Simonetto, F. (ORCID:0000000282792464)","Strong, G. (ORCID:0000000246406108)","Tosi, M. (ORCID:0000000340501769)","Ventura, S. (ORCID:0000000289382193)","Yarar, H.","Zanetti, M. (ORCID:0000000342814582)","Zotto, P. (ORCID:0000000339535996)","Zucchetta, A. (ORCID:0000000303801172)","Zumerle, G. (ORCID:0000000330752679)","Abu Zeid, S. (ORCID:0000000208200483)","Aimè, C. (ORCID:0000000304494717)","Braghieri, A. (ORCID:0000000296065604)","Calzaferri, S. (ORCID:0000000211622505)","Fiorina, D. (ORCID:000000027104257X)","Montagna, P. (ORCID:0000000196479420)","Re, V. (ORCID:0000000306973420)","Riccardi, C. (ORCID:0000000301653962)","Salvini, P. (ORCID:0000000192077256)","Vai, I. (ORCID:0000000300375032)","Vitulo, P. (ORCID:0000000192477778)","Asenov, P. (ORCID:0000000323799903)","Bilei, G. M. (ORCID:0000000241599123)","Ciangottini, D. (ORCID:0000000208434108)","Fanò, L. (ORCID:000000029007629X)","Magherini, M. (ORCID:0000000341083925)","Mantovani, G.","Mariani, V. (ORCID:0000000171088116)","Menichelli, M. (ORCID:000000029004735X)","Moscatelli, F. (ORCID:0000000276763106)","Piccinelli, A. (ORCID:0000000303860527)","Presilla, M. (ORCID:0000000328087315)","Rossi, A. (ORCID:0000000220312955)","Santocchia, A. (ORCID:0000000297702249)","Spiga, D. (ORCID:0000000229916384)","Tedeschi, T. (ORCID:0000000271252905)","Azzurri, P. (ORCID:0000000217175654)","Bagliesi, G. (ORCID:0000000342981620)","Bertacchi, V. (ORCID:0000000199711176)","Bhattacharya, R. (ORCID:0000000275758639)","Bianchini, L. (ORCID:0000000265986865)","Boccali, T. (ORCID:0000000299309299)","Bossini, E. (ORCID:0000000223032588)","Bruschini, D. (ORCID:0000000172482967)","Castaldi, R. (ORCID:000000030146845X)","Ciocci, M. A. (ORCID:0000000300025462)","D\'Amante, V. (ORCID:0000000273422592)","Dell\'Orso, R. (ORCID:0000000314149343)","Di Domenico, M. R. (ORCID:0000000271387017)","Donato, S. (ORCID:0000000176464977)","Giassi, A. (ORCID:0000000194282296)","Ligabue, F. (ORCID:0000000215497107)","Mandorli, G. (ORCID:0000000251839020)","Matos Figueiredo, D. (ORCID:0000000325146930)","Messineo, A. (ORCID:0000000175515613)","Musich, M. (ORCID:0000000179385684)","Palla, F. (ORCID:000000026361438X)","Parolia, S. (ORCID:0000000295662490)","Ramirez-Sanchez, G. (ORCID:0000000178045514)","Rizzi, A. (ORCID:0000000245432718)","Rolandi, G. (ORCID:000000020635274X)","Roy Chowdhury, S. (ORCID:0000000157425593)","Sarkar, T. (ORCID:0000000305824167)","Scribano, A. (ORCID:0000000243386332)","Shafiei, N. (ORCID:000000028243371X)","Spagnolo, P. (ORCID:0000000179625203)","Tenchini, R. (ORCID:0000000325744383)","Tonelli, G. (ORCID:0000000326069156)","Turini, N. (ORCID:0000000293955230)","Venturi, A. (ORCID:0000000202494142)","Verdini, P. G. (ORCID:0000000200429507)","Barria, P. (ORCID:0000000239247380)","Campana, M. (ORCID:000000015425723X)","Cavallari, F. (ORCID:0000000210613877)","Del Re, D. (ORCID:0000000308705796)","Di Marco, E. (ORCID:0000000259202438)","Diemoz, M. (ORCID:0000000238108530)","Longo, E. (ORCID:0000000162386787)","Meridiani, P. (ORCID:0000000284802259)","Organtini, G. (ORCID:0000000232290781)","Pandolfi, F. (ORCID:0000000187133874)","Paramatti, R. (ORCID:0000000200809550)","Quaranta, C. (ORCID:0000000200426891)","Rahatlou, S. (ORCID:0000000197943360)","Rovelli, C. (ORCID:0000000321737530)","Santanastasio, F. (ORCID:0000000325058359)","Soffi, L. (ORCID:0000000325329876)","Tramontano, R. (ORCID:0000000159795299)","Amapane, N. (ORCID:0000000194492509)","Arcidiacono, R. (ORCID:000000015904142X)","Argiro, S. (ORCID:0000000321503750)","Arneodo, M. (ORCID:0000000277907132)","Bartosik, N. (ORCID:0000000271962237)","Bellan, R. (ORCID:0000000225392376)","Bellora, A. (ORCID:0000000227535473)","Biino, C. (ORCID:0000000213977246)","Cartiglia, N. (ORCID:0000000205489189)","Costa, M. (ORCID:0000000301560790)","Covarelli, R. (ORCID:0000000312165235)","Demaria, N. (ORCID:0000000307439465)","Grippo, M. (ORCID:000000030770269X)","Kiani, B. (ORCID:0000000212027652)","Legger, F. (ORCID:0000000314000709)","Mariotti, C. (ORCID:0000000268643294)","Maselli, S. (ORCID:0000000198717859)","Mecca, A. (ORCID:0000000322092527)","Migliore, E. (ORCID:0000000222715192)","Monteil, E. (ORCID:000000022350213X)","Monteno, M. (ORCID:0000000235216333)","Mulargia, R. (ORCID:000000032437013X)","Obertino, M. M. (ORCID:0000000287818192)","Ortona, G. (ORCID:0000000184112971)","Pacher, L. (ORCID:0000000312884838)","Pastrone, N. (ORCID:0000000172911979)","Pelliccioni, M. (ORCID:0000000347286678)","Ruspa, M. (ORCID:0000000276553475)","Shchelina, K. (ORCID:0000000337420693)","Siviero, F. (ORCID:0000000244274076)","Sola, V. (ORCID:000000016288951X)","Solano, A. (ORCID:0000000229718214)","Soldi, D. (ORCID:0000000190594831)","Staiano, A. (ORCID:000000031803624X)","Tornago, M. (ORCID:0000000167681056)","Trocino, D. (ORCID:0000000228305872)","Umoret, G. (ORCID:0000000266747874)","Vagnerini, A. (ORCID:0000000187305031)","Belforte, S. (ORCID:0000000184434460)","Candelise, V. (ORCID:0000000236415983)","Casarsa, M. (ORCID:0000000213538964)","Cossutti, F. (ORCID:000000015672214X)","Da Rold, A. (ORCID:0000000303427977)","Della Ricca, G. (ORCID:0000000328316982)","Sorrentino, G. (ORCID:000000022253819X)","Dogra, S. (ORCID:0000000208120758)","Huh, C. (ORCID:0000000285132824)","Kim, B. (ORCID:0000000295396815)","Kim, D. H. (ORCID:0000000290236847)","Kim, G. N. (ORCID:0000000234829082)","Kim, J.","Lee, J. (ORCID:0000000253517201)","Lee, S. W. (ORCID:0000000210283468)","Moon, C. S. (ORCID:0000000182297829)","Oh, Y. D. (ORCID:0000000272199931)","Pak, S. I. (ORCID:0000000214473533)","Ryu, M. S. (ORCID:000000021855180X)","Sekmen, S. (ORCID:0000000317265681)","Yang, Y. C. (ORCID:0000000310094621)","Kim, H. (ORCID:0000000180199387)","Moon, D. H. (ORCID:0000000256289187)","Asilar, E. (ORCID:000000015680599X)","Kim, T. J. (ORCID:0000000183362434)","Park, J. (ORCID:0000000246836669)","Choi, S. (ORCID:0000000162259876)","Han, S.","Hong, B. (ORCID:0000000222599929)","Lee, K.","Lee, K. S. (ORCID:0000000236807039)","Lim, J.","Park, J.","Park, S. K.","Yoo, J. (ORCID:0000000304633043)","Goh, J. (ORCID:0000000211292083)","Kim, H. S. (ORCID:0000000265439191)","Kim, Y.","Lee, S.","Almond, J.","Bhyun, J. H.","Choi, J. (ORCID:0000000224835104)","Jeon, S. (ORCID:0000000312086940)","Kim, J. (ORCID:0000000198766642)","Kim, J. S.","Ko, S. (ORCID:0000000343779969)","Kwon, H. (ORCID:0009000251655018)","Lee, H. (ORCID:0000000211383700)","Lee, S.","Oh, B. H. (ORCID:0000000295397789)","Oh, S. B. (ORCID:0000000307104956)","Seo, H. (ORCID:0000000239320605)","Yang, U. K.","Yoon, I. (ORCID:0000000234918026)","Jang, W. (ORCID:0000000215719072)","Kang, D. Y.","Kang, Y. (ORCID:0000000160793434)","Kim, D. (ORCID:0000000283369182)","Kim, S. (ORCID:0000000280157379)","Ko, B.","Lee, J. S.H. (ORCID:0000000221531519)","Lee, Y. (ORCID:0000000155725947)","Merlin, J. A.","Park, I. C. (ORCID:0000000345106776)","Roh, Y.","Song, D.","Watson, I. J. (ORCID:0000000321413413)","Yang, S. (ORCID:0000000169056553)","Ha, S. (ORCID:0000000325381551)","Yoo, H. D. (ORCID:0000000238923500)","Choi, M. (ORCID:000000024811626X)","Kim, M. R. (ORCID:0000000222892527)","Lee, H.","Lee, Y. (ORCID:0000000240005901)","Lee, Y. (ORCID:0000000169549964)","Yu, I. (ORCID:0000000315675548)","Beyrouthy, T.","Maghrbi, Y. (ORCID:0000000249607458)","Dreimanis, K. (ORCID:0000000309725641)","Pikurs, G.","Potrebko, A. (ORCID:0000000237768270)","Seidel, M. (ORCID:0000000335506151)","Veckalns, V. (ORCID:0000000336769711)","Ambrozas, M. (ORCID:0000000324490158)","Carvalho Antunes De Oliveira, A. (ORCID:000000032340836X)","Juodagalvis, A. (ORCID:0000000215013328)","Rinkevicius, A. (ORCID:000000027510255X)","Tamulaitis, G. (ORCID:0000000229139634)","Bin Norjoharuddeen, N. (ORCID:0000000288187476)","Hoh, S. Y. (ORCID:0000000332335123)","Yusuff, I. (ORCID:0000000327860732)","Zolkapli, Z.","Benitez, J. F. (ORCID:0000000226336712)","Castaneda Hernandez, A. (ORCID:0000000347661546)","Encinas Acosta, H. A.","Gallegos Maríñez, L. G.","León Coello, M. (ORCID:000000023761911X)","Murillo Quijada, J. A. (ORCID:0000000349332092)","Sehrawat, A. (ORCID:0000000268167814)","Valencia Palomo, L. (ORCID:000000028736440X)","Ayala, G. (ORCID:0000000282948692)","Castilla-Valdez, H. (ORCID:0009000595909958)","Heredia-De La Cruz, I. (ORCID:0000000281336467)","Lopez-Fernandez, R. (ORCID:0000000223894831)","Mondragon Herrera, C. A.","Perez Navarro, D. A. (ORCID:0000000192804150)","Sánchez Hernández, A. (ORCID:0000000195480358)","Oropeza Barrera, C. (ORCID:0000000197240016)","Vazquez Valencia, F. (ORCID:0000000163793982)","Pedraza, I. (ORCID:0000000226694659)","Salazar Ibarguen, H. A. (ORCID:0000000345567302)","Uribe Estrada, C. (ORCID:0000000224257340)","Bubanja, I.","Mijuskovic, J. (ORCID:0009000915899980)","Raicevic, N. (ORCID:0000000223862290)","Ahmad, A. (ORCID:0000000247701897)","Asghar, M. I.","Awais, A. (ORCID:000000033563257X)","Awan, M. I.M.","Gul, M. (ORCID:0000000257041896)","Hoorani, H. R. (ORCID:0000000200885043)","Khan, W. A. (ORCID:0000000304880941)","Shoaib, M. (ORCID:0000000167918252)","Waqas, M. (ORCID:0000000238469483)","Avati, V.","Grzanka, L. (ORCID:000000023599854X)","Malawski, M. (ORCID:0000000160050243)","Bialkowska, H. (ORCID:0000000259566258)","Bluj, M. (ORCID:0000000312291442)","Boimska, B. (ORCID:0000000242001541)","Górski, M. (ORCID:000000032146187X)","Kazana, M. (ORCID:0000000278213036)","Szleper, M. (ORCID:000000021697004X)","Zalewski, P. (ORCID:0000000344292888)","Bunkowski, K. (ORCID:0000000163719336)","Doroba, K. (ORCID:0000000278182364)","Kalinowski, A. (ORCID:0000000212805493)","Konecki, M. (ORCID:0000000194824841)","Krolikowski, J. (ORCID:0000000230550236)","Araujo, M. (ORCID:0000000281523756)","Bargassa, P. (ORCID:0000000186123332)","Bastos, D. (ORCID:0000000270322481)","Boletti, A. (ORCID:0000000332887737)","Faccioli, P. (ORCID:0000000318496692)","Gallinaro, M. (ORCID:0000000312612277)","Hollar, J. (ORCID:0000000286640134)","Leonardo, N. (ORCID:0000000297464594)","Niknejad, T. (ORCID:0000000332769482)","Pisano, M. (ORCID:0000000202647217)","Seixas, J. (ORCID:0000000275310842)","Varela, J. (ORCID:0000000326133146)","Adzic, P. (ORCID:0000000258627397)","Dordevic, M. (ORCID:0000000284073236)","Milenovic, P. (ORCID:0000000171323550)","Milosevic, J. (ORCID:0000000184864604)","Aguilar-Benitez, M.","Alcaraz Maestre, J. (ORCID:0000000309147474)","Álvarez Fernández, A. (ORCID:0000000315254620)","Barrio Luna, M.","Bedoya, Cristina F. (ORCID:0000000180579152)","Carrillo Montoya, C. A. (ORCID:0000000262456535)","Cepeda, M. (ORCID:0000000260764083)","Cerrada, M. (ORCID:0000000301121691)","Colino, N. (ORCID:0000000236560259)","De La Cruz, B. (ORCID:0000000190575614)","Delgado Peris, A. (ORCID:0000000285117958)","Fernández Del Val, D. (ORCID:0000000323461590)","Fernández Ramos, J. P. (ORCID:000000020122313X)","Flix, J. (ORCID:0000000326888047)","Fouz, M. C. (ORCID:000000032950976X)","Gonzalez Lopez, O. (ORCID:0000000245326464)","Goy Lopez, S. (ORCID:0000000165085090)","Hernandez, J. M. (ORCID:0000000164367547)","Josa, M. I. (ORCID:0000000249856964)","León Holgado, J. (ORCID:0000000241566460)","Moran, D. (ORCID:0000000219419333)","Perez Dengra, C. (ORCID:0000000328214249)","Pérez-Calero Yzquierdo, A. (ORCID:0000000330367965)","Puerta Pelayo, J. (ORCID:0000000173901457)","Redondo, I. (ORCID:0000000337374121)","Redondo Ferrero, D. D. (ORCID:0000000234630559)","Romero, L.","Sánchez Navas, S. (ORCID:0000000161299059)","Sastre, J. (ORCID:0000000216542846)","Urda Gómez, L. (ORCID:0000000278655010)","Vazquez Escobar, J. (ORCID:0000000275332283)","Willmott, C.","de Trocóniz, J. F. (ORCID:0000000207989806)","Alvarez Gonzalez, B. (ORCID:0000000177674810)","Cuevas, J. (ORCID:0000000150800821)","Fernandez Menendez, J. (ORCID:0000000252133708)","Folgueras, S. (ORCID:0000000171911125)","Gonzalez Caballero, I. (ORCID:0000000280873199)","González Fernández, J. R. (ORCID:0000000248258188)","Palencia Cortezon, E. (ORCID:0000000182640287)","Ramón Álvarez, C. (ORCID:0000000311750002)","Rodríguez Bouza, V. (ORCID:0000000272257310)","Soto Rodríguez, A. (ORCID:0000000229938663)","Trapote, A. (ORCID:0000000240302551)","Vico Villalba, C. (ORCID:0000000219051874)","Brochero Cifuentes, J. A. (ORCID:0000000320937856)","Cabrillo, I. J. (ORCID:0000000203674022)","Calderon, A. (ORCID:0000000272052040)","Duarte Campderros, J. (ORCID:0000000306875214)","Fernandez, M. (ORCID:0000000248241087)","Fernandez Madrazo, C. (ORCID:0000000197484336)","García Alonso, A.","Gomez, G. (ORCID:0000000210776553)","Lasaosa García, C. (ORCID:0000000327267111)","Martinez Rivero, C. (ORCID:000000023224956X)","Martinez Ruiz del Arbol, P. (ORCID:0000000277375121)","Matorras, F. (ORCID:0000000342955668)","Matorras Cuevas, P. (ORCID:0000000174817273)","Piedra Gomez, J. (ORCID:0000000291571700)","Prieels, C.","Ruiz-Jimeno, A. (ORCID:0000000236390368)","Scodellaro, L. (ORCID:0000000249748330)","Vila, I. (ORCID:0000000267977209)","Vizan Garcia, J. M. (ORCID:0000000268238854)","Jayananda, M. K. (ORCID:000000027577310X)","Kailasapathy, B. (ORCID:0000000324241303)","Sonnadara, D. U.J. (ORCID:0000000178622537)","Wickramarathna, D. D.C. (ORCID:0000000269418478)","Dharmaratna, W. G.D. (ORCID:000000026366837X)","Liyanage, K. (ORCID:0000000237927665)","Perera, N. (ORCID:0000000247479106)","Wickramage, N. (ORCID:0000000177603537)","Abbaneo, D. (ORCID:0000000194161742)","Alimena, J. (ORCID:0000000160303191)","Auffray, E. (ORCID:0000000185401097)","Auzinger, G. (ORCID:0000000170778262)","Baechler, J.","Baillon, P.","Barney, D. (ORCID:0000000249274921)","Bendavid, J. (ORCID:0000000279071789)","Bianco, M. (ORCID:0000000283363282)","Bilin, B. (ORCID:0000000314397128)","Bocci, A. (ORCID:0000000265155666)","Brondolin, E. (ORCID:000000015420586X)","Caillol, C. (ORCID:0000000256423040)","Camporesi, T. (ORCID:0000000150661876)","Cerminara, G. (ORCID:0000000228975753)","Chernyavskaya, N. (ORCID:0000000222642229)","Chhibra, S. S. (ORCID:0000000216431388)","Choudhury, S.","Cipriani, M. (ORCID:0000000201514439)","Cristella, L. (ORCID:0000000242791221)","d\'Enterria, D. (ORCID:0000000257544303)","Dabrowski, A. (ORCID:0000000325709676)","David, A. (ORCID:0000000158547699)","De Roeck, A. (ORCID:0000000292285271)","Defranchis, M. M. (ORCID:0000000195733714)","Deile, M. (ORCID:0000000150857270)","Dobson, M. (ORCID:0009000750213230)","Dünser, M. (ORCID:0000000285022297)","Dupont, N.","Fallavollita, F.","Florent, A. (ORCID:0000000165443679)","Forthomme, L. (ORCID:000000023302336X)","Franzoni, G. (ORCID:0000000191794253)","Funk, W. (ORCID:0000000304226739)","Ghosh, S. (ORCID:0000000167170803)","Giani, S.","Gigi, D.","Gill, K. (ORCID:0009000193315145)","Glege, F. (ORCID:0000000245262149)","Gouskos, L. (ORCID:0000000295477471)","Govorkova, E. (ORCID:0000000319206618)","Haranko, M. (ORCID:0000000293769235)","Hegeman, J. (ORCID:0000000229382263)","Innocente, V. (ORCID:0000000332092088)","James, T. (ORCID:0000000237270202)","Janot, P. (ORCID:0000000173394272)","Kaspar, J. (ORCID:0000000156392267)","Kieseler, J. (ORCID:0000000316447678)","Kratochwil, N. (ORCID:0000000152971878)","Laurila, S. (ORCID:0000000175078636)","Lecoq, P. (ORCID:0000000231980115)","Leutgeb, E. (ORCID:0000000348383306)","Lourenço, C. (ORCID:0000000308856711)","Maier, B. (ORCID:0000000152707540)","Malgeri, L. (ORCID:0000000201137389)","Mannelli, M. (ORCID:0000000337488946)","Marini, A. C. (ORCID:0000000323510487)","Meijers, F. (ORCID:0000000265303657)","Mersi, S. (ORCID:0000000321556692)","Meschi, E. (ORCID:0000000345026151)","Moortgat, F. (ORCID:0000000171990046)","Mulders, M. (ORCID:0000000174326634)","Orfanelli, S.","Orsini, L.","Pantaleo, F. (ORCID:0000000332664357)","Perez, E.","Peruzzi, M. (ORCID:000000020416696X)","Petrilli, A. (ORCID:0000000308871882)","Petrucciani, G. (ORCID:0000000308894726)","Pfeiffer, A. (ORCID:000000015328448X)","Pierini, M. (ORCID:0000000319394268)","Piparo, D. (ORCID:0009000669583111)","Pitt, M. (ORCID:0000000324615985)","Qu, H. (ORCID:0000000202508655)","Quast, T.","Rabady, D. (ORCID:0000000192390605)","Racz, A.","Reales Gutiérrez, G.","Rovere, M. (ORCID:0000000180481622)","Sakulin, H. (ORCID:0000000321817258)","Salfeld-Nebgen, J. (ORCID:0000000338795622)","Scarfi, S. (ORCID:0009000686893576)","Selvaggi, M. (ORCID:0000000251449655)","Sharma, A. (ORCID:0000000298601650)","Silva, P. (ORCID:000000025725041X)","Sphicas, P. (ORCID:0000000254565977)","Stahl Leiton, A. G. (ORCID:000000025397252X)","Summers, S. (ORCID:0000000342442061)","Tatar, K. (ORCID:0000000264480168)","Tavolaro, V. R. (ORCID:0000000325187521)","Treille, D. (ORCID:0009000559529843)","Tropea, P. (ORCID:0000000318992266)","Tsirou, A.","Wanczyk, J. (ORCID:0000000285621863)","Wozniak, K. A. (ORCID:0000000243951581)","Zeuner, W. D.","Caminada, L. (ORCID:0000000156776033)","Ebrahimi, A. (ORCID:000000034472867X)","Erdmann, W. (ORCID:000000019964249X)","Horisberger, R. (ORCID:0000000255941321)","Ingram, Q. (ORCID:000000029576055X)","Kaestli, H. C. (ORCID:0000000319797331)","Kotlinski, D. (ORCID:0000000153334918)","Lange, C. (ORCID:0000000236323157)","Missiroli, M. (ORCID:0000000217801344)","Noehte, L. (ORCID:0000000161257203)","Rohe, T. (ORCID:0009000561887754)","Aarrestad, T. K. (ORCID:000000027671243X)","Androsov, K. (ORCID:0000000326946542)","Backhaus, M. (ORCID:0000000258882304)","Berger, P.","Calandri, A. (ORCID:0000000177740099)","Datta, K. (ORCID:0000000266740015)","De Cosa, A. (ORCID:0000000325332856)","Dissertori, G. (ORCID:0000000245492569)","Dittmar, M.","Donegà, M. (ORCID:0000000198300412)","Eble, F. (ORCID:0009000206383447)","Galli, M. (ORCID:0000000294084756)","Gedia, K. (ORCID:0009000609147684)","Glessgen, F. (ORCID:0000000153091960)","Gómez Espinosa, T. A. (ORCID:0000000294437769)","Grab, C. (ORCID:0000000261823380)","Hits, D. (ORCID:0000000231356427)","Lustermann, W. (ORCID:0000000349702217)","Lyon, A. -M. (ORCID:0009000413936577)","Manzoni, R. A. (ORCID:0000000275845038)","Marchese, L. (ORCID:0000000166278716)","Martin Perez, C. (ORCID:0000000315816152)","Mascellani, A. (ORCID:0000000163625356)","Nessi-Tedaldi, F. (ORCID:0000000247217966)","Niedziela, J. (ORCID:0000000295140799)","Pauss, F. (ORCID:0000000237524639)","Perovic, V. (ORCID:0009000285590531)","Pigazzini, S. (ORCID:0000000280464344)","Ratti, M. G. (ORCID:0000000317777855)","Reichmann, M. (ORCID:0000000262205496)","Reissel, C. (ORCID:0000000170801119)","Reitenspiess, T. (ORCID:0000000222490835)","Ristic, B. (ORCID:0000000286101130)","Riti, F. (ORCID:0000000214669077)","Ruini, D.","Sanz Becerra, D. A. (ORCID:0000000266104019)","Steggemann, J. (ORCID:0000000344205510)","Valsecchi, D. (ORCID:0000000185878266)","Wallny, R. (ORCID:0000000180381613)","Amsler, C. (ORCID:000000027695501X)","Bärtschi, P. (ORCID:0000000288426027)","Botta, C. (ORCID:000000028072795X)","Brzhechko, D.","Canelli, M. F. (ORCID:0000000163612117)","Cormier, K. (ORCID:0000000178733579)","De Wit, A. (ORCID:0000000252911661)","Del Burgo, R.","Heikkilä, J. K. (ORCID:0000000205381469)","Huwiler, M. (ORCID:0000000298065907)","Jin, W. (ORCID:0009000989767702)","Jofrehei, A. (ORCID:0000000289925426)","Kilminster, B. (ORCID:0000000266570407)","Leontsinis, S. (ORCID:0000000275616091)","Liechti, S. P. (ORCID:0000000211921628)","Macchiolo, A. (ORCID:0000000301996957)","Meiring, P. (ORCID:0009000194804039)","Mikuni, V. M. (ORCID:0000000215792421)","Molinatti, U. (ORCID:0000000292353406)","Neutelings, I. (ORCID:0009000264731403)","Reimers, A. (ORCID:0000000294382059)","Robmann, P.","Sanchez Cruz, S. (ORCID:000000029991195X)","Schweiger, K. (ORCID:0000000258463919)","Senger, M. (ORCID:0000000219925711)","Takahashi, Y. (ORCID:0000000151842265)","Adloff, C.","Kuo, C. M.","Lin, W.","Rout, P. K. (ORCID:0000000181496180)","Yu, S. S. (ORCID:0000000260118516)","Ceard, L.","Chao, Y. (ORCID:000000025976318X)","Chen, K. F. (ORCID:0000000313043782)","Chen, P. s.","Cheng, H. (ORCID:0000000164567178)","Hou, W. -S. (ORCID:0000000242605118)","Khurana, R.","Kole, G. (ORCID:0000000232851497)","Li, Y. y. (ORCID:000000033598556X)","Lu, R. -S. (ORCID:0000000168281695)","Paganis, E. (ORCID:0000000219508993)","Psallidas, A.","Steen, A. (ORCID:0009000643663463)","Wu, H. y.","Yazgan, E. (ORCID:0000000157327950)","Yu, P. r.","Asawatangtrakuldee, C. (ORCID:0000000322347219)","Srimanobhas, N. (ORCID:0000000335632959)","Agyel, D. (ORCID:0000000217978844)","Boran, F. (ORCID:000000023611390X)","Demiroglu, Z. S. (ORCID:0000000179777127)","Dolek, F. (ORCID:0000000170925517)","Dumanoglu, I. (ORCID:0000000200395503)","Eskut, E. (ORCID:0000000183283314)","Guler, Y. (ORCID:0000000175985252)","Gurpinar Guler, E. (ORCID:0000000261720285)","Isik, C. (ORCID:0000000279770811)","Kara, O.","Kayis Topaksu, A. (ORCID:0000000231694573)","Kiminsu, U. (ORCID:0000000169407800)","Onengut, G. (ORCID:0000000262744254)","Ozdemir, K. (ORCID:0000000201031488)","Polatoz, A. (ORCID:0000000195160821)","Simsek, A. E. (ORCID:0000000290742256)","Tali, B. (ORCID:0000000274475602)","Tok, U. G. (ORCID:000000023039021X)","Turkcapar, S. (ORCID:0000000326080494)","Uslan, E. (ORCID:0000000224720526)","Zorbakir, I. S. (ORCID:0000000259622221)","Karapinar, G.","Ocalan, K. (ORCID:0000000284191400)","Yalvac, M. (ORCID:0000000349159162)","Akgun, B. (ORCID:0000000188883562)","Atakisi, I. O. (ORCID:0000000292317464)","Gülmez, E. (ORCID:000000026353518X)","Kaya, M. (ORCID:0000000328904493)","Kaya, O. (ORCID:0000000284853822)","Tekten, S. (ORCID:0000000296245525)","Cakir, A. (ORCID:0000000286277689)","Cankocak, K. (ORCID:0000000238293481)","Komurcu, Y. (ORCID:000000027084030X)","Sen, S. (ORCID:0000000173251087)","Aydilek, O. (ORCID:0000000225676766)","Cerci, S. (ORCID:0000000287026152)","Hacisahinoglu, B. (ORCID:0000000226461230)","Hos, I. (ORCID:0000000276781101)","Isildak, B. (ORCID:0000000202835234)","Kaynak, B. (ORCID:0000000338572496)","Ozkorucuklu, S. (ORCID:0000000151539266)","Simsek, C. (ORCID:0000000273598635)","Sunar Cerci, D. (ORCID:0000000254124688)","Grynyov, B. (ORCID:0000000317000173)","Levchuk, L. (ORCID:0000000158897410)","Anthony, D. (ORCID:0000000250168886)","Bhal, E. (ORCID:000000034494628X)","Brooke, J. J. (ORCID:0000000325290684)","Bundock, A. (ORCID:0000000229166456)","Clement, E. (ORCID:0000000334124004)","Cussans, D. (ORCID:0000000181920826)","Flacher, H. (ORCID:000000025371941X)","Glowacki, M.","Goldstein, J. (ORCID:0000000315916014)","Heath, G. P.","Heath, H. F. (ORCID:0000000165769740)","Kreczko, L. (ORCID:0000000323418330)","Krikler, B. (ORCID:0000000197120030)","Paramesvaran, S. (ORCID:0000000347488296)","Seif El Nasr-Storey, S.","Smith, V. J. (ORCID:0000000345432547)","Stylianou, N. (ORCID:0000000201136829)","Walkingshaw Pass, K.","White, R. (ORCID:000000015793526X)","Ball, A. H.","Bell, K. W. (ORCID:0000000222945860)","Belyaev, A. (ORCID:0000000217334408)","Brew, C. (ORCID:0000000165958365)","Brown, R. M. (ORCID:0000000267280153)","Cockerill, D. J.A. (ORCID:0000000324275765)","Cooke, C. (ORCID:0000000337304895)","Ellis, K. V.","Harder, K. (ORCID:0000000229656973)","Harper, S. (ORCID:0000000156372653)","Holmberg, M. -L. (ORCID:0000000294735985)","Jain, Sh (ORCID:0000000317705309)","Linacre, J. (ORCID:000000017555652X)","Manolopoulos, K.","Newbold, D. M. (ORCID:0000000290159634)","Olaiya, E.","Petyt, D. (ORCID:0000000223694469)","Reis, T. (ORCID:0000000337036624)","Salvi, G. (ORCID:0000000227871063)","Schuh, T.","Shepherd-Themistocleous, C. H. (ORCID:0000000305516949)","Tomalin, I. R. (ORCID:0000000324194439)","Williams, T. (ORCID:0000000287244678)","Bainbridge, R. (ORCID:0000000191574832)","Bloch, P. (ORCID:000000016716979X)","Bonomally, S.","Borg, J. (ORCID:0000000277167621)","Brown, C. E. (ORCID:0000000277666615)","Buchmuller, O.","Cacchio, V.","Cepaitis, V. (ORCID:0000000248094056)","Chahal, G. S. (ORCID:0000000303204407)","Colling, D. (ORCID:0000000199594977)","Dancu, J. S.","Dauncey, P. (ORCID:0000000168399466)","Davies, G. (ORCID:0000000186685001)","Davies, J.","Della Negra, M. (ORCID:0000000164978081)","Fayer, S.","Fedi, G. (ORCID:0000000191012573)","Hall, G. (ORCID:0000000262998385)","Hassanshahi, M. H. (ORCID:0000000166344517)","Howard, A.","Iles, G. (ORCID:0000000212195859)","Langford, J. (ORCID:0000000239314379)","Lyons, L. (ORCID:0000000179459188)","Magnan, A. -M. (ORCID:0000000242661646)","Malik, S.","Martelli, A. (ORCID:0000000335302255)","Mieskolainen, M. (ORCID:0000000188937401)","Monk, D. G. (ORCID:0000000283771999)","Nash, J. (ORCID:0000000306076519)","Pesaresi, M.","Radburn-Smith, B. C. (ORCID:0000000314889675)","Raymond, D. M.","Richards, A.","Rose, A. (ORCID:000000029773550X)","Scott, E. (ORCID:0000000303526836)","Seez, C. (ORCID:0000000216375494)","Shukla, R. (ORCID:0000000156705497)","Tapper, A. (ORCID:000000034543864X)","Uchida, K. (ORCID:0000000307422276)","Uttley, G. P. (ORCID:0009000262486467)","Vage, L. H.","Virdee, T. (ORCID:0000000174292198)","Vojinovic, M. (ORCID:0000000186652808)","Wardle, N. (ORCID:0000000313443356)","Webb, S. N. (ORCID:0000000347498814)","Winterbottom, D. (ORCID:000000034582150X)","Coldham, K.","Cole, J. E. (ORCID:0000000156387599)","Khan, A.","Kyberd, P. (ORCID:0000000273537090)","Reid, I. D. (ORCID:000000029235779X)","Abdullin, S. (ORCID:0000000348856935)","Brinkerhoff, A. (ORCID:0000000248197995)","Caraway, B. (ORCID:0000000260882020)","Dittmann, J. (ORCID:0000000219113158)","Hatakeyama, K. (ORCID:0000000260122451)","Kanuganti, A. R. (ORCID:0000000207891200)","McMaster, B. (ORCID:0000000244940446)","Saunders, M. (ORCID:0000000315729075)","Sawant, S. (ORCID:0000000219817753)","Sutantawibul, C. (ORCID:0000000306000151)","Wilson, J. (ORCID:0000000256727394)","Bartek, R. (ORCID:0000000216862882)","Dominguez, A. (ORCID:0000000274205493)","Uniyal, R. (ORCID:0000000173456293)","Vargas Hernandez, A. M. (ORCID:0000000289117197)","Cooper, S. I. (ORCID:0000000246180313)","Di Croce, D. (ORCID:0000000211227919)","Gleyzer, S. V. (ORCID:0000000262228102)","Henderson, C. (ORCID:0000000269869404)","Perez, C. U. (ORCID:0000000268612674)","Rumerio, P. (ORCID:0000000217025541)","West, C. (ORCID:0000000344602241)","Akpinar, A. (ORCID:0000000175106617)","Albert, A. (ORCID:0000000323699507)","Arcaro, D. (ORCID:0000000194578302)","Cosby, C. (ORCID:0000000303526561)","Demiragli, Z. (ORCID:000000018521737X)","Erice, C. (ORCID:0000000264693200)","Fontanesi, E. (ORCID:0000000206625904)","Gastler, D. (ORCID:0009000073076311)","May, S. (ORCID:0000000263516122)","Rohlf, J. (ORCID:0000000164239799)","Salyer, K. (ORCID:0000000269571077)","Sperka, D. (ORCID:0000000246242019)","Spitzbart, D. (ORCID:0000000320252742)","Suarez, I. (ORCID:0000000253746995)","Tsatsos, A. (ORCID:0000000183108911)","Yuan, S. (ORCID:000000022029024X)","Benelli, G. (ORCID:0000000344618905)","Burkle, B. (ORCID:000000031645822X)","Coubez, X.","Cutts, D. (ORCID:0000000310417099)","Hadley, M. (ORCID:0000000270684327)","Heintz, U. (ORCID:0000000275903058)","Hogan, J. M. (ORCID:0000000286043452)","Kwon, T. (ORCID:0000000195946277)","Landsberg, G. (ORCID:0000000241849380)","Lau, K. T. (ORCID:0000000313718575)","Li, D. (ORCID:0000000308908948)","Luo, J. (ORCID:0000000241088681)","Narain, M. (ORCID:0000000278577403)","Pervan, N. (ORCID:0000000281538464)","Sagir, S. (ORCID:0000000226145860)","Simpson, F. (ORCID:0000000189449629)","Usai, E. (ORCID:0000000193232107)","Wong, W. Y.","Yan, X. (ORCID:0000000264260560)","Yu, D. (ORCID:0000000159215231)","Zhang, W.","Bonilla, J. (ORCID:0000000269826121)","Brainerd, C. (ORCID:0000000295521006)","Breedon, R. (ORCID:0000000153147581)","Calderon De La Barca Sanchez, M. (ORCID:0000000198354349)","Chertok, M. (ORCID:0000000227296273)","Conway, J. (ORCID:0000000327195779)","Cox, P. T. (ORCID:0000000312182828)","Erbacher, R. (ORCID:0000000171708944)","Haza, G. (ORCID:0009000113263956)","Jensen, F. (ORCID:0000000337699081)","Kukral, O. (ORCID:0009000738586659)","Mocellin, G. (ORCID:0000000215313478)","Mulhearn, M. (ORCID:0000000311456436)","Pellett, D. (ORCID:0009000003898571)","Regnery, B. (ORCID:000000031539923X)","Yao, Y. (ORCID:0000000259904245)","Zhang, F. (ORCID:0000000261582468)","Bachtis, M. (ORCID:0000000331100701)","Cousins, R. (ORCID:0000000259630467)","Datta, A. (ORCID:0000000326957719)","Hamilton, D. (ORCID:000000025408169X)","Hauser, J. (ORCID:0000000297814873)","Ignatenko, M. (ORCID:0000000182585863)","Iqbal, M. A. (ORCID:0000000186641949)","Lam, T. (ORCID:0000000208627348)","Manca, E. (ORCID:000000018946655X)","Nash, W. A. (ORCID:0009000436338967)","Regnard, S. (ORCID:0000000298186725)","Saltzberg, D. (ORCID:0000000306589146)","Stone, B. (ORCID:0000000293975231)","Valuev, V. (ORCID:0000000207836703)","Clare, R. (ORCID:0000000332935305)","Gary, J. W. (ORCID:0000000301755731)","Gordon, M.","Hanson, G. (ORCID:0000000272734009)","Karapostoli, G. (ORCID:0000000242802541)","Long, O. R. (ORCID:0000000221807634)","Manganelli, N. (ORCID:0000000233984531)","Si, W. (ORCID:0000000258796326)","Wimpenny, S. (ORCID:0000000305054908)","Branson, J. G. (ORCID:0009000956834614)","Chang, P. (ORCID:0000000220956320)","Cittolin, S. (ORCID:0000000209229587)","Cooperstein, S. (ORCID:0000000302623132)","Diaz, D. (ORCID:0000000168341176)","Duarte, J. (ORCID:0000000250767096)","Gerosa, R. (ORCID:0000000183593734)","Giannini, L. (ORCID:0000000256217706)","Guiang, J. (ORCID:0000000221558260)","Kansal, R. (ORCID:0000000324451060)","Krutelyov, V. (ORCID:0000000213860232)","Lee, R. (ORCID:0009000046340797)","Letts, J. (ORCID:0000000201561251)","Masciovecchio, M. (ORCID:0000000282009425)","Mokhtar, F. (ORCID:0000000325333402)","Pieri, M. (ORCID:0000000333036301)","Sathia Narayanan, B. V. (ORCID:0000000320765126)","Sharma, V. (ORCID:0000000317368795)","Tadel, M. (ORCID:0000000188000045)","Vourliotis, E. (ORCID:0000000222700492)","Würthwein, F. (ORCID:0000000159126124)","Xiang, Y. (ORCID:0000000341127457)","Yagil, A. (ORCID:0000000261084004)","Amin, N.","Campagnari, C. (ORCID:0000000289788177)","Citron, M. (ORCID:0000000162508465)","Collura, G. (ORCID:0000000241601844)","Dorsett, A. (ORCID:0000000153493011)","Dutta, V. (ORCID:000000015958829X)","Incandela, J. (ORCID:0000000198502030)","Kilpatrick, M. (ORCID:0000000226020566)","Kim, J. (ORCID:0000000220726082)","Li, A. J. (ORCID:000000023895717X)","Masterson, P. (ORCID:0000000268907624)","Mei, H. (ORCID:0000000298388327)","Oshiro, M. (ORCID:0000000222007516)","Quinnan, M. (ORCID:0000000329025597)","Richman, J. (ORCID:000000025189146X)","Sarica, U. (ORCID:0000000215574424)","Schmitz, R. (ORCID:000000032328677X)","Setti, F. (ORCID:0000000198007822)","Sheplock, J. (ORCID:0000000287521946)","Siddireddy, P.","Stuart, D. (ORCID:0000000249650747)","Wang, S. (ORCID:0000000178871728)","Bornheim, A. (ORCID:0000000201280871)","Cerri, O.","Dutta, I. (ORCID:0000000309534503)","Latorre, A.","Lawhorn, J. M. (ORCID:0000000285979259)","Mao, J. (ORCID:0009000289889987)","Newman, H. B. (ORCID:0000000309641480)","Nguyen, T. Q. (ORCID:0000000339545131)","Spiropulu, M. (ORCID:0000000181727081)","Vlimant, J. R. (ORCID:000000029705101X)","Wang, C. (ORCID:0000000201177196)","Xie, S. (ORCID:0000000325095731)","Zhu, R. Y. (ORCID:0000000330917461)","Alison, J. (ORCID:0000000308431641)","An, S. (ORCID:0000000297401622)","Andrews, M. B. (ORCID:0000000155374518)","Bryant, P. (ORCID:0000000181456322)","Ferguson, T. (ORCID:0000000158223731)","Harilal, A. (ORCID:0000000196251987)","Liu, C. (ORCID:0000000231007294)","Mudholkar, T. (ORCID:0000000293528140)","Murthy, S. (ORCID:0000000212779168)","Paulini, M. (ORCID:0000000267145787)","Roberts, A. (ORCID:0000000251390550)","Sanchez, A. (ORCID:0000000254316989)","Terrill, W. (ORCID:0000000220788419)","Cumalat, J. P. (ORCID:0000000260325857)","Ford, W. T. (ORCID:0000000187036943)","Hassani, A. (ORCID:0009000843227682)","Karathanasis, G. (ORCID:0000000151155828)","MacDonald, E.","Marini, F. (ORCID:0000000223746433)","Perloff, A. (ORCID:0000000152300396)","Savard, C. (ORCID:0009000075070570)","Schonbeck, N. (ORCID:0009000834307269)","Stenson, K. (ORCID:000000034888205X)","Ulmer, K. A. (ORCID:0000000168759177)","Wagner, S. R. (ORCID:0000000292695772)","Zipper, N. (ORCID:0000000248058020)","Alexander, J. (ORCID:000000022046342X)","Bright-Thonney, S. (ORCID:0000000318897824)","Chen, X. (ORCID:0000000281571328)","Cranshaw, D. J. (ORCID:0000000274982129)","Fan, J. (ORCID:0009000337289960)","Fan, X. (ORCID:0000000320670127)","Gadkari, D. (ORCID:0000000266258085)","Hogan, S. (ORCID:0000000336572281)","Monroy, J. (ORCID:0000000273944710)","Patterson, J. R. (ORCID:0000000238153649)","Quach, D. (ORCID:0000000216220134)","Reichert, J. (ORCID:0000000321108021)","Reid, M. (ORCID:0000000177061416)","Ryd, A. (ORCID:0000000158491912)","Thom, J. (ORCID:0000000248708468)","Wittich, P. (ORCID:0000000274012181)","Zou, R. (ORCID:0000000205421264)","Albrow, M. (ORCID:0000000173294925)","Alyari, M. (ORCID:0000000192683360)","Apollinari, G. (ORCID:0000000252125396)","Apresyan, A. (ORCID:0000000261860130)","Bauerdick, L. A.T. (ORCID:0000000271709012)","Berry, D. (ORCID:0000000253838320)","Berryhill, J. (ORCID:0000000281243033)","Bhat, P. C. (ORCID:0000000333709246)","Burkett, K. (ORCID:0000000222844744)","Butler, J. N. (ORCID:0000000207458618)","Canepa, A. (ORCID:0000000340453998)","Cerati, G. B. (ORCID:0000000335480262)","Cheung, H. W.K. (ORCID:0000000163899357)","Chlebana, F. (ORCID:0000000287628559)","Di Petrillo, K. F. (ORCID:0000000180014602)","Dickinson, J. (ORCID:0000000154505328)","Elvira, V. D. (ORCID:0000000344464395)","Feng, Y. (ORCID:000000032812338X)","Freeman, J. (ORCID:0000000234155671)","Gandrakota, A. (ORCID:0000000348603233)","Gecse, Z. (ORCID:0009000965613418)","Gray, L. (ORCID:0000000264084288)","Green, D.","Grünendahl, S. (ORCID:0000000248570294)","Guerrero, D. (ORCID:0000000155525400)","Gutsche, O. (ORCID:0000000280159622)","Harris, R. M. (ORCID:0000000314613425)","Heller, R. (ORCID:0000000273686723)","Herwig, T. C. (ORCID:0000000242806382)","Hirschauer, J. (ORCID:0000000282440805)","Horyn, L. (ORCID:0000000295124932)","Jayatilaka, B. (ORCID:0000000179125612)","Jindariani, S. (ORCID:0009000070466533)","Johnson, M. (ORCID:0000000177578458)","Joshi, U. (ORCID:0000000183750760)","Klijnsma, T. (ORCID:0000000316756040)","Klima, B. (ORCID:0000000236917625)","Kwok, K. H.M. (ORCID:0000000286936146)","Lammel, S. (ORCID:000000030027635X)","Lincoln, D. (ORCID:0000000205997407)","Lipton, R. (ORCID:0000000266657289)","Liu, T. (ORCID:0009000765225605)","Madrid, C. (ORCID:0000000333012246)","Maeshima, K. (ORCID:000900002822897X)","Mantilla, C. (ORCID:0000000201775903)","Mason, D. (ORCID:0000000200745390)","McBride, P. (ORCID:0000000161597750)","Merkel, P. (ORCID:0000000347275442)","Mrenna, S. (ORCID:000000018731160X)","Nahn, S. (ORCID:0000000289490178)","Ngadiuba, J. (ORCID:0000000200552935)","Noonan, D. (ORCID:0000000239323769)","Papadimitriou, V. (ORCID:0000000206907186)","Pastika, N. (ORCID:0009000609936245)","Pedro, K. (ORCID:0000000322609151)","Pena, C. (ORCID:0000000245007930)","Ravera, F. (ORCID:0000000336320287)","Reinsvold Hall, A. (ORCID:0000000316538553)","Ristori, L. (ORCID:0000000319502492)","Sexton-Kennedy, E. (ORCID:0000000191711980)","Smith, N. (ORCID:0000000203243054)","Soha, A. (ORCID:0000000259681192)","Spiegel, L. (ORCID:0000000196721328)","Strait, J. (ORCID:0000000272338348)","Taylor, L. (ORCID:0000000265842538)","Tkaczyk, S. (ORCID:0000000176425185)","Tran, N. V. (ORCID:0000000284406854)","Uplegger, L. (ORCID:000000029202803X)","Vaandering, E. W. (ORCID:0000000332076950)","Zoi, I. (ORCID:0000000257389446)","Avery, P. (ORCID:000000030609627X)","Bourilkov, D. (ORCID:0000000302604935)","Cadamuro, L. (ORCID:000000018789610X)","Cherepanov, V. (ORCID:0000000267484850)","Field, R. D.","Kim, M.","Koenig, E. (ORCID:0000000208847922)","Konigsberg, J. (ORCID:0000000168508765)","Korytov, A. (ORCID:0000000192393398)","Kuznetsova, E. (ORCID:0000000255108305)","Lo, K. H.","Matchev, K. (ORCID:0000000341829096)","Menendez, N. (ORCID:0000000232953194)","Mitselmakher, G. (ORCID:0000000157453658)","Muthirakalayil Madhu, A. (ORCID:0000000312093032)","Rawal, N. (ORCID:0000000277343170)","Rosenzweig, D. (ORCID:0000000236875189)","Rosenzweig, S. (ORCID:0000000256131507)","Shi, K. (ORCID:0000000224750055)","Wang, J. (ORCID:0000000338794873)","Wu, Z. (ORCID:0000000321659501)","Adams, T. (ORCID:0000000180495143)","Askew, A. (ORCID:0000000271721396)","Bower, N. (ORCID:0000000187750696)","Habibullah, R. (ORCID:0000000231618300)","Hagopian, V. (ORCID:0000000237911989)","Kolberg, T. (ORCID:0000000202116109)","Martinez, G.","Prosper, H. (ORCID:0000000240772713)","Viazlo, O. (ORCID:0000000229570301)","Wulansatiti, M. (ORCID:0000000167943079)","Yohay, R. (ORCID:0000000201249065)","Zhang, J.","Baarmand, M. M. (ORCID:0000000297928619)","Butalla, S. (ORCID:0000000334239581)","Elkafrawy, T. (ORCID:0000000199306445)","Hohlmann, M. (ORCID:0000000345789319)","Kumar Verma, R. (ORCID:000000028264156X)","Rahmani, M.","Yumiceva, F. (ORCID:0000000324365074)","Adams, M. R. (ORCID:0000000184933737)","Becerril Gonzalez, H. (ORCID:000000015387712X)","Cavanaugh, R. (ORCID:0000000171693420)","Dittmer, S. (ORCID:0000000253599614)","Evdokimov, O. (ORCID:0000000212508931)","Gerber, C. E. (ORCID:0000000281169021)","Hofman, D. J. (ORCID:0000000224493845)","Lemos, D. S. (ORCID:0000000319828978)","Merrit, A. H. (ORCID:0000000339226464)","Mills, C. (ORCID:0000000180354818)","Oh, G. (ORCID:0000000307441063)","Roy, T. (ORCID:0000000172997653)","Rudrabhatla, S. (ORCID:0000000273664225)","Tonjes, M. B. (ORCID:0000000226179315)","Varelas, N. (ORCID:0000000293975514)","Wang, X. (ORCID:0000000327928493)","Ye, Z. (ORCID:0000000160916772)","Yoo, J. (ORCID:0000000238261332)","Alhusseini, M. (ORCID:000000029239470X)","Dilsiz, K. (ORCID:0000000301383368)","Emediato, L. (ORCID:0000000230215032)","Gandrajula, R. P. (ORCID:0000000190533182)","Karaman, G. (ORCID:0000000187399648)","Köseyan, O. K. (ORCID:0000000190403468)","Merlo, J. -P.","Mestvirishvili, A. (ORCID:0000000285915247)","Nachtman, J. (ORCID:0000000339513420)","Neogi, O.","Ogul, H. (ORCID:0000000251212893)","Onel, Y. (ORCID:0000000281417769)","Penzo, A. (ORCID:000000033436047X)","Snyder, C.","Tiras, E. (ORCID:0000000256287464)","Amram, O. (ORCID:0000000237653123)","Blumenfeld, B. (ORCID:0000000311501735)","Corcodilos, L. (ORCID:0000000167513108)","Davis, J. (ORCID:0000000164886195)","Gritsan, A. V. (ORCID:0000000235457970)","Kyriacou, S. (ORCID:0000000292544368)","Maksimovic, P. (ORCID:0000000223582168)","Roskes, J. (ORCID:0000000187610490)","Sekhar, S. (ORCID:0000000283077518)","Swartz, M. (ORCID:0000000202865070)","Vámi, T. Á. (ORCID:0000000209599211)","Abreu, A. (ORCID:0000000290002215)","Alcerro Alcerro, L. F. (ORCID:0000000157705077)","Anguiano, J. (ORCID:000000027349350X)","Baringer, P. (ORCID:0000000236918388)","Bean, A. (ORCID:0000000159678674)","Flowers, Z. (ORCID:0000000183142052)","Isidori, T. (ORCID:0000000279344038)","King, J. (ORCID:0000000196529854)","Krintiras, G. (ORCID:0000000203807577)","Lazarovits, M. (ORCID:0000000255653119)","Le Mahieu, C. (ORCID:0000000159241130)","Lindsey, C.","Marquez, J. (ORCID:0000000338874048)","Minafra, N. (ORCID:0000000340021888)","Murray, M. (ORCID:0000000172194818)","Nickel, M. (ORCID:0000000304191329)","Rogan, C. (ORCID:0000000241664503)","Royon, C. (ORCID:0000000276729709)","Salvatico, R. (ORCID:0000000227510567)","Sanders, S. (ORCID:0000000294916022)","Smith, C. (ORCID:0000000305050528)","Wang, Q. (ORCID:0000000338043244)","Williams, J. (ORCID:0000000298107097)","Wilson, G. (ORCID:0000000309174763)","Allmond, B. (ORCID:0000000255937736)","Duric, S.","Ivanov, A. (ORCID:0000000292705643)","Kaadze, K. (ORCID:000000030571163X)","Kim, D.","Maravin, Y. (ORCID:0000000294490666)","Mitchell, T.","Modak, A.","Nam, K.","Roy, D. (ORCID:0000000286597762)","Rebassoo, F. (ORCID:0000000189349329)","Wright, D. (ORCID:0000000235863354)","Adams, E. (ORCID:0000000328092683)","Baden, A. (ORCID:0000000261593861)","Baron, O.","Belloni, A. (ORCID:000000021727656X)","Bethani, A. (ORCID:0000000281507043)","Eno, S. C. (ORCID:0000000342822515)","Hadley, N. J. (ORCID:0000000212096471)","Jabeen, S. (ORCID:0000000201557383)","Kellogg, R. G. (ORCID:000000019235521X)","Koeth, T. (ORCID:0000000200820514)","Lai, Y. (ORCID:0000000277958693)","Lascio, S. (ORCID:0000000185795874)","Mignerey, A. C. (ORCID:0000000151646969)","Nabili, S. (ORCID:0000000268931018)","Palmer, C. (ORCID:0000000258015737)","Papageorgakis, C. (ORCID:0000000345480346)","Wang, L. (ORCID:0000000334430626)","Wong, K. (ORCID:0000000296981354)","Abercrombie, D.","Busza, W. (ORCID:0000000238319071)","Cali, I. A. (ORCID:0000000228223375)","Chen, Y. (ORCID:0000000325826469)","D\'Alfonso, M. (ORCID:0000000274097904)","Eysermans, J. (ORCID:0000000164837123)","Freer, C. (ORCID:0000000279674635)","Gomez-Ceballos, G. (ORCID:0000000316839460)","Goncharov, M.","Harris, P.","Hu, M. (ORCID:0000000328586931)","Kovalskyi, D. (ORCID:000000026923293X)","Krupa, J. (ORCID:0000000307857552)","Lee, Y. -J. (ORCID:0000000325937767)","Long, K. (ORCID:0000000306641653)","Mironov, C. (ORCID:0000000285992437)","Paus, C. (ORCID:0000000260474211)","Rankin, D. (ORCID:0000000184119620)","Roland, C. (ORCID:0000000273125854)","Roland, G. (ORCID:0000000189832169)","Shi, Z. (ORCID:0000000154988825)","Stephans, G. S.F. (ORCID:0000000331064894)","Wang, J.","Wang, Z. (ORCID:0000000230743767)","Wyslouch, B. (ORCID:0000000336810649)","Yang, T. J. (ORCID:0000000343174660)","Chatterjee, R. M.","Crossman, B. (ORCID:0000000227005085)","Evans, A. (ORCID:0000000274271079)","Hiltbrand, J. (ORCID:0000000316915937)","Joshi, B. M. (ORCID:0000000247230968)","Kapsiak, C. (ORCID:0009000877435316)","Krohn, M. (ORCID:0000000217112506)","Kubota, Y. (ORCID:0000000161464827)","Mans, J. (ORCID:0000000328401087)","Revering, M. (ORCID:0000000150510293)","Rusack, R. (ORCID:000000027633749X)","Saradhy, R. (ORCID:000000018720293X)","Schroeder, N. (ORCID:0000000283366141)","Strobbe, N. (ORCID:0000000188358282)","Wadud, M. A. (ORCID:0000000206530761)","Cremaldi, L. M. (ORCID:0000000155507827)","Bloom, K. (ORCID:0000000242728900)","Bryson, M.","Claes, D. R. (ORCID:0000000341988919)","Fangmeier, C. (ORCID:0000000259988047)","Finco, L. (ORCID:0000000226305465)","Golf, F. (ORCID:0000000335679351)","Joo, C. (ORCID:0000000256614330)","Kamalieddin, R.","Kravchenko, I. (ORCID:0000000300680395)","Reed, I. (ORCID:0000000218238856)","Siado, J. E. (ORCID:000000029757470X)","Snow, G. R.","Tabb, W. (ORCID:0000000295424847)","Wightman, A. (ORCID:0000000166515320)","Yan, F. (ORCID:0000000240420785)","Zecchinelli, A. G. (ORCID:000000018986278X)","Agarwal, G. (ORCID:0000000225935297)","Bandyopadhyay, H. (ORCID:0000000197264915)","Hay, L. (ORCID:0000000270867641)","Iashvili, I. (ORCID:0000000319485901)","Kharchilava, A. (ORCID:0000000239130326)","McLean, C. (ORCID:0000000274504805)","Morris, M. (ORCID:0000000228306488)","Nguyen, D. (ORCID:0000000251858504)","Pekkanen, J. (ORCID:0000000266817668)","Rappoccio, S. (ORCID:0000000254492560)","Williams, A. (ORCID:0000000340556532)","Alverson, G. (ORCID:0000000166511178)","Barberis, E. (ORCID:0000000264175913)","Haddad, Y. (ORCID:0000000349167752)","Han, Y. (ORCID:0000000235106505)","Krishna, A. (ORCID:000000024319818X)","Li, J. (ORCID:0000000152452074)","Lidrych, J. (ORCID:0000000314390196)","Madigan, G. (ORCID:0000000187965865)","Marzocchi, B. (ORCID:0000000166876214)","Morse, D. M. (ORCID:0000000331632169)","Nguyen, V. (ORCID:0000000312789208)","Orimoto, T. (ORCID:0000000283883341)","Parker, A. (ORCID:0000000294213335)","Skinnari, L. (ORCID:0000000220196755)","Tishelman-Charny, A. (ORCID:0000000273325098)","Wamorkar, T. (ORCID:0000000155515456)","Wang, B. (ORCID:0000000307962475)","Wisecarver, A. (ORCID:0009000416082001)","Wood, D. (ORCID:000000026477801X)","Bhattacharya, S. (ORCID:0000000205266161)","Bueghly, J.","Chen, Z. (ORCID:0000000345216086)","Gilbert, A. (ORCID:0000000175605790)","Hahn, K. A. (ORCID:0000000178921676)","Liu, Y. (ORCID:0000000255881760)","Odell, N. (ORCID:0000000171550665)","Schmitt, M. H. (ORCID:0000000308143578)","Velasco, M.","Band, R. (ORCID:0000000348730523)","Bucci, R.","Cremonesi, M.","Das, A. (ORCID:0000000191159698)","Goldouzian, R. (ORCID:000000020295249X)","Hildreth, M. (ORCID:0000000244543934)","Hurtado Anampa, K. (ORCID:0000000297793566)","Jessop, C. (ORCID:0000000268853611)","Lannon, K. (ORCID:0000000297060098)","Lawrence, J. (ORCID:0000000163267210)","Loukas, N. (ORCID:0000000300496918)","Lutton, L. (ORCID:0000000232124505)","Mariano, J.","Marinelli, N.","Mcalister, I.","McCauley, T. (ORCID:0000000165898286)","Mcgrady, C. (ORCID:0000000288212045)","Mohrman, K. (ORCID:0009000729400496)","Moore, C. (ORCID:0000000281404183)","Musienko, Y. (ORCID:0009000635451938)","Ruchti, R. (ORCID:0000000231511386)","Townsend, A. (ORCID:000000023696689X)","Wayne, M. (ORCID:0000000182046157)","Yockey, H.","Zarucki, M. (ORCID:0000000315105772)","Zygala, L. (ORCID:0000000196657282)","Bylsma, B.","Carrigan, M. (ORCID:0000000305385854)","Durkin, L. S. (ORCID:0000000204771051)","Francis, B. (ORCID:0000000214146583)","Hill, C. (ORCID:0000000300590779)","Joyce, M. (ORCID:0000000311125880)","Lesauvage, A. (ORCID:0000000334377845)","Nunez Ornelas, M. (ORCID:0000000326637379)","Wei, K.","Winer, B. L. (ORCID:0000000199804698)","Yates, B. R. (ORCID:0000000173661318)","Addesa, F. M. (ORCID:0000000304845804)","Das, P. (ORCID:0000000297701377)","Dezoort, G. (ORCID:0000000258900445)","Elmer, P. (ORCID:0000000168303356)","Frankenthal, A. (ORCID:0000000225835982)","Greenberg, B. (ORCID:0000000249221934)","Haubrich, N. (ORCID:0000000276258169)","Higginbotham, S. (ORCID:0000000244365461)","Kalogeropoulos, A. (ORCID:0000000334440314)","Kopp, G. (ORCID:0000000181600208)","Kwan, S. (ORCID:0000000253087707)","Lange, D. (ORCID:0000000290865184)","Marlow, D. (ORCID:0000000263951079)","Mei, K. (ORCID:0000000320572025)","Ojalvo, I. (ORCID:0000000314556272)","Olsen, J. (ORCID:0000000293615762)","Stickland, D. (ORCID:0000000347028820)","Tully, C. (ORCID:0000000167712174)","Malik, S. (ORCID:0000000263562655)","Norberg, S.","Bakshi, A. S. (ORCID:0000000228576883)","Barnes, V. E. (ORCID:0000000169393445)","Chawla, R. (ORCID:0000000348026819)","Das, S. (ORCID:0000000167019265)","Gutay, L.","Jones, M. (ORCID:0000000299514583)","Jung, A. W. (ORCID:0000000330683212)","Kondratyev, D. (ORCID:0000000278742480)","Koshy, A. M.","Liu, M. (ORCID:000000019012395X)","Negro, G. (ORCID:0000000214182154)","Neumeister, N. (ORCID:0000000323561700)","Paspalaki, G. (ORCID:0000000168151065)","Piperov, S. (ORCID:0000000292667819)","Purohit, A. (ORCID:000000030881612X)","Schulte, J. F. (ORCID:000000034421680X)","Stojanovic, M. (ORCID:0000000215420855)","Thieman, J. (ORCID:0000000176846588)","Wang, F. (ORCID:0000000283130809)","Xiao, R. (ORCID:0000000172928527)","Xie, W. (ORCID:0000000314309191)","Dolen, J. (ORCID:0000000311413823)","Parashar, N. (ORCID:0009000917170413)","Acosta, D. (ORCID:0000000153671738)","Baty, A. (ORCID:0000000153103466)","Carnahan, T. (ORCID:0000000174923201)","Decaro, M.","Dildick, S. (ORCID:0000000305544755)","Ecklund, K. M. (ORCID:0000000269764637)","Fernández Manteca, P. J. (ORCID:0000000325667496)","Freed, S.","Gardner, P.","Geurts, F. J.M. (ORCID:0000000328569090)","Kumar, A. (ORCID:0000000251806595)","Li, W. (ORCID:0000000341363409)","Padley, B. P. (ORCID:0000000235725701)","Redjimi, R.","Rotter, J. (ORCID:0009000940407407)","Shi, W. (ORCID:0000000281029002)","Yang, S. (ORCID:0000000220758631)","Yigitbasi, E. (ORCID:0000000295952623)","Zhang, L.","Zhang, Y. (ORCID:000000026812761X)","Bodek, A. (ORCID:0000000304090341)","de Barbaro, P. (ORCID:0000000255081827)","Demina, R. (ORCID:000000027852167X)","Dulemba, J. L. (ORCID:0000000298427015)","Fallon, C.","Ferbel, T. (ORCID:000000026733131X)","Galanti, M.","Garcia-Bellido, A. (ORCID:0000000214071972)","Hindrichs, O. (ORCID:0000000176405264)","Khukhunaishvili, A. (ORCID:0000000238341316)","Ranken, E. (ORCID:0000000174725029)","Taus, R. (ORCID:0000000251682932)","Van Onsem, G. P. (ORCID:0000000216642337)","Goulianos, K. (ORCID:0000000262309535)","Chiarito, B.","Chou, J. P. (ORCID:000000016315905X)","Gershtein, Y. (ORCID:0000000248715449)","Halkiadakis, E. (ORCID:0000000235847856)","Hart, A. (ORCID:0000000323496582)","Heindl, M. (ORCID:000000022831463X)","Jaroslawski, D. (ORCID:0000000324971242)","Karacheban, O. (ORCID:0000000227853762)","Laflotte, I. (ORCID:0000000273668090)","Lath, A. (ORCID:0000000302289760)","Montalvo, R.","Nash, K.","Osherson, M. (ORCID:0000000297609976)","Routray, H. (ORCID:0000000296944625)","Salur, S. (ORCID:0000000249959285)","Schnetzer, S.","Somalwar, S. (ORCID:0000000288567401)","Stone, R. (ORCID:000000016229695X)","Thayil, S. A. (ORCID:0000000214690335)","Thomas, S.","Wang, H. (ORCID:0000000230270752)","Acharya, H.","Delannoy, A. G. (ORCID:0000000312526213)","Fiorendi, S. (ORCID:0000000332739419)","Holmes, T. (ORCID:0000000239595174)","Nibigira, E. (ORCID:000000015821291X)","Spanier, S. (ORCID:0000000270494646)","Bouhali, O. (ORCID:0000000171397322)","Dalchenko, M. (ORCID:000000020137136X)","Delgado, A. (ORCID:0000000334537204)","Eusebi, R. (ORCID:0000000333226287)","Gilmore, J. (ORCID:0000000199110143)","Huang, T. (ORCID:0000000207935664)","Kamon, T. (ORCID:0000000155657868)","Kim, H. (ORCID:0000000349861728)","Luo, S. (ORCID:0000000331224245)","Malhotra, S.","Mueller, R. (ORCID:0000000267236689)","Overton, D. (ORCID:0009000906488151)","Rathjens, D. (ORCID:0000000284201488)","Safonov, A. (ORCID:0000000194975471)","Akchurin, N. (ORCID:0000000261274350)","Damgov, J. (ORCID:0000000338632567)","Hegde, V. (ORCID:0000000349522873)","Lamichhane, K. (ORCID:0000000301527683)","Lee, S. W. (ORCID:0000000233888339)","Mengke, T.","Muthumuni, S. (ORCID:0000000304326895)","Peltola, T. (ORCID:0000000247324008)","Volobouev, I. (ORCID:0000000220876128)","Whitbeck, A. (ORCID:0000000342245164)","Appelt, E. (ORCID:0000000333894584)","Greene, S.","Gurrola, A. (ORCID:0000000227934052)","Johns, W. (ORCID:0000000152918903)","Melo, A. (ORCID:0000000334738858)","Romeo, F. (ORCID:0000000212976065)","Sheldon, P. (ORCID:0000000315505223)","Tuo, S. (ORCID:0000000161420429)","Velkovska, J. (ORCID:0000000314235241)","Viinikainen, J. (ORCID:0000000325304265)","Cardwell, B. (ORCID:0000000155530891)","Cox, B. (ORCID:0000000337524759)","Cummings, G. (ORCID:0000000280457806)","Hakala, J. (ORCID:0000000195863316)","Hirosky, R. (ORCID:0000000303046330)","Ledovskoy, A. (ORCID:0000000348610943)","Li, A. (ORCID:000000024547116X)","Neu, C. (ORCID:0000000336448627)","Perez Lara, C. E. (ORCID:0000000301998864)","Tannenwald, B. (ORCID:0000000255708095)","Karchin, P. E. (ORCID:0000000312843470)","Poudyal, N. (ORCID:0000000342783464)","Banerjee, S. (ORCID:000000017880922X)","Black, K. (ORCID:0000000173205080)","Bose, T. (ORCID:0000000180265380)","Dasu, S. (ORCID:0000000159939045)","De Bruyn, I. (ORCID:0000000317044360)","Everaerts, P. (ORCID:000000033848324X)","Galloni, C.","He, H. (ORCID:0009000839062037)","Herndon, M. (ORCID:0000000330431090)","Herve, A. (ORCID:0000000219592363)","Koraka, C. K. (ORCID:0000000245489992)","Lanaro, A.","Loeliger, A. (ORCID:0000000250171487)","Loveless, R. (ORCID:0000000225624405)","Madhusudanan Sreekala, J. (ORCID:000000032590763X)","Mallampalli, A. (ORCID:0000000237938516)","Mohammadi, A. (ORCID:000000018152927X)","Mondal, S.","Parida, G. (ORCID:0000000196654575)","Pinna, D.","Savin, A.","Shang, V. (ORCID:0000000214366092)","Sharma, V. (ORCID:0000000312871471)","Smith, W. H. (ORCID:0000000331950909)","Teague, D.","Tsoi, H. F. (ORCID:0000000225502184)","Vetens, W. (ORCID:0000000310581163)","Afanasiev, S. (ORCID:000900068766226X)","Andreev, V. (ORCID:0000000254926920)","Andreev, Yu (ORCID:0000000273979665)","Aushev, T. (ORCID:0000000263477055)","Azarkin, M. (ORCID:0000000274481447)","Azhgirey, I. (ORCID:000000030528341X)","Babaev, A. (ORCID:0000000188763886)","Bayshev, I.","Belyaev, A. (ORCID:0000000316921173)","Blinov, V.","Boos, E. (ORCID:0000000201935073)","Borshch, V. (ORCID:0000000254791982)","Budkouski, D. (ORCID:0000000220291007)","Chekhovsky, V.","Chistov, R. (ORCID:0000000314398390)","Dermenev, A. (ORCID:000000015619376X)","Dimova, T. (ORCID:0000000295600660)","Dremin, I. (ORCID:000000017451247X)","Elumakhov, D.","Epshteyn, V. (ORCID:0000000288636374)","Ershov, A. (ORCID:000000015779142X)","Gavrilov, G. (ORCID:0000000196897999)","Gavrilov, V. (ORCID:0000000296172928)","Gninenko, S. (ORCID:0000000164957619)","Golovtcov, V. (ORCID:0000000205950297)","Golubev, N. (ORCID:0000000295047754)","Golutvin, I. (ORCID:0009000765080215)","Gorbunov, I. (ORCID:0000000337776606)","Gribushin, A. (ORCID:0000000252524645)","Ivanov, Y. (ORCID:0000000151637632)","Kachanov, V. (ORCID:000000023062010X)","Kaminskiy, A. (ORCID:0000000349126678)","Kardapoltsev, L. (ORCID:0009000035019607)","Karjavine, V. (ORCID:0000000253263854)","Karneyeu, A. (ORCID:0000000199831004)","Khein, L.","Kim, V. (ORCID:0000000171612133)","Kirakosyan, M.","Kirpichnikov, D. (ORCID:000000027177077X)","Kirsanov, M. (ORCID:0000000288796538)","Kodolova, O. (ORCID:0000000313424251)","Konstantinov, D. (ORCID:0000000166737273)","Korenkov, V. (ORCID:0000000223427862)","Korotkikh, V.","Kozyrev, A. (ORCID:0000000306849235)","Krasnikov, N. (ORCID:0000000287176492)","Lanev, A. (ORCID:0000000182447321)","Levchenko, P. (ORCID:0000000349130538)","Litomin, A.","Lychkovskaya, N. (ORCID:0000000150849019)","Makarenko, V. (ORCID:0000000284068605)","Malakhov, A. (ORCID:0000000185698409)","Mandrik, P. (ORCID:000000015197046X)","Matveev, V. (ORCID:0000000227455908)","Murzin, V. (ORCID:0000000205544627)","Nikitenko, A. (ORCID:0000000219335383)","Obraztsov, S. (ORCID:0009000111522758)","Oskin, A.","Ovtin, I. (ORCID:0000000225831412)","Palichik, V. (ORCID:0009000803561061)","Parygin, P. (ORCID:0000000167433781)","Perelygin, V. (ORCID:0009000550394874)","Petrov, V.","Petrushanko, S. (ORCID:0000000302109061)","Polikarpov, S. (ORCID:000000016839928X)","Popov, V.","Popova, E. (ORCID:0000000175568969)","Radchenko, O. (ORCID:0000000171169469)","Ryutin, R.","Savina, M. (ORCID:0000000290207384)","Savrin, V. (ORCID:0009000039732485)","Selivanova, D. (ORCID:0000000270319434)","Shalaev, V. (ORCID:0000000228936922)","Shmatov, S. (ORCID:0000000153548350)","Shulha, S. (ORCID:000000024265928X)","Skovpen, Y. (ORCID:0000000233160604)","Slabospitskii, S. (ORCID:0000000181782494)","Smirnov, V. (ORCID:0000000290499196)","Snigirev, A. (ORCID:0000000329526156)","Sobol, A.","Sosnov, D. (ORCID:0000000274528380)","Sulimov, V. (ORCID:0009000986456685)","Tcherniaev, E. (ORCID:0000000236850635)","Terkulov, A. (ORCID:0000000349853226)","Teryaev, O. (ORCID:0000000170029093)","Tlisova, I. (ORCID:0000000315522015)","Toms, M. (ORCID:0000000277033973)","Toropin, A. (ORCID:0000000221064041)","Troshin, S. (ORCID:0000000154931773)","Uvarov, L. (ORCID:0000000276022527)","Uzunian, A. (ORCID:0000000270079020)","Vardanyan, I. (ORCID:0009000525722426)","Vlasov, E. (ORCID:0000000286282090)","Volkov, A.","Vorobyev, A.","Voytishin, N. (ORCID:0000000165906266)","Yuldashev, B. S.","Zarubin, A. (ORCID:0000000219646106)","Zhizhin, I. (ORCID:0000000161719682)","Zhokin, A. (ORCID:0000000171785907)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","73 NUCLEAR PHYSICS AND RADIATION PHYSICS","CMS","pPb","heavy ion","v2","upsilon","flow"],"article_type":"Accepted Manuscript","contributing_org":"CMS Collaboration","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"},{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)","Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 0370-2693","other_identifiers":["Journal ID: ISSN 0370-2693; oai:inspirehep.net:2706679"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2008086"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2008086"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2008086"}]}, {"osti_id":"2305757","title":"Evaluation of Stratocumulus Evolution Under Contrasting Temperature Advections in CESM2 Through a Lagrangian Framework","doi":"10.1029/2023GL106856","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Geophysical Research Letters Journal Volume: 51 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>This study leveraged a Lagrangian framework to examine the evolution of stratocumulus clouds under cold and warm advections (CADV and WADV) in the Community Earth System Model 2 (CESM2) against observations. We found that CESM2 simulates a too rapid decline in low‐cloud fraction (LCF) and cloud liquid water path (CLWP) under CADV conditions, while it better aligns closely with observed LCF under WADV conditions but overestimates the increase in CLWP. Employing an explainable machine learning approach, we found that too rapid decreases in LCF and CLWP under CADV conditions are related to overestimated drying effects induced by sea surface temperature, whereas the substantial increase in CLWP under WADV conditions is associated with the overestimated moistening effects due to free‐tropospheric moisture and surface winds. Our findings suggest that overestimated drying effects of sea surface temperature on cloud properties might be one of crucial causes for the high equilibrium climate sensitivity in CESM2.<\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Geophysical Research Letters","journal_issue":"4","journal_volume":"51","format":"Medium: X","authors":["Zhang, Haipeng [Department of Atmospheric and Oceanic Science University of Maryland College Park MD USA, Earth System Science Interdisciplinary Center University of Maryland College Park MD USA] (ORCID:0000000179646186)","Zheng, Youtong [Department of Earth and Atmospheric Science University of Houston Houston TX USA, Institute of Climate and Atmospheric Science University of Houston Houston TX USA] (ORCID:0000000259617617)","Li, Zhanqing [Department of Atmospheric and Oceanic Science University of Maryland College Park MD USA, Earth System Science Interdisciplinary Center University of Maryland College Park MD USA] (ORCID:000000016737382X)"],"subjects":["54 ENVIRONMENTAL SCIENCES","stratocumulus evolution","cloud simulation","equilibrium climate sensitivity","horizontal temperature advection","explainable machine learning approach"],"article_type":"Published Article","doe_contract_number":"DESC0022919; DE‐SC0024185; SC0022919; SC0024185; AGS-2126098","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"},{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)","Brookhaven National Laboratory (BNL), Upton, NY (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 0094-8276","other_identifiers":["Journal ID: ISSN 0094-8276; e2023GL106856"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305757"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305757"}]}, {"osti_id":"2319233","title":"Generation and validation of comprehensive synthetic weather histories using auto-regressive moving-average models","doi":"10.1016/j.renene.2024.120157","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Renewable Energy; Journal Volume: 224","description":"As energy system design moves to more complex methods of optimization including machine learning there is a significant need for more weather data than is available. One method to solve this is using synthetic data models such as the auto-regressive moving-average (ARMA) model which has been frequently utilized to create such data. This paper looks at extending the ARMA algorithm to generate solar components through the use of clearsky detrending, maintaining vector relationships and by leveraging physical relationships. The method for the creation of entirely synthetic weather data files including key weather variables for energy system analysis is presented. Furthermore, a detailed comparison of energy system simulations utilizing both real and synthetic data is made using NREL’s System Advisor Model. Whilst good agreement is made for the solar variables, and other weather variables, ARMA methods often fail to capture the standard deviation and skew of annual weather distributions. Vector-ARMA is shown to maintain correlations between variables and thus generate data sets that perform similarly in energy system design. Here, it is finally shown that the ARMA method fails to preserve day-today correlations in weather variables and thus over-predicts optimal energy storage by 21% for a residential solar application.","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"Elsevier","journal_name":"Renewable Energy","journal_volume":"224","format":"Medium: ED; Size: Article No. 120157","authors":["Rigby, Aidan [University of Wisconsin-Madison, WI (United States)] (ORCID:0000000195959860)","Baker, Una [University of Wisconsin-Madison, WI (United States)] (ORCID:0000000349746957)","Lindley, Benjamin [University of Wisconsin-Madison, WI (United States)] (ORCID:0000000210157605)","Wagner, Michael [University of Wisconsin-Madison, WI (United States)] (ORCID:0000000321284658)"],"subjects":["Synthetic data generation","Auto-regressive moving-average","Concentrated solar power","Renewable energy","Integrated energy systems"],"article_type":"Accepted Manuscript","doe_contract_number":"NE0008988","orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE)"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE)"],"orgs_research":[{"name":"University of Wisconsin-Madison, WI (United States)"}],"research_orgs":["University of Wisconsin-Madison, WI (United States)"],"journal_issn":"ISSN 0960-1481","other_identifiers":["Journal ID: ISSN 0960-1481"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319233"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319233"}]}, {"osti_id":"2305560","title":"Real-Time Observation of Nanoscale Kink Band Mediated Plasticity in Ion-Irradiated Graphite: An In Situ TEM Study","doi":"10.3390/ma17040895","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Materials Journal Volume: 17 Journal Issue: 4","description":"<p>Graphite IG-110 is a synthetic polycrystalline material used as a neutron moderator in reactors. Graphite is inherently brittle and is known to exhibit a further increase in brittleness due to radiation damage at room temperature. To understand the irradiation effects on pre-existing defects and their overall influence on external load, micropillar compression tests were performed using in situ nanoindentation in the Transmission Electron Microscopy (TEM) for both pristine and ion-irradiated samples. While pristine specimens showed brittle and subsequent catastrophic failure, the 2.8 MeV Au2+ ion (fluence of 4.378 × 1014 cm−2) irradiated specimens sustained extensive plasticity at room temperature without failure. In situ TEM characterization showed nucleation of nanoscale kink band structures at numerous sites, where the localized plasticity appeared to close the defects and cracks while allowing large average strain. We propose that compressive mechanical stress due to dimensional change during ion irradiation transforms buckled basal layers in graphite into kink bands. The externally applied load during the micropillar tests proliferates the nucleation and motion of kink bands to accommodate the large plastic strain. The inherent non-uniformity of graphite microstructure promotes such strain localization, making kink bands the predominant mechanism behind unprecedented toughness in an otherwise brittle material.<\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"MDPI AG","journal_name":"Materials","journal_issue":"4","journal_volume":"17","format":"Medium: X; Size: Article No. 895","authors":["Thomas, Melonie P.","Schoell, Ryan","Al-Mamun, Nahid Sultan","Kuo, Winson (ORCID:0000000328217909)","Watt, John","Windes, William","Hattar, Khalid","Haque, Aman"],"article_type":"Published Article","doe_contract_number":"NE0009129","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1996-1944","other_identifiers":["Journal ID: ISSN 1996-1944; MATEG9; PII: ma17040895"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305560"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305560"}]}, {"osti_id":"2305726","title":"Collective modes of excitation in <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mmultiscripts><mml:mi>Cu<\/mml:mi><mml:mprescripts /><mml:none /><mml:mn>64<\/mml:mn><\/mml:mmultiscripts><\/mml:math>","doi":"10.1103/physrevc.109.024319","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. C; Journal Volume: 109; Journal Issue: 2","description":"Medium and high-spin level sequences in <sup>64<\/sup>Cu were investigated using the complex <sup>26<\/sup>Mg(<sup>48<\/sup>Ca, αp5nγ ) multinucleon transfer reaction. The experiment was performed at the ATLAS accelerator facility at the Argonne National Laboratory using the Gammasphere array and the fragment mass analyzer (FMA). Two high-spin, quasirotational bands consisting of stretched-E2 transitions were observed in coincidence with the known low-spin structure for the first time. These bands share remarkable similarities with highly deformed and/or superdeformed bands observed in the A ≈ 60–70 mass region. In addition, a regular dipole sequence with weak E2 crossover transitions was observed. A general discussion of the observed structures, complemented by theoretical calculations carried out within the framework of the adiabatic and configuration-fixed constrained covariant density functional theory and the quantum particle-rotor model, are presented. Furthermore, the results are interpreted in the context of shell-structure evolution and the collectivity in the mass region.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. C","journal_issue":"2","journal_volume":"109","format":"Medium: ED; Size: Article No. 024319","authors":["Saracino, A. [University of North Carolina, Chapel Hill, NC (United States); Duke University, Durham, NC (United States)] (ORCID:0009000203572429)","Zhu, S. [Brookhaven National Laboratory (BNL), Upton, NY (United States)]","Sensharma, N. [University of North Carolina, Chapel Hill, NC (United States); Duke University, Durham, NC (United States)] (ORCID:0000000250469451)","Ayangeakaa, A. D. [University of North Carolina, Chapel Hill, NC (United States); Duke University, Durham, NC (United States)] (ORCID:0000000316793175)","Janssens, R. V. F. [University of North Carolina, Chapel Hill, NC (United States); Duke University, Durham, NC (United States)] (ORCID:0000000170951715)","Chen, Q. B. [East China Normal University, Shanghai (China)] (ORCID:0000000151594468)","Carpenter, M. P. [Argonne National Laboratory (ANL), Argonne, IL (United States)]","Chowdhury, P. [University of Massachusetts, Lowell, MA (United States)]","Gade, A. [Michigan State University, East Lansing, MI (United States)] (ORCID:0000000188250976)","Kondev, F. G. [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000295675785)","Kowalewski, T. M. [University of North Carolina, Chapel Hill, NC (United States); Duke University, Durham, NC (United States)] (ORCID:0000000174931842)","Lauritsen, T. [Argonne National Laboratory (ANL), Argonne, IL (United States)]","McCutchan, E. A. [Brookhaven National Laboratory (BNL), Upton, NY (United States)]","Seweryniak, D. [Argonne National Laboratory (ANL), Argonne, IL (United States)]"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS","High spin states","Lifetimes & widths","Nuclear structure & decays","Spectroscopy"],"article_type":"Accepted Manuscript","doe_contract_number":"FG02-97ER41041; FG02-97ER41033; SC0023010; AC02-06CH11357; AC02-98CH10886; FG02-08ER41556; SC0020451; FG02-94ER40848; PHY-1565546; 12205103","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"National Science Foundation (NSF)"},{"name":"National Natural Science Foundation of China (NSFC)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","National Science Foundation (NSF)","National Natural Science Foundation of China (NSFC)"],"orgs_research":[{"name":"University of North Carolina, Chapel Hill, NC (United States)"}],"research_orgs":["University of North Carolina, Chapel Hill, NC (United States)"],"journal_issn":"ISSN 2469-9985","other_identifiers":["Journal ID: ISSN 2469-9985"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305726"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305726"}]}, {"osti_id":"2317779","title":"Additive manufacturing of defect-free TiZrNbTa refractory high-entropy alloy with enhanced elastic isotropy via in-situ alloying of elemental powders","doi":"10.1038/s43246-024-00452-0","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Communications Materials; Journal Volume: 5; Journal Issue: 1","description":"Laser powder-bed fusion (L-PBF) additive manufacturing presents ample opportunities to produce net-shape parts. The complex laser-powder interactions result in high cooling rates that often lead to unique microstructures and excellent mechanical properties. Refractory high-entropy alloys show great potential for high-temperature applications but are notoriously difficult to process by additive processes due to their sensitivity to cracking and defects, such as un-melted powders and keyholes. Here, we present a method based on a normalized model-based processing diagram to achieve a nearly defect-free TiZrNbTa alloy via in-situ alloying of elemental powders during L-PBF. Compared to its as-cast counterpart, the as-printed TiZrNbTa exhibits comparable mechanical properties but with enhanced elastic isotropy. This method has good potential for other refractory alloy systems based on in-situ alloying of elemental powders, thereby creating new opportunities to rapidly expand the collection of processable refractory materials via L-PBF.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Springer Nature","journal_name":"Communications Materials","journal_issue":"1","journal_volume":"5","format":"Medium: ED; Size: Article No. 14","authors":["Mooraj, Shahryar [Univ. of Massachusetts, Amherst, MA (United States)]","Kim, George [Illinois Institute of Technology, Chicago, IL (United States)]","Fan, Xuesong [Univ. of Tennessee, Knoxville, TN (United States)]","Samuha, Shmuel [Univ. of California, Berkeley, CA (United States); NRCN, Beer-Sheva (Israel)]","Xie, Yujun [Univ. of California, Berkeley, CA (United States)]","Li, Tianyi [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000262346096)","Tiley, Jaimie S. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Chen, Yan [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000160951754)","Yu, Dunji [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000189467851)","An, Ke [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000026093429X)","Hosemann, Peter [Univ. of California, Berkeley, CA (United States)]","Liaw, Peter K. [Univ. of Tennessee, Knoxville, TN (United States)] (ORCID:0000000301853411)","Chen, Wei [Illinois Institute of Technology, Chicago, IL (United States); State Univ. of New York (SUNY), Buffalo, NY (United States)] (ORCID:0000000211357721)","Chen, Wen [Univ. of Massachusetts, Amherst, MA (United States)] (ORCID:0000000320481107)"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; DMR-2238204; DMR-1945380; OAC-2404816; DMR-1611180; DMR-1809640; DMR-2226508; W911NF-13–1-0438; W911NF-19–2-0049","subjects":[],"orgs_sponsor":[{"name":"USDOE"},{"name":"National Science Foundation (NSF)"},{"name":"US Army Research Office (ARO)"}],"sponsor_orgs":["USDOE","National Science Foundation (NSF)","US Army Research Office (ARO)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)","Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)"],"journal_issn":"ISSN 2662-4443","other_identifiers":["Journal ID: ISSN 2662-4443"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317779"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2317779"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317779"}]}, {"osti_id":"2308751","title":"Fabrication of neutron absorbing metal hydride entrained ceramic matrix shield composites","doi":"10.3389/fnuen.2024.1352667","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Frontiers in Nuclear Engineering; Journal Volume: 3","description":"With significant improvement in High Temperature Superconductors (HTS), several projects are adopting HTS technology for fusion power systems. Compact HTS tokamaks offer potential advantages including lower plant costs, enhanced plasma control, and ultimately lower cost of electricity. However, as compact reactors have a reduced radial build to accommodate shielding, HTS degradation due to radiation damage or heating is a significant and potentially design limiting issue. Shielding must mitigate threats to the superconducting coils: neutron cascade damage, heat deposition and potentially organic insulator damage due x-rays. Unfortunately, there are currently no hi-performance shielding materials to enable the potential performance enhancement offered by HTS. In this work, we present a manufacturing method to fabricate a new class of composite shields that are high performance, high operating temperature, and simultaneously neutron absorbing and neutron moderating. The composite design consists of an entrained metal-hydride phase within a radiation stable MgO ceramic host matrix. We discuss the fabrication, characterization, and thermophysical performance data for a series of down-selected composite materials inspired by future fusion core designs and their operational performance metrics. To our knowledge these materials represent the first ceramic composite shield materials containing significant metal hydrides.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Frontiers Media S.A.","journal_name":"Frontiers in Nuclear Engineering","journal_volume":"3","format":"Medium: ED; Size: Article No. 1352667","authors":["Bhardwaj, Devanshi [Stony Brook Univ., NY (United States)]","Cheng, Bin [Stony Brook Univ., NY (United States)]","Sprouster, David J. [Stony Brook Univ., NY (United States)]","Cunningham, William S. [Stony Brook Univ., NY (United States)]","Rani, Nirmala [Stony Brook Univ., NY (United States)]","Trelewicz, Jason R. [Stony Brook Univ., NY (United States)]","Snead, Lance L. [Stony Brook Univ., NY (United States)]"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","ceramic matrix composite","fusion shield","compact fusion systems","sintering","thermal conductivity"],"article_type":"Accepted Manuscript","doe_contract_number":"AR0001381","orgs_sponsor":[{"name":"USDOE Advanced Research Projects Agency - Energy (ARPA-E)"}],"sponsor_orgs":["USDOE Advanced Research Projects Agency - Energy (ARPA-E)"],"orgs_research":[{"name":"State Univ. of New York (SUNY), Stony Brook, NY (United States)"}],"research_orgs":["State Univ. of New York (SUNY), Stony Brook, NY (United States)"],"journal_issn":"ISSN 2813-3412","other_identifiers":["Journal ID: ISSN 2813-3412; DOE-FOA-0002288"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308751"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2308751"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308751"}]}, {"osti_id":"2305769","title":"Energy-conserving physics for nonhydrostatic dynamics in mass coordinate models","report_number":"SAND-2024-01765J","doi":"10.5194/gmd-17-1429-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Geoscientific Model Development (Online) Journal Volume: 17 Journal Issue: 3","description":"<p>Abstract. Motivated by reducing errors in the energy budget related to enthalpy fluxes within the Energy Exascale Earth System Model (E3SM), we study several physics–dynamics coupling approaches. Using idealized physics, a moist rising bubble test case, and the E3SM\'s nonhydrostatic dynamical core, we consider unapproximated and approximated thermodynamics applied at constant pressure or constant volume. With the standard dynamics and physics time-split implementation, we describe how the constant-pressure and constant-volume approaches use different mechanisms to transform physics tendencies into dynamical motion and show that only the constant-volume approach is consistent with the underlying equations. Using time step convergence studies, we show that the two approaches both converge but to slightly different solutions. We reproduce the large inconsistencies between the energy flux internal to the model and the energy flux of precipitation when using approximate thermodynamics, which can only be removed by considering variable latent heats, both when computing the latent heating from phase change and when applying this heating to update the temperature. Finally, we show that in the nonhydrostatic case, for physics applied at constant pressure, the general relation that enthalpy is locally conserved no longer holds. In this case, the conserved quantity is enthalpy plus an additional term proportional to the difference between hydrostatic pressure and full pressure.<\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Geoscientific Model Development (Online)","journal_issue":"3","journal_volume":"17","format":"Medium: X; Size: p. 1429-1442","authors":["Guba, Oksana (ORCID:0000000172427001)","Taylor, Mark A. (ORCID:0000000292672554)","Bosler, Peter A.","Eldred, Christopher","Lauritzen, Peter H."],"subjects":["58 GEOSCIENCES"],"article_type":"Published Article","doe_contract_number":"SciDAC 4 ASCR/BER Partnership Pilot Project; NA0003525","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 1991-9603","other_identifiers":["Journal ID: ISSN 1991-9603"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305769"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305769"}]}, {"osti_id":"2311218","title":"Long-term follow-up observations of extreme coronal line emitting galaxies","doi":"10.1093/mnras/stae460","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 528 Journal Issue: 4","description":"<title>ABSTRACT<\/title>\n <p>We present new spectroscopic and photometric follow-up observations of the known sample of extreme coronal line-emitting galaxies (ECLEs) identified in the Sloan Digital Sky Survey (SDSS). With these new data, observations of the ECLE sample now span a period of two decades following their initial SDSS detections. We confirm the non-recurrence of the iron coronal line signatures in five of the seven objects, further supporting their identification as the transient light echoes of tidal disruption events (TDEs). Photometric observations of these objects in optical bands show little overall evolution. In contrast, mid-infrared (MIR) observations show ongoing long-term declines consistent with power-law decay. The remaining two objects had been classified as active galactic nuclei (AGNs) with unusually strong coronal lines rather than being TDE related, given the persistence of the coronal lines in earlier follow-up spectra. We confirm this classification, with our spectra continuing to show the presence of strong, unchanged coronal line features and AGN-like MIR colours and behaviour. We have constructed spectral templates of both subtypes of ECLE to aid in distinguishing the likely origin of newly discovered ECLEs. We highlight the need for higher cadence, and more rapid, follow-up observations of such objects to better constrain their properties and evolution. We also discuss the relationships between ECLEs, TDEs, and other identified transients having significant MIR variability.<\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"4","journal_volume":"528","format":"Medium: X; Size: p. 7076-7102","authors":["Clark, Peter (ORCID:0000000265767400)","Graur, Or (ORCID:0000000243916137)","Callow, Joseph (ORCID:0000000208049533)","Aguilar, Jessica","Ahlen, Steven (ORCID:0000000160987247)","Anderson, Joseph P. (ORCID:0000000302273451)","Berger, Edo (ORCID:0000000293929681)","Müller-Bravo, Tomás E. (ORCID:0000000339397167)","Brink, Thomas G. (ORCID:0000000159552502)","Brooks, David (ORCID:0000000284585047)","Chen, Ting-Wan (ORCID:0000000210666098)","Claybaugh, Todd (ORCID:0000000250246987)","de la Macorra, Axel (ORCID:0000000217691640)","Doel, Peter (ORCID:0000000263974457)","Filippenko, Alexei V. (ORCID:0000000334600103)","Forero-Romero, Jamie E. (ORCID:0000000228903725)","Gomez, Sebastian (ORCID:0000000163956702)","Gromadzki, Mariusz (ORCID:0000000216501518)","Honscheid, Klaus (ORCID:0000000265502023)","Inserra, Cosimo (ORCID:0000000239684409)","Kisner, Theodore (ORCID:0000000335107134)","Landriau, Martin (ORCID:0000000318388528)","Makrygianni, Lydia (ORCID:0000000274664868)","Manera, Marc (ORCID:0000000349628934)","Meisner, Aaron (ORCID:0000000211257384)","Miquel, Ramon (ORCID:0000000266104836)","Moustakas, John (ORCID:0000000227334559)","Nicholl, Matt (ORCID:0000000225553192)","Nie, Jundan (ORCID:0000000165908122)","Onori, Francesca (ORCID:0000000162861744)","Palmese, Antonella (ORCID:0000000260110530)","Poppett, Claire (ORCID:0000000305125489)","Reynolds, Thomas (ORCID:0000000210226463)","Rezaie, Mehdi (ORCID:0000000155897116)","Rossi, Graziano (ORCID:0000000251025019)","Sanchez, Eusebio (ORCID:0000000296468198)","Schubnell, Michael (ORCID:0000000195042059)","Tarlé, Gregory (ORCID:0000000317040781)","Weaver, Benjamin A.","Wevers, Thomas (ORCID:0000000240439400)","Young, David R. (ORCID:0000000212292499)","Zheng, WeiKang (ORCID:0000000226366508)","Zhou, Zhimin (ORCID:0000000241350977)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311218"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311218"}]}, {"osti_id":"2284090","title":"X-ray chemical imaging for assessing redox microsites within soils and sediments","doi":"10.3389/fenvc.2024.1329887","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Frontiers in Environmental Chemistry; Journal Volume: 5","description":"Redox reactions underlie several biogeochemical processes and are typically spatiotemporally heterogeneous in soils and sediments. However, redox heterogeneity has yet to be incorporated into mainstream conceptualizations and modeling of soil biogeochemistry. Anoxic microsites, a defining feature of soil redox heterogeneity, are non-majority oxygen depleted zones in otherwise oxic environments. Neglecting to account for anoxic microsites can generate major uncertainties in quantitative assessments of greenhouse gas emissions, C sequestration, as well as nutrient and contaminant cycling at the ecosystem to global scales. However, only a few studies have observed/characterized anoxic microsites in undisturbed soils, primarily, because soil is opaque and microsites require µm-cm scale resolution over cm-m scales. Consequently, our current understanding of microsite characteristics does not support model parameterization. To resolve this knowledge gap, we demonstrate through this proof-of-concept study that X-ray fluorescence (XRF) 2D mapping can reliably detect, quantify, and provide basic redox characterization of anoxic microsites using solid phase “forensic” evidence. First, we tested and developed a systematic data processing approach to eliminate false positive redox microsites, i.e., artefacts, detected from synchrotron-based multiple-energy XRF 2D mapping of Fe (as a proxy of redox-sensitive elements) in Fe-“rich” sediment cores with artificially injected microsites. Then, spatial distribution of Fe<sup>II<\/sup> and Fe<sup>III<\/sup> species from full, natural soil core slices (over cm-m lengths/widths) were mapped at 1–100 µm resolution. These investigations revealed direct evidence of anoxic microsites in predominantly oxic soils such as from an oak savanna and toeslope soil of a mountainous watershed, where anaerobicity would typically not be expected. We also revealed preferential spatial distribution of redox microsites inside aggregates from oak savanna soils. We anticipate that this approach will advance our understanding of soil biogeochemistry and help resolve “anomalous” occurrences of reduced products in nominally oxic soils.","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"Frontiers Media S.A.","journal_name":"Frontiers in Environmental Chemistry","journal_volume":"5","format":"Medium: ED; Size: p. 1-14","authors":["Noel, Vincent [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL)]","Boye, Kristen [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL)]","Naughton, Hannah R. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]","Lacroix, Emiley M. [Stanford University, CA (United States); University of Lausanne (Switzerland)]","Aeppli, Meret [Stanford University, CA (United States); Ecole Polytechnique Federale Lausanne (EPFL) (Switzerland). Centre de Recherche en Physique des Plasma (CRPP)]","Kumar, Naresh [Wageningen University (Netherlands)]","Fendorf, Scott [Stanford University, CA (United States)]","Webb, Samuel M. [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL)]"],"subjects":["54 ENVIRONMENTAL SCIENCES","37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","x-ray imaging","redox","heterogeneities","iron cycling","chemical imaging"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-76SF00515; P30GM133894","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Institutes of Health (NIH)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Institutes of Health (NIH)"],"orgs_research":[{"name":"SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)"}],"research_orgs":["SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)"],"journal_issn":"ISSN 2673-4486","other_identifiers":["Journal ID: ISSN 2673-4486"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284090"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2284090"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284090"}]}, {"osti_id":"2305765","title":"Predicting Thermochemical Equilibria with Interacting Defects:\n <math display=\'inline\' overflow=\'scroll\'>\n <msub>\n <mi>Sr<\/mi>\n <mrow>\n <mn>1<\/mn>\n <mo>−<\/mo>\n <mi>x<\/mi>\n <\/mrow>\n <\/msub>\n <msub>\n <mi>Ce<\/mi>\n <mi>x<\/mi>\n <\/msub>\n <msub>\n <mrow>\n <mi>Mn<\/mi>\n <mi mathvariant=\'normal\'>O<\/mi>\n <\/mrow>\n <mrow>\n <mn>3<\/mn>\n <mo>−<\/mo>\n <mi>δ<\/mi>\n <\/mrow>\n <\/msub>\n <\/math>\n Alloys for Water Splitting","report_number":"NREL/JA-5K00-87302","doi":"10.1103/PRXEnergy.3.013008","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: PRX Energy Journal Volume: 3 Journal Issue: 1","description":"Solar thermochemical hydrogen is one of the few potential routes towards direct fuel production from renewable energy sources, but the thermodynamic boundary conditions for efficient and economic energy conversion are challenging. Success or failure of a given oxide working material depends on the subtle balance between enthalpy and entropy contributions in the redox processes. Developing a mechanistic understanding of the behavior of materials on the basis of atomistic models and first-principles calculations is an important part of advancing the technology. One challenge is to quantitatively predict thermochemical equilibria at high concentrations when the redox-active defects start to interact with each other, thereby impeding the formation of additional defects. This problem is of more general importance to applications that rely on high levels of off-stoichiometry or doping, including, for example, batteries, thermoelectrics, and ceramic fuel cells. To account for such repulsive defect interactions, we introduce a statistical mechanics approach, defining an expression for the free energy of defect interaction based on limited sampling of defect configurations in density functional theory supercell calculations. The parameterization of this energy contribution as a function of defect concentration and temperature allows on-the-fly simulation of thermochemical equilibria. The approach consistently incorporates finite temperature effects by including the leading contributions to the temperature-dependent free energy for the case at hand, i.e., the ideal gas and configurational enthalpies and entropies. We demonstrate the capability and utility of the approach by simulating the water splitting redox processes for Sr<sub>1-x<\/sub>Ce<sub>x<\/sub>MnO<sub>3-δ<\/sub> alloys.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"American Physical Society","journal_name":"PRX Energy","journal_issue":"1","journal_volume":"3","format":"Medium: X","authors":["Goyal, Anuj (ORCID:0000000159919562)","Sanders, Michael D. (ORCID:0000000163665219)","O’Hayre, Ryan P. (ORCID:0000000337623052)","Lany, Stephan (ORCID:0000000281278885)"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY","08 HYDROGEN","defect equilibria","density functional theory","solar thermochemical hydrogen"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO)"}],"sponsor_orgs":["USDOE","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 2768-5608","other_identifiers":["Journal ID: ISSN 2768-5608; 013008"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305765"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305765"}]}, {"osti_id":"2318742","title":"The Dynamic Assimilation Technique measures photosynthetic CO2 response curves with similar fidelity to steady-state approaches in half the time","doi":"10.1093/jxb/erae057","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Experimental Botany","description":"<title>Abstract<\/title>\n <p>The net CO2 assimilation (A) response to intercellular CO2 concentration (Ci) is a fundamental measurement in photosynthesis and plant physiology research. The conventional A/Ci protocols rely on steady-state measurements and take 15–40 min per measurement, limiting data resolution or biological replication. Additionally, there are several CO2 protocols employed across the literature, without clear consensus as to the optimal protocol or systematic biases in their estimations. We compared the non-steady-state Dynamic Assimilation Technique (DAT) protocol and the three most used CO2 protocols in steady-state measurements, and tested whether different CO2 protocols lead to systematic differences in estimations of the biochemical limitations to photosynthesis. The DAT protocol reduced the measurement time by almost half without compromising estimation accuracy or precision. The monotonic protocol was the fastest steady-state method. Estimations of biochemical limitations to photosynthesis were very consistent across all CO2 protocols, with slight differences in Rubisco carboxylation limitation. The A/Ci curves were not affected by the direction of the change of CO2 concentration but rather the time spent under triose phosphate utilization (TPU)-limited conditions. Our results suggest that the maximum rate of Rubisco carboxylation (Vcmax), linear electron flow for NADPH supply (J), and TPU measured using different protocols within the literature are comparable, or at least not systematically different based on the measurement protocol used.<\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Oxford University Press","journal_name":"Journal of Experimental Botany","format":"Medium: X","authors":["Tejera-Nieves, Mauricio (ORCID:0000000316980501)","Seong, Do Young","Reist, Lucas (ORCID:0000000239905582)","Walker, Berkley J. (ORCID:0000000159326468)","Rogers, ed., Alistair"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-0957","other_identifiers":["Journal ID: ISSN 0022-0957; erae057"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318742"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318742"}]}, {"osti_id":"2311076","title":"Emergent Ferromagnetism in CaRuO<sub>3<\/sub>/CaMnO<sub>3<\/sub> (111)-Oriented Superlattices","report_number":"IS-J-11,269","doi":"10.1021/acs.nanolett.3c04623","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nano Letters","description":"The boundary between CaRuO<sub>3<\/sub> and CaMnO<sub>3<\/sub> is an ideal test bed for emergent magnetic ground states stabilized through interfacial electron interactions. In this system, nominally antiferromagnetic and paramagnetic materials combine to yield interfacial ferromagnetism in CaMnO<sub>3<\/sub> due to electron leakage across the interface. In this work, we show that the crystal symmetry at the surface is a critical factor determining the nature of the interfacial interactions. Specifically, by growing CaRuO<sub>3<\/sub>/CaMnO<sub>3<\/sub> heterostructures along the (111) instead of the (001) crystallographic axis, we achieve a 3-fold enhancement of the magnetization and involve the CaRuO<sub>3<\/sub> layers in the ferromagnetism, which now spans both constituent materials. Importantly, the stabilization of a net magnetic moment in CaRuO<sub>3<\/sub> through strain effects has been long-sought but never consistently achieved, and our observations demonstrate the importance of interface engineering in the development of new functional heterostructures.","publication_date":"2024-02-17T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"American Chemical Society","journal_name":"Nano Letters","format":"Medium: ED","authors":["Kane, Margaret [Stanford Univ., CA (United States). Geballe Lab. for Advanced Materials] (ORCID:0000000332592031)","Bhandari, Churna [Ames Lab., and Iowa State Univ., Ames, IA (United States)] (ORCID:0000000243800732)","Holtz, Megan E. [Colorado School of Mines, Golden, CO (United States)]","Balakrishnan, Purnima Parvathy [National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)] (ORCID:000000021426669X)","Grutter, Alexander J. [National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)] (ORCID:0000000268767625)","Fitzsimmons, Michael [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Yang, Chao-Yao [National Yang Ming Chiao Tung University, Hsinchu City (Taiwan)]","Satpathy, Sashi [Univ. of Missouri, Columbia, MO (United States)]","Paudyal, Durga [Ames Lab., and Iowa State Univ., Ames, IA (United States)]","Suzuki, Yuri [Stanford Univ., CA (United States). Geballe Lab. for Advanced Materials] (ORCID:0000000268834293)"],"subjects":["emergent magnetism","complex oxides","superlattices","ruthenatess","manganites"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0008505; AC02-07CH11358; EECS1542152; DGE-1656518","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1530-6984","other_identifiers":["Journal ID: ISSN 1530-6984"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311076"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311076"}]}, {"osti_id":"2309679","title":"Gut enterotype-dependent modulation of gut microbiota and their metabolism in response to xanthohumol supplementation in healthy adults","report_number":"PNNL-SA-194929","doi":"10.1080/19490976.2024.2315633","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Gut Microbes; Journal Volume: 16; Journal Issue: 1","description":"Xanthohumol (XN), a polyphenol found in the hop plant (Humulus lupulus), has antioxidant, anti-inflammatory, prebiotic, and anti-hyperlipidemic activity. Preclinical evidence suggests the gut microbiome is essential in mediating these bioactivities; however, relatively little is known about XN’s impact on human gut microbiota in vivo. We conducted a randomized, triple-blinded, placebo-controlled clinical trial (ClinicalTrials.gov NCT03735420) to determine safety and tolerability of XN in healthy adults. Thirty healthy participants were randomized to 24 mg/day XN or placebo for 8 weeks. As secondary outcomes, quantification of bacterial metabolites and 16S rRNA gene sequencing were utilized to explore the relationships between XN supplementation, gut microbiota, and biomarkers of gut health. Although XN did not significantly change gut microbiota composition, it did re-shape individual taxa in an enterotype-dependent manner. High levels of inter-individual variation in metabolic profiles and bioavailability of XN metabolites were observed. Moreover, reductions in microbiota-derived bile acid metabolism were observed, which were enterotype-dependent. These results suggest interactions between XN and gut microbiota in healthy adults are highly inter-individualized and potentially indicate that XN elicits effects on gut health in an enterotype-dependent manner.","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Taylor & Francis","journal_name":"Gut Microbes","journal_issue":"1","journal_volume":"16","format":"Medium: ED; Size: Article No. 2315633","authors":["Jamieson, Paige E. [Oregon State Univ., Corvallis, OR (United States)] (ORCID:0009000614928063)","Smart, Eli B. [Oregon State Univ., Corvallis, OR (United States)]","Bouranis, John A. [Oregon State Univ., Corvallis, OR (United States)] (ORCID:0000000255337570)","Choi, Jaewoo [Oregon State Univ., Corvallis, OR (United States)] (ORCID:0000000163763089)","Danczak, Robert E. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:000000031396192X)","Wong, Carmen P. [Oregon State Univ., Corvallis, OR (United States)] (ORCID:0000000182942584)","Paraiso, Ines L. [Oregon State Univ., Corvallis, OR (United States)] (ORCID:0000000187966702)","Maier, Claudia S. [Oregon State Univ., Corvallis, OR (United States)] (ORCID:0000000307438956)","Ho, Emily [Oregon State Univ., Corvallis, OR (United States)] (ORCID:0000000276872820)","Sharpton, Thomas J. [Oregon State Univ., Corvallis, OR (United States)] (ORCID:0000000259967764)","Metz, Thomas O. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000160493968)","Bradley, Ryan [National University of Natural Medicine, Portland, OR (United States). Helfgott Research Institute; Univ. of California, San Diego, CA (United States)] (ORCID:0000000280733671)","Stevens, Jan F. [Oregon State Univ., Corvallis, OR (United States); National University of Natural Medicine, Portland, OR (United States). Helfgott Research Institute] (ORCID:0000000263489347)"],"subjects":["59 BASIC BIOLOGICAL SCIENCES","Gut microbiota","enterotypes","phytochemical","polyphenol","microbial metabolism","precision medicine"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; R01AT010271; S10RR022589; S10OD026922","orgs_sponsor":[{"name":"USDOE"},{"name":"National Institutes of Health (NIH)"}],"sponsor_orgs":["USDOE","National Institutes of Health (NIH)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 1949-0976","other_identifiers":["Journal ID: ISSN 1949-0976"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309679"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2309679"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309679"}]}, {"osti_id":"2305563","title":"Building an ab initio solvated DNA model using Euclidean neural networks","report_number":"SAND-2024-01974J","doi":"10.1371/journal.pone.0297502","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: PLoS ONE Journal Volume: 19 Journal Issue: 2","description":"<p>\n Accurately modeling large biomolecules such as DNA from first principles is fundamentally challenging due to the steep computational scaling of\n <italic>ab initio<\/italic>\n quantum chemistry methods. This limitation becomes even more prominent when modeling biomolecules in solution due to the need to include large numbers of solvent molecules. We present a machine-learned electron density model based on a Euclidean neural network framework that includes a built-in understanding of equivariance to model explicitly solvated double-stranded DNA. By training the machine learning model using molecular fragments that sample the key DNA and solvent interactions, we show that the model predicts electron densities of arbitrary systems of solvated DNA accurately, resolves polarization effects that are neglected by classical force fields, and captures the physics of the DNA-solvent interaction at the\n <italic>ab initio<\/italic>\n level.\n <\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"Public Library of Science (PLoS)","journal_name":"PLoS ONE","journal_issue":"2","journal_volume":"19","format":"Medium: X; Size: Article No. e0297502","authors":["Lee, Alex J.","Rackers, Joshua A. (ORCID:000000028874018X)","Pathak, Shivesh","Bricker, William P. (ORCID:0000000197240905)","Dubey, ed., Kshatresh Dutta"],"subjects":["59 BASIC BIOLOGICAL SCIENCES"],"article_type":"Published Article","doe_contract_number":"LDRD ACORN under OSP number A21-0245; NA0003525","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"National Science Foundation (NSF)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program","National Science Foundation (NSF)","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 1932-6203","other_identifiers":["Journal ID: ISSN 1932-6203; 10.1371/journal.pone.0297502"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305563"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305563"}]}, {"osti_id":"2282239","title":"Obstructed swelling and fracture of hydrogels","doi":"10.1039/D3SM01470C","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Soft Matter Journal Volume: 20 Journal Issue: 7","description":"<p>When swelling hydrogels encounter obstacles, they either expand around the obstacles or fracture, depending on obstacle geometry.<\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Soft Matter","journal_issue":"7","journal_volume":"20","format":"Medium: X; Size: p. 1425-1437","authors":["Plummer, Abigail [Princeton Center for Complex Materials, Princeton University, Princeton, NJ 08540, USA] (ORCID:0000000349184050)","Adkins, Caroline [Department of Civil and Environmental Engineering, Princeton University, Princeton, NJ 08544, USA] (ORCID:0009000987364627)","Louf, Jean-François [Department of Chemical and Biological Engineering, Princeton University, Princeton, NJ 08544, USA, Department of Chemical Engineering, Auburn University, Auburn, AL 36849, USA] (ORCID:0000000319714209)","Košmrlj, Andrej [Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544, USA, Princeton Materials Institute, Princeton University, Princeton, NJ 08544, USA] (ORCID:0000000161379200)","Datta, Sujit S. [Department of Chemical and Biological Engineering, Princeton University, Princeton, NJ 08544, USA] (ORCID:0000000324001561)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1744-683X","other_identifiers":["Journal ID: ISSN 1744-683X; SMOABF"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282239"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282239"}]}, {"osti_id":"2305562","title":"Crystal-chemical origins of the ultrahigh conductivity of metallic delafossites","doi":"10.1038/s41467-024-45239-6","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Despite their highly anisotropic complex-oxidic nature, certain delafossite compounds (\n <italic>e.g<\/italic>\n ., PdCoO\n <sub>2<\/sub>\n , PtCoO\n <sub>2<\/sub>\n ) are the most conductive oxides known, for reasons that remain poorly understood. Their room-temperature conductivity can exceed that of Au, while their low-temperature electronic mean-free-paths reach an astonishing 20 μm. It is widely accepted that these materials must be ultrapure to achieve this, although the methods for their growth (which produce only small crystals) are not typically capable of such. Here, we report a different approach to PdCoO\n <sub>2<\/sub>\n crystal growth, using chemical vapor transport methods to achieve order-of-magnitude gains in size, the highest structural qualities yet reported, and record residual resistivity ratios ( > 440). Nevertheless, detailed mass spectrometry measurements on these materials reveal that they are not ultrapure in a general sense, typically harboring 100s-of-parts-per-million impurity levels. Through quantitative crystal-chemical analyses, we resolve this apparent dichotomy, showing that the vast majority of impurities are forced to reside in the Co-O octahedral layers, leaving the conductive Pd sheets highly pure (∼1 ppm impurity concentrations). These purities are shown to be in quantitative agreement with measured residual resistivities. We thus conclude that a sublattice purification mechanism is essential to the ultrahigh low-temperature conductivity and mean-free-path of metallic delafossites.\n <\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Zhang, Yi (ORCID:0009000005327051)","Tutt, Fred (ORCID:0000000243911360)","Evans, Guy N.","Sharma, Prachi (ORCID:0000000205978783)","Haugstad, Greg","Kaiser, Ben","Ramberger, Justin (ORCID:0009000591313233)","Bayliff, Samuel (ORCID:0000000259802820)","Tao, Yu (ORCID:0000000159979143)","Manno, Mike (ORCID:0000000330589883)","Garcia-Barriocanal, Javier","Chaturvedi, Vipul (ORCID:0000000161214756)","Fernandes, Rafael M. (ORCID:0000000235845180)","Birol, Turan (ORCID:0000000151743320)","Seyfried, Jr., William E.","Leighton, Chris (ORCID:0000000324920816)"],"article_type":"Published Article","doe_contract_number":"SC0016371","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1399; PII: 45239"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305562"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305562"}]}, {"osti_id":"2305574","title":"Important Role of Ion Flux Regulated by Separators in Lithium Metal Batteries","doi":"10.1002/adma.202311312","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Materials","description":"<title>Abstract<\/title>\n <p>Polyolefin separators are the most common separators used in rechargeable lithium (Li)‐ion batteries. However, the influence of different polyolefin separators on the performance of Li metal batteries (LMBs) has not been well studied. By performing particle injection simulations on the reconstructed three‐dimensional pores of different polyethylene separators, it is revealed that the pore structure of the separator has a significant impact on the ion flux distribution, the Li deposition behavior, and consequently, the cycle life of LMBs. It is also discovered that the homogeneity factor of Li‐ion toward Li metal electrode is positively correlated to the longevity and reproducibility of LMBs. This work not only emphasizes the importance of the pore structure of polyolefin separators but also provides an economic and effective method to screen favorable separators for LMBs.<\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Materials","format":"Medium: X","authors":["Jia, Hao [Energy and Environment Directorate Pacific Northwest National Laboratory Richland WA 99354 USA] (ORCID:0000000328145589)","Zeng, Chao [Physical and Computational Sciences Directorate Pacific Northwest National Laboratory Richland WA 99354 USA]","Lim, Hyung‐Seok [Energy and Environment Directorate Pacific Northwest National Laboratory Richland WA 99354 USA]","Simmons, Ashley [Applied Materials Division Argonne National Laboratory Lemont IL 60439 USA]","Zhang, Yuepeng [Applied Materials Division Argonne National Laboratory Lemont IL 60439 USA] (ORCID:0000000265202880)","Weber, Marc H. [Institute of Materials Research Washington State University Pullman WA 99164 USA] (ORCID:0000000342045875)","Engelhard, Mark H. [Energy and Environment Directorate Pacific Northwest National Laboratory Richland WA 99354 USA] (ORCID:0000000255430812)","Gao, Peiyuan [Physical and Computational Sciences Directorate Pacific Northwest National Laboratory Richland WA 99354 USA] (ORCID:0000000229066551)","Niu, Chaojiang [Energy and Environment Directorate Pacific Northwest National Laboratory Richland WA 99354 USA] (ORCID:0000000180849933)","Xu, Zhijie [Physical and Computational Sciences Directorate Pacific Northwest National Laboratory Richland WA 99354 USA] (ORCID:0000000304594531)","Zhang, Ji‐Guang [Energy and Environment Directorate Pacific Northwest National Laboratory Richland WA 99354 USA] (ORCID:0000000173434609)","Xu, Wu [Energy and Environment Directorate Pacific Northwest National Laboratory Richland WA 99354 USA] (ORCID:0000000226858684)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0935-9648","other_identifiers":["Journal ID: ISSN 0935-9648; 2311312"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305574"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305574"}]}, {"osti_id":"2319077","title":"Fundamental physics with ESPRESSO: a new determination of the D/H ratio towards PKS1937-101","doi":"10.1093/mnras/stae452","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 529 Journal Issue: 2","description":"<title>ABSTRACT<\/title>\n <p>Primordial abundances of light elements are sensitive to the physics of the early Universe and can directly constrain cosmological quantities, such as the baryon-to-photon ratio $\\eta _{10}$, the baryon density, and the number of neutrino families. Deuterium is especially suited for these studies: its primordial abundance is sensitive and monotonically dependent on $\\eta _{10}$, allowing an independent measurement of the cosmic baryon density that can be compared, for instance, against the Planck satellite data. The primordial deuterium abundance can be measured in high H i column density absorption systems towards distant quasars. We report here a new measurement, based on high-resolution ESPRESSO data, of the primordial D i abundance of a system at redshift $z \\sim 3.572$, towards PKS1937-101. Using only ESPRESSO data, we find a D /H ratio of $2.638\\pm 10^{-5}$, while including the available UVES data improves the precision, leading to a ratio of $2.608 \\pm 10^{-5}$. The results of this analysis agree with those of the most precise existing measurements. We find that the relatively low column density of this system ($\\log {N_{\\rm H_I}/ {\\rm cm}^{-2}}\\sim 18$) introduces modelling uncertainties, which become the main contributor to the error budget.<\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"2","journal_volume":"529","format":"Medium: X; Size: p. 839-854","authors":["Guarneri, Francesco (ORCID:0000000347409762)","Pasquini, Luca","D’Odorico, Valentina (ORCID:0000000336933091)","Cristiani, Stefano (ORCID:0000000221155234)","Cupani, Guido (ORCID:0000000268309093)","Marcantonio, Paolo Di (ORCID:0000000331682289)","Hernández, J. I. González","Martins, C. J. A. P. (ORCID:0000000248869261)","Mascareño, Alejandro Suárez (ORCID:0000000238145323)","Milaković, Dinko","Molaro, Paolo (ORCID:0000000205714163)","Murphy, Michael T. (ORCID:0000000270405498)","Nunes, Nelson J.","Palle, Enric","Pepe, Francesco","Rebolo, Rafael","Santos, Nuno C.","Santos, Ricardo Génova","Schmidt, Tobias M.","Sousa, Sérgio G. (ORCID:0000000190472965)","Sozzetti, Alessandro (ORCID:000000027504365X)","Trost, Andrea"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE), Nuclear Fuel Cycle and Supply Chain"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE), Nuclear Fuel Cycle and Supply Chain"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319077"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319077"}]}, {"osti_id":"2305575","title":"Process modeling guides operational variables that affect\n <scp>\n CO\n <sub>2<\/sub>\n <\/scp>\n utilization during the accelerated carbonation of concrete","doi":"10.1002/aic.18387","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: AIChE Journal","description":"<title>Abstract<\/title>\n <p>\n Accelerated concrete carbonation is an expanding option for decarbonizing construction. Factors such as concrete mixture design and carbonation environment can influence the maximum CO\n <sub>2<\/sub>\n utilization that can be achieved during such a process. A carbonation process designed to utilize a water‐saturated dilute CO\n <sub>2<\/sub>\n source wherein 2 < CO\n <sub>2<\/sub>\n concentration (v/v%) < 16, was modeled in AspenPlus©. A regression model was developed to correlate CO\n <sub>2<\/sub>\n uptake, relative humidity (11%–100%), CO\n <sub>2<\/sub>\n concentration ([CO\n <sub>2<\/sub>\n ] = 2—16 v/v%), and temperature (\n <italic>T<\/italic>\n = 11–74°C) conditions within a carbonation reactor. It was determined that [CO\n <sub>2<\/sub>\n ] was the most significant variable as higher concentrations enhanced CO\n <sub>2<\/sub>\n transport through the concrete. The energy use intensity per mass of CO\n <sub>2<\/sub>\n utilized (kWh/kgCO\n <sub>2<\/sub>\n ) was determined across a range of processing conditions. As a function of the operational conditions, accelerated carbonation provides a net CO\n <sub>2<\/sub>\n reduction of up to 28 kgCO\n <sub>2<\/sub>\n /tonne of concrete; a reduction of up to ~45% compared to typical formulations.\n <\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"AIChE Journal","format":"Medium: X","authors":["Prentice, Dale P. [Laboratory for the Chemistry of Construction Materials (LC<sup>2<\/sup>), Department of Civil and Environmental Engineering University of California Los Angeles California USA, Institute for Carbon Management (ICM) University of California Los Angeles California USA] (ORCID:0000000249808751)","AlShareedah, Othman [Laboratory for the Chemistry of Construction Materials (LC<sup>2<\/sup>), Department of Civil and Environmental Engineering University of California Los Angeles California USA, Institute for Carbon Management (ICM) University of California Los Angeles California USA]","Sarkar, Manas [Laboratory for the Chemistry of Construction Materials (LC<sup>2<\/sup>), Department of Civil and Environmental Engineering University of California Los Angeles California USA, Institute for Carbon Management (ICM) University of California Los Angeles California USA]","Arabit, Jenny [Laboratory for the Chemistry of Construction Materials (LC<sup>2<\/sup>), Department of Civil and Environmental Engineering University of California Los Angeles California USA, Institute for Carbon Management (ICM) University of California Los Angeles California USA]","Mehdipour, Iman [CarbonBuilt Inc. Los Angeles California USA]","Afzal, Shaik [GTI Energy Des Plaines Illinois USA]","Luo, Junwei [Department of Chemical and Biomolecular Engineering University of California Los Angeles California USA]","Abdullah, Fahim [Department of Chemical and Biomolecular Engineering University of California Los Angeles California USA]","Yun, Sungil [Department of Chemical and Biomolecular Engineering University of California Los Angeles California USA]","Christofides, Panagiotis D. [Department of Chemical and Biomolecular Engineering University of California Los Angeles California USA] (ORCID:0000000287724348)","Simonetti, Dante [Institute for Carbon Management (ICM) University of California Los Angeles California USA, Department of Chemical and Biomolecular Engineering University of California Los Angeles California USA] (ORCID:000000025708460X)","Sant, Gaurav [Laboratory for the Chemistry of Construction Materials (LC<sup>2<\/sup>), Department of Civil and Environmental Engineering University of California Los Angeles California USA, Institute for Carbon Management (ICM) University of California Los Angeles California USA, Department of Materials Science and Engineering University of California Los Angeles California USA, California Nanosystems Institute (CNSI) University of California Los Angeles California USA]"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0001-1541","other_identifiers":["Journal ID: ISSN 0001-1541; e18387"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305575"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305575"}]}, {"osti_id":"2323360","title":"Spatially resolved microlensing time-scale distributions across the Galactic bulge with the VVV survey","doi":"10.1093/mnras/stae445","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 529 Journal Issue: 2","description":"<title>ABSTRACT<\/title>\n <p>We analyse 1602 microlensing events found in the VISTA Variables in the Via Lactea (VVV) near-infrared (NIR) survey data. We obtain spatially resolved, efficiency-corrected time-scale distributions across the Galactic bulge (|ℓ| < 10°, |b| < 5°), using a Bayesian hierarchical model. Spatially resolved peaks and means of the time-scale distributions, along with their marginal distributions in strips of longitude and latitude, are in agreement at a 1σ level with predictions based on the Besançon model of the Galaxy. We find that the event time-scales in the central bulge fields (|ℓ| < 5°) are on average shorter than the non-central (|ℓ| > 5°) fields, with the average peak of the lognormal time-scale distribution at 23.6 ± 1.9 d for the central fields and 29.0 ± 3.0 d for the non-central fields. Our ability to probe the structure of the bulge with this sample of NIR microlensing events is limited by the VVV survey’s sparse cadence and relatively small number of detected microlensing events compared to dedicated optical surveys. Looking forward to future surveys, we investigate the capability of the Roman telescope to detect spatially resolved asymmetries in the time-scale distributions. We propose two pairs of Roman fields, centred on (ℓ = ±9, 5°, b = −0.125°) and (ℓ = −5°, b = ±1.375°) as good targets to measure the asymmetry in longitude and latitude, respectively.<\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"2","journal_volume":"529","format":"Medium: X; Size: p. 1308-1320","authors":["Kaczmarek, Zofia","McGill, Peter (ORCID:0000000210526749)","Evans, N. Wyn","Smith, Leigh C.","Golovich, Nathan","Kerins, Eamonn (ORCID:0000000217434468)","Specht, David (ORCID:0000000254012176)","Dawson, William A."],"article_type":"Published Article","doe_contract_number":"AC52-07NA27344","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323360"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323360"}]}, {"osti_id":"2305439","title":"Ripples in the bottom of the potential energy landscape of metallic glass","doi":"10.1038/s41467-024-45640-1","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n In the absence of periodicity, the structure of glass is ill-defined, and a large number of structural states are found at similar energy levels. However, little is known about how these states are connected to each other in the potential energy landscape. We simulate mechanical relaxation by molecular dynamics for a prototypical\n <inline-formula>\n <alternatives>\n <tex-math>$${{{\\rm{C}}}}{{{{\\rm{u}}}}}_{64.5}{{{\\rm{Z}}}}{{{{\\rm{r}}}}}_{35.5}$$<\/tex-math>\n <math>\n <mi>C<\/mi>\n <msub>\n <mrow>\n <mi>u<\/mi>\n <\/mrow>\n <mrow>\n <mn>64.5<\/mn>\n <\/mrow>\n <\/msub>\n <mi>Z<\/mi>\n <msub>\n <mrow>\n <mi>r<\/mi>\n <\/mrow>\n <mrow>\n <mn>35.5<\/mn>\n <\/mrow>\n <\/msub>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n metallic glass and follow the mechanical energy loss of each atom to track the change in the state. We find that the energy barriers separating these states are remarkably low, only of the order of 1 meV, implying that even quantum fluctuations can overcome these potential energy barriers. Our observation of numerous small ripples in the bottom of the potential energy landscape puts many assumptions regarding the thermodynamic states of metallic glasses into question and suggests that metallic glasses are not totally frozen at the local atomic level.\n <\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Zella, Leo","Moon, Jaeyun (ORCID:0000000177766889)","Egami, Takeshi (ORCID:0000000211260276)"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725; AC02-05CH11231; BES-ERCAP0017758","subjects":[],"orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)"],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1358; PII: 45640"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305439"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305439"}]}, {"osti_id":"2281280","title":"Nanoscale water–polymer interactions tune macroscopic diffusivity of water in aqueous poly(ethylene oxide) solutions","doi":"10.1039/D3SC05377F","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Chemical Science Journal Volume: 15 Journal Issue: 7","description":"<p>PEO restructures water near the polymer, reducing free volume and slowing local water.<\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Chemical Science","journal_issue":"7","journal_volume":"15","format":"Medium: X; Size: p. 2495-2508","authors":["Moon, Joshua D. [Materials Department, University of California, Santa Barbara, California 93106, USA, Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA]","Webber, Thomas R. [Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA] (ORCID:0000000158129438)","Brown, Dennis Robinson [Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA] (ORCID:000000029598406X)","Richardson, Peter M. [Materials Department, University of California, Santa Barbara, California 93106, USA] (ORCID:0000000266312459)","Casey, Thomas M. [Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106, USA]","Segalman, Rachel A. [Materials Department, University of California, Santa Barbara, California 93106, USA, Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA]","Shell, M. Scott [Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA]","Han, Songi [Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA, Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106, USA]"],"article_type":"Published Article","doe_contract_number":"SC0019272","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-6520","other_identifiers":["Journal ID: ISSN 2041-6520; CSHCBM"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281280"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281280"}]}, {"osti_id":"2316134","title":"Strategies for Designing Biocatalysts with New Functions","report_number":"NREL/JA-2800-87187","doi":"10.1039/D3CS00972F","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Chemical Society Reviews","description":"The engineering of natural enzymes has led to the availability of a broad range of biocatalysts that can be used for the sustainable manufacturing of a variety of chemicals and pharmaceuticals. However, for many important chemical transformations there are no known enzymes that can serve as starting templates for biocatalyst development. These limitations have fuelled efforts to build entirely new catalytic sites into proteins in order to generate enzymes with functions beyond those found in Nature. This bottom-up approach to enzyme development can also reveal new fundamental insights into the molecular origins of efficient protein catalysis. In this tutorial review, we will survey the different strategies that have been explored for designing new protein catalysts. These methods will be illustrated through key selected examples, which demonstrate how highly proficient and selective biocatalysts can be developed through experimental protein engineering and/or computational design. Given the rapid pace of development in the field, we are optimistic that designer enzymes will begin to play an increasingly prominent role as industrial biocatalysts in the coming years.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","journal_name":"Chemical Society Reviews","format":"Medium: X","authors":["Bell, Elizabeth L.","Hutton, Amy E.","Burke, Ashleigh J.","O\'Connell, Adam","Barry, Amber","O\'Reilly, Elaine","Green, Anthony P."],"subjects":["BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","biocatalyst","directed evolution","enzyme engineering"],"article_type":"","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office","USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"other_identifiers":["MainId:87962;UUID:72241692-6e9b-4e71-b6c6-8d6335b702b4;MainAdminId:71966"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316134"}]}, {"osti_id":"1998901","title":"Artificial Intelligence for the Electron Ion Collider (AI4EIC)","report_number":"FERMILAB-CONF-23-407-AD; arXiv:2307.08593","doi":"10.1007/s41781-024-00113-4","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Computing and Software for Big Science; Journal Volume: 8; Journal Issue: 1","description":"The Electron-Ion Collider (EIC), a state-of-the-art facility for studying the strong force, is expected to begin commissioning its first experiments in 2028. This is an opportune time for artificial intelligence (AI) to be included from the start at this facility and in all phases that lead up to the experiments. The second annual workshop organized by the AI4EIC working group, which recently took place, centered on exploring all current and prospective application areas of AI for the EIC. This workshop is not only beneficial for the EIC, but also provides valuable insights for the newly established ePIC collaboration at EIC. This paper summarizes the different activities and R&D projects covered across the sessions of the workshop and provides an overview of the goals, approaches and strategies regarding AI/ML in the EIC community, as well as cutting-edge techniques currently studied in other experiments.","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Springer","journal_name":"Computing and Software for Big Science","journal_issue":"1","journal_volume":"8","format":"Medium: ED; Size: Article No. 5 (2024)","authors":["Allaire, C. [Université Paris-Saclay, Orsay (France); ePIC Collaboration.et al.]","Ammendola, R.","Aschenauer, E. -C.","Balandat, M.","Battaglieri, M.","Bernauer, J.","Bondì, M.","Branson, N.","Britton, T.","Butter, A.","Chahrour, I.","Chatagnon, P.","Cisbani, E.","Cline, E. W.","Dash, S.","Dean, C.","Deconinck, W.","Deshpande, A.","Diefenthaler, M.","Ent, R.","Fanelli, C.","Finger, M.","Finger, M.","Fol, E.","Furletov, S.","Gao, Y.","Giroux, J.","Waduge, N. Gunawardhana","Hassan, O.","Hegde, P. L.","Hernández-Pinto, R. J.","Blin, A. Hiller","Horn, T.","Huang, J.","Jalotra, A.","Jayakodige, D.","Joo, B.","Junaid, M.","Kalantarians, N.","Karande, P.","Kriesten, B.","Elayavalli, R. Kunnawalkam","Li, Y.","Lin, M.","Liu, F.","Liuti, S.","Matousek, G.","McEneaney, M.","McSpadden, D.","Menzo, T.","Miceli, T.","Mikuni, V.","Montgomery, R.","Nachman, B.","Nair, R. R.","Niestroy, J.","Oregon, S. Ochoa","Oleniacz, J.","Osborn, J. D.","Paudel, C.","Pecar, C.","Peng, C.","Perdue, G. N.","Phelps, W.","Purschke, M. L.","Rajendran, H.","Rajput, K.","Ren, Y.","Renteria-Estrada, D. F.","Richford, D.","Roy, B. J.","Roy, D.","Saini, A.","Sato, N.","Satogata, T.","Sborlini, G.","Schram, M.","Shih, D.","Singh, J.","Singh, R.","Siodmok, A.","Stevens, J.","Stone, P.","Suarez, L.","Suresh, K.","Tawfik, A. -N.","Acosta, F. Torales","Tran, N.","Trotta, R.","Twagirayezu, F. J.","Tyson, R.","Volkova, S.","Vossen, A.","Walter, E.","Whiteson, D.","Williams, M.","Wu, S.","Zachariou, N.","Zurita, P."],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS","43 PARTICLE ACCELERATORS","72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","artificial Intelligence","deep learning","EIC","ePIC","machine learning","QCD","physics"],"article_type":"Accepted Manuscript","contributing_org":"ePIC Collaboration","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"},{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"},{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"},{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"},{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"},{"name":"SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)","Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)","Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)","Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)","Brookhaven National Laboratory (BNL), Upton, NY (United States)","SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2510-2036","other_identifiers":["Journal ID: ISSN 2510-2036; oai:inspirehep.net:2677604"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/1998901"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/1998901"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/1998901"}]}, {"osti_id":"2315666","title":"Enhanced Production of <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:msubsup><mml:mi mathvariant=\"normal\">Λ<\/mml:mi><mml:mi>b<\/mml:mi><mml:mn>0<\/mml:mn><\/mml:msubsup><\/mml:math> Baryons in High-Multiplicity <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mi>p<\/mml:mi><mml:mi>p<\/mml:mi><\/mml:math> Collisions at <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:msqrt><mml:mi>s<\/mml:mi><\/mml:msqrt><mml:mo>=<\/mml:mo><mml:mn>13<\/mml:mn><mml:mtext> <\/mml:mtext><mml:mtext> <\/mml:mtext><mml:mi>TeV<\/mml:mi><\/mml:math>","report_number":"LA-UR-24-20502","doi":"10.1103/physrevlett.132.081901","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters; Journal Volume: 132; Journal Issue: 8","description":"The production rate of $Λ^{0}_{b}$ baryons relative to $B$<sup>0<\/sup> mesons in $pp$ collisions at a center-of-mass energy $\\sqrt{s}$ = $13$ $TeV$ is measured by the LHCb experiment. The ratio of $Λ^{0}_{b}$ to $B$<sup>0<\/sup> production cross sections shows a significant dependence on both the transverse momentum and the measured charged-particle multiplicity. At low multiplicity, the ratio measured at LHCb is consistent with the value measured in e<sup>+<\/sup>e<sup>-<\/sup> collisions, and increases by a factor of ~ 2 with increasing multiplicity. At relatively low transverse momentum, the ratio of $Λ^{0}_{b}$ to $B$<sup>0<\/sup> cross sections is higher than what is measured in e<sup>+<\/sup>e<sup>-<\/sup> collisions, but converges with the e<sup>+<\/sup>e<sup>-<\/sup> ratio as the momentum increases. These results imply that the evolution of heavy $b$ quarks into final-state hadrons is influenced by the density of the hadronic environment produced in the collision. Comparisons with several models and implications for the mechanisms enforcing quark confinement are discussed.","publication_date":"2024-02-20T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review Letters","journal_issue":"8","journal_volume":"132","format":"Medium: ED; Size: Article No. 081901","authors":["Aaij, R. (ORCID:0000000305331952)","Abdelmotteleb, A. S. W. (ORCID:0000000179050542)","Abellan Beteta, C.","Abudinén, F. (ORCID:0000000267373528)","Ackernley, T. (ORCID:0000000259513498)","Adeva, B. (ORCID:0000000197563712)","Adinolfi, M. (ORCID:0000000213261264)","Adlarson, P. (ORCID:0000000162803851)","Agapopoulou, C. (ORCID:0000000223680147)","Aidala, C. A. (ORCID:0000000195404988)","Ajaltouni, Z.","Akar, S. (ORCID:0000000302889694)","Akiba, K. (ORCID:000000026736471X)","Albicocco, P. (ORCID:0000000164301038)","Albrecht, J. (ORCID:0000000186361621)","Alessio, F. (ORCID:0000000153171098)","Alexander, M. (ORCID:0000000281482392)","Alfonso Albero, A. (ORCID:0000000160250675)","Aliouche, Z. (ORCID:0000000307558413)","Alvarez Cartelle, P. (ORCID:0000000316522834)","Amalric, R. (ORCID:0000000345952729)","Amato, S. (ORCID:0000000232770662)","Amey, J. L. (ORCID:0000000225973808)","Amhis, Y. (ORCID:0000000342821512)","An, L. (ORCID:0000000232745627)","Anderlini, L. (ORCID:0000000168082418)","Andersson, M. (ORCID:0000000335949163)","Andreianov, A. (ORCID:0000000262730506)","Andreola, P. (ORCID:000000023923431X)","Andreotti, M. (ORCID:0000000329181311)","Andreou, D. (ORCID:0000000162880558)","Anelli, A. A. (ORCID:000000026191934X)","Ao, D. (ORCID:0000000316474238)","Archilli, F. (ORCID:0000000217796813)","Argenton, M. (ORCID:0009000631690077)","Arguedas Cuendis, S. (ORCID:0000000342347005)","Artamonov, A. (ORCID:0000000227852233)","Artuso, M. (ORCID:0000000259917273)","Aslanides, E. (ORCID:000000033286683X)","Atzeni, M. (ORCID:0000000232083336)","Audurier, B. (ORCID:0000000190904254)","Bacher, D. (ORCID:000000021249367X)","Bachiller Perea, I. (ORCID:0000000237214876)","Bachmann, S. (ORCID:0000000211863894)","Bachmayer, M. (ORCID:0000000159962747)","Back, J. J. (ORCID:0000000177914490)","Bailly-reyre, A.","Baladron Rodriguez, P. (ORCID:0000000342402094)","Balagura, V. (ORCID:0000000216117188)","Baldini, W. (ORCID:0000000176588777)","Baptista de Souza Leite, J. (ORCID:0000000244425372)","Barbetti, M. (ORCID:0000000267046914)","Barbosa, I. R. (ORCID:0000000232268672)","Barlow, R. J. (ORCID:0000000282958612)","Barsuk, S. (ORCID:0000000208986551)","Barter, W. (ORCID:0000000292644799)","Bartolini, M. (ORCID:0000000284795802)","Baryshnikov, F. (ORCID:0000000264186428)","Basels, J. M. (ORCID:0000000158608770)","Bassi, G. (ORCID:0000000221453805)","Batsukh, B. (ORCID:0000000310202549)","Battig, A. (ORCID:000900016252960X)","Bay, A. (ORCID:0000000248629399)","Beck, A. (ORCID:0000000348721213)","Becker, M. (ORCID:0000000279728760)","Bedeschi, F. (ORCID:0000000283152119)","Bediaga, I. B. (ORCID:0000000178065283)","Beiter, A.","Belin, S. (ORCID:0000000154553768)","Bellee, V. (ORCID:0000000153140953)","Belous, K. (ORCID:0000000300142589)","Belov, I. (ORCID:0000000316999202)","Belyaev, I. (ORCID:0000000274587030)","Benane, G. (ORCID:0000000281768315)","Bencivenni, G. (ORCID:0000000251070610)","Ben-Haim, E. (ORCID:0000000295108414)","Berezhnoy, A. (ORCID:0000000244317582)","Berkey, J. L. M. (ORCID:0000000167186733)","Bernet, R. (ORCID:0000000248568063)","Bernet Andres, S. (ORCID:0000000245157541)","Bernstein, H. C.","Bertella, C. (ORCID:000000023160147X)","Bertolin, A. (ORCID:0000000150126013)","Betancourt, C. (ORCID:0000000198867427)","Betti, F. (ORCID:000000022395235X)","Bex, J. (ORCID:0000000228568074)","Bezshyiko, Ia (ORCID:0000000243156414)","Bhom, J. (ORCID:000000029709903X)","Bieker, M. S. (ORCID:0000000171137862)","Biesuz, N. V. (ORCID:0000000330040946)","Billoir, P. (ORCID:0000000154339876)","Biolchini, A. (ORCID:0000000160649993)","Birch, M. (ORCID:0000000191574461)","Bishop, F. C. R. (ORCID:0000000200233897)","Bitadze, A. (ORCID:0000000179791092)","Bizzeti, A. (ORCID:0000000157295530)","Blago, M. P. (ORCID:0000000175422388)","Blake, T. (ORCID:0000000202595891)","Blanc, F. (ORCID:0000000157753132)","Blank, J. E. (ORCID:0000000265465605)","Blusk, S. (ORCID:000000019170684X)","Bobulska, D. (ORCID:0000000230039980)","Bocharnikov, V. (ORCID:0000000310487732)","Boelhauve, J. A. (ORCID:0000000235439959)","Boente Garcia, O. (ORCID:0000000302618085)","Boettcher, T. (ORCID:0000000224399955)","Bohare, A. (ORCID:0000000310778046)","Boldyrev, A. (ORCID:0000000278726819)","Bolognani, C. S. (ORCID:0000000337526789)","Bolzonella, R. (ORCID:0000000200550577)","Bondar, N. (ORCID:0000000327149879)","Borgato, F. (ORCID:0000000231496710)","Borghi, S. (ORCID:0000000151351511)","Borsato, M. (ORCID:0000000157602924)","Borsuk, J. T. (ORCID:0000000290659030)","Bouchiba, S. A. (ORCID:0000000200446470)","Bowcock, T. J. V. (ORCID:0000000235056915)","Boyer, A. (ORCID:0000000299090186)","Bozzi, C. (ORCID:0000000167823982)","Bradley, M. J.","Braun, S. (ORCID:0000000244891314)","Brea Rodriguez, A. (ORCID:000000015650445X)","Breer, N. (ORCID:0000000303073662)","Brodzicka, J. (ORCID:0000000285560597)","Brossa Gonzalo, A. (ORCID:0000000244421048)","Brown, J. (ORCID:0000000198469672)","Brundu, D. (ORCID:0000000344575896)","Buonaura, A. (ORCID:0000000349076463)","Buonincontri, L. (ORCID:000000021480454X)","Burke, A. T. (ORCID:0000000302430517)","Burr, C. (ORCID:0000000251551094)","Bursche, A.","Butkevich, A. (ORCID:0000000195421411)","Butter, J. S. (ORCID:000000021816536X)","Buytaert, J. (ORCID:0000000279586790)","Byczynski, W. (ORCID:0009000801873395)","Cadeddu, S. (ORCID:000000027763500X)","Cai, H.","Calabrese, R. (ORCID:0000000213545400)","Calefice, L. (ORCID:0000000164011583)","Cali, S. (ORCID:0000000190560711)","Calvi, M. (ORCID:0000000287971357)","Calvo Gomez, M. (ORCID:0000000155881448)","Cambon Bouzas, J. (ORCID:0000000229523118)","Campana, P. (ORCID:0000000182331951)","Campora Perez, D. H. (ORCID:0000000189989975)","Campoverde Quezada, A. F. (ORCID:0000000319681216)","Capelli, S. (ORCID:0000000284444498)","Capriotti, L. (ORCID:0000000348990587)","Caravaca-Mora, R. (ORCID:0000000180100447)","Carbone, A. (ORCID:0000000270452243)","Carcedo Salgado, L. (ORCID:0000000331013528)","Cardinale, R. (ORCID:0000000278357638)","Cardini, A. (ORCID:0000000266490298)","Carniti, P. (ORCID:0000000278202732)","Carus, L.","Casais Vidal, A. (ORCID:0000000304692588)","Caspary, R. (ORCID:0000000214491619)","Casse, G. (ORCID:000000028516237X)","Castro Godinez, J. (ORCID:0000000348084904)","Cattaneo, M. (ORCID:000000017707169X)","Cavallero, G. (ORCID:0000000283427047)","Cavallini, V. (ORCID:000000017601129X)","Celani, S. (ORCID:0000000347157622)","Cerasoli, J. (ORCID:000000019777881X)","Cervenkov, D. (ORCID:000000021865741X)","Cesare, S. (ORCID:0000000308867111)","Chadwick, A. J. (ORCID:0000000335379404)","Chahrour, I. (ORCID:0000000214720987)","Charles, M. (ORCID:000000034795498X)","Charpentier, Ph (ORCID:0000000192958635)","Chavez Barajas, C. A. (ORCID:0000000246028661)","Chefdeville, M. (ORCID:0000000265536493)","Chen, C. (ORCID:0000000234005489)","Chen, S. (ORCID:0000000286471828)","Chernov, A. (ORCID:0000000302326808)","Chernyshenko, S. (ORCID:0000000225466080)","Chobanova, V. (ORCID:0000000213536002)","Cholak, S. (ORCID:0000000180914766)","Chrzaszcz, M. (ORCID:0000000179018710)","Chubykin, A. (ORCID:0000000310619643)","Chulikov, V. (ORCID:0000000277679117)","Ciambrone, P. (ORCID:0000000302539846)","Cicala, M. F. (ORCID:0000000306785809)","Cid Vidal, X. (ORCID:000000020468541X)","Ciezarek, G. (ORCID:0000000310028368)","Cifra, P. (ORCID:0000000330687029)","Clarke, P. E. L. (ORCID:0000000337460732)","Clemencic, M. (ORCID:0000000317106824)","Cliff, H. V. (ORCID:0000000305310916)","Closier, J. (ORCID:0000000202289130)","Cobbledick, J. L. (ORCID:0000000251469605)","Cocha Toapaxi, C. (ORCID:0000000158128611)","Coco, V. (ORCID:0000000253106808)","Cogan, J. (ORCID:0000000171947566)","Cogneras, E. (ORCID:0000000289339427)","Cojocariu, L. (ORCID:0000000212815923)","Collins, P. (ORCID:0000000327409765)","Colombo, T. (ORCID:0000000296179687)","Comerma-Montells, A. (ORCID:0000000289806048)","Congedo, L. (ORCID:0000000345364644)","Contu, A. (ORCID:0000000235452969)","Cooke, N. (ORCID:0000000241793700)","Corredoira, I. (ORCID:0000000260890899)","Correia, A. (ORCID:0000000264838596)","Corti, G. (ORCID:0000000328574471)","Cottee Meldrum, J. J.","Couturier, B. (ORCID:0000000167491033)","Craik, D. C. (ORCID:0000000236841560)","Cruz Torres, M. (ORCID:000000032607131X)","Currie, R. (ORCID:0000000201669529)","Da Silva, C. L. (ORCID:0000000341068258)","Dadabaev, S. (ORCID:0000000200933244)","Dai, L. (ORCID:0000000240704729)","Dai, X. (ORCID:0000000333957151)","Dall’Occo, E. (ORCID:0000000193134021)","Dalseno, J. (ORCID:0000000332884683)","D’Ambrosio, C. (ORCID:0000000343449994)","Daniel, J. (ORCID:0000000290224264)","Danilina, A. (ORCID:0000000331212164)","d’Argent, P. (ORCID:0000000323808355)","Davidson, A. (ORCID:0009000206472028)","Davies, J. E. (ORCID:0000000253828683)","Davis, A. (ORCID:0000000194585115)","De Aguiar Francisco, O. (ORCID:000000032735678X)","De Angelis, C.","de Boer, J. (ORCID:0000000260844294)","De Bruyn, K. (ORCID:0000000206154399)","De Capua, S. (ORCID:0000000262859596)","De Cian, M. (ORCID:0000000212689621)","De Freitas Carneiro Da Graca, U. (ORCID:0000000304514028)","De Lucia, E. (ORCID:0000000307930844)","De Miranda, J. M. (ORCID:0009000325057337)","De Paula, L. (ORCID:0000000249847734)","De Serio, M. (ORCID:0000000349157933)","De Simone, D. (ORCID:0000000181804366)","De Simone, P. (ORCID:0000000193922079)","De Vellis, F. (ORCID:0000000175965091)","de Vries, J. A. (ORCID:0000000347129816)","Debernardis, F. (ORCID:0009000153834899)","Decamp, D. (ORCID:0000000196436762)","Dedu, V. (ORCID:0000000156728672)","Del Buono, L. (ORCID:0000000347742194)","Delaney, B. (ORCID:0009000763718035)","Dembinski, H. -P. (ORCID:0000000333373850)","Deng, J. (ORCID:0000000243953616)","Denysenko, V. (ORCID:0000000204555404)","Deschamps, O. (ORCID:0000000270476042)","Dettori, F. (ORCID:0000000302568663)","Dey, B. (ORCID:0000000245635806)","Di Nezza, P. (ORCID:0000000348946762)","Diachkov, I. (ORCID:0000000152225293)","Didenko, S. (ORCID:0000000156715863)","Ding, S. (ORCID:000000025946581X)","Dobishuk, V. (ORCID:0000000190043255)","Docheva, A. D. (ORCID:0000000276804043)","Dolmatov, A.","Dong, C. (ORCID:0000000332596323)","Donohoe, A. M. (ORCID:0000000244383950)","Dordei, F. (ORCID:0000000225715067)","dos Reis, A. C. (ORCID:0000000175178418)","Douglas, L.","Downes, A. G. (ORCID:000000030217762X)","Duan, W. (ORCID:0000000317659939)","Duda, P. (ORCID:0000000340437963)","Dudek, M. W. (ORCID:0000000339393262)","Dufour, L. (ORCID:0000000239242774)","Duk, V. (ORCID:0000000164400087)","Durante, P. (ORCID:0000000212042270)","Duras, M. M. (ORCID:0000000241535293)","Durham, John Matthew (ORCID:0000000258313398)","Dutta, D. (ORCID:0000000211913978)","Dziurda, A. (ORCID:0000000343387156)","Dzyuba, A. (ORCID:0000000336123195)","Easo, S. (ORCID:0000000240277333)","Eckstein, E.","Egede, U. (ORCID:0000000154930762)","Egorychev, A. (ORCID:0000000155558982)","Egorychev, V. (ORCID:000000022539673X)","Eirea Orro, C.","Eisenhardt, S. (ORCID:0000000248606779)","Ejopu, E. (ORCID:0000000337117547)","Ek-In, S. (ORCID:0000000222326760)","Eklund, L. (ORCID:0000000220143864)","Elashri, M. (ORCID:000000019398953X)","Ellbracht, J. (ORCID:0000000312316347)","Ely, S. (ORCID:0000000316183617)","Ene, A. (ORCID:0000000155130927)","Epple, E. (ORCID:0000000263123740)","Escher, S. (ORCID:0009000725404203)","Eschle, J. (ORCID:0000000273123699)","Esen, S. (ORCID:0000000324378078)","Evans, T. (ORCID:0000000330161879)","Fabiano, F. (ORCID:0000000169159923)","Falcao, L. N. (ORCID:000000033441583X)","Fan, Y. (ORCID:000000023153430X)","Fang, B. (ORCID:0000000300303813)","Fantini, L. (ORCID:0000000223513998)","Faria, M. (ORCID:0000000246754209)","Farmer, K. (ORCID:0000000323642877)","Fazzini, D. (ORCID:0000000259384286)","Felkowski, L. (ORCID:000000020196910X)","Feng, M. (ORCID:0000000263085078)","Feo, M. (ORCID:0000000152662442)","Fernandez Gomez, M. (ORCID:0000000319844759)","Fernez, A. D. (ORCID:0000000199006514)","Ferrari, F. (ORCID:0000000237214585)","Ferreira Rodrigues, F. (ORCID:0000000242745583)","Ferreres Sole, S. (ORCID:0000000335717741)","Ferrillo, M. (ORCID:0000000310522198)","Ferro-Luzzi, M. (ORCID:0009000818682165)","Filippov, S. (ORCID:0000000339003914)","Fini, R. A. (ORCID:0000000238213998)","Fiorini, M. (ORCID:0000000165592084)","Firlej, M. (ORCID:0000000210840084)","Fischer, K. M. (ORCID:0009000087009910)","Fitzgerald, D. S. (ORCID:0000000168626876)","Fitzpatrick, C. (ORCID:0000000336740812)","Fiutowski, T. (ORCID:0000000323428854)","Fleuret, F. (ORCID:000000022430782X)","Fontana, M. (ORCID:000000034727831X)","Fontanelli, F. (ORCID:0000000170297178)","Foreman, L. F. (ORCID:0000000227419966)","Forty, R. (ORCID:0000000321037577)","Foulds-Holt, D. (ORCID:000000019921687X)","Franco Sevilla, M. (ORCID:0000000252502948)","Frank, M. (ORCID:000000024625559X)","Franzoso, E. (ORCID:0000000321301593)","Frau, G. (ORCID:000000033160482X)","Frei, C. (ORCID:0000000155015611)","Friday, D. A. (ORCID:0000000194003322)","Frontini, L. (ORCID:0000000211378629)","Fu, J. (ORCID:0000000331772700)","Fuehring, Q. (ORCID:0000000331792525)","Fujii, Y. (ORCID:0000000208133065)","Fulghesu, T. (ORCID:0000000193918619)","Gabriel, E. (ORCID:0000000183005939)","Galati, G. (ORCID:0000000173483312)","Galati, M. D. (ORCID:0000000287164440)","Gallas Torreira, A. (ORCID:0000000227457954)","Galli, D. (ORCID:0000000323756030)","Gambetta, S. (ORCID:0000000324200501)","Gandelman, M. (ORCID:0000000181928377)","Gandini, P. (ORCID:0000000172676008)","Gao, H. (ORCID:0000000260256193)","Gao, R. (ORCID:0009000417827642)","Gao, Y. (ORCID:0000000314840943)","Gao, Y. (ORCID:0000000260698995)","Gao, Y.","Garau, M. (ORCID:0000000205059584)","Garcia Martin, L. M. (ORCID:0000000307148991)","Garcia Moreno, P. (ORCID:0000000236121651)","García Pardiñas, J. (ORCID:0000000323168829)","Garcia Plana, B.","Garg, K. G. (ORCID:0000000285128219)","Garrido, L. (ORCID:0000000188836539)","Gaspar, C. (ORCID:0000000280091509)","Geertsema, R. E. (ORCID:0000000168297777)","Gerken, L. L. (ORCID:0000000267693679)","Gersabeck, E. (ORCID:0000000228606528)","Gersabeck, M. (ORCID:0000000200758669)","Gershon, T. (ORCID:0000000231835065)","Ghorbanimoghaddam, Z.","Giambastiani, L. (ORCID:0000000251700635)","Giasemis, F. I. (ORCID:0000000306221069)","Gibson, V. (ORCID:0000000266611192)","Giemza, H. K. (ORCID:0000000325978796)","Gilman, A. L. (ORCID:0000000159347541)","Giovannetti, M. (ORCID:0000000321359568)","Gioventù, A. (ORCID:000000015399326X)","Gironella Gironell, P. (ORCID:0000000156034750)","Giugliano, C. (ORCID:0000000261594557)","Giza, M. A. (ORCID:0000000208051561)","Gkougkousis, E. L. (ORCID:0000000221322071)","Glaser, F. C. (ORCID:0000000184165416)","Gligorov, V. V. (ORCID:0000000281898267)","Göbel, C. (ORCID:000000030523495X)","Golobardes, E. (ORCID:0000000180800769)","Golubkov, D. (ORCID:0000000162161596)","Golutvin, A. (ORCID:0000000325008247)","Gomes, A. (ORCID:0009000528922968)","Gomez Fernandez, S. (ORCID:0000000230649834)","Goncalves Abrantes, F. (ORCID:000000027318482X)","Goncerz, M. (ORCID:000000029224914X)","Gong, G. (ORCID:0000000278223947)","Gooding, J. A. (ORCID:0000000333539750)","Gorelov, I. V. (ORCID:0000000155700133)","Gotti, C. (ORCID:0000000325019608)","Grabowski, J. P. (ORCID:0000000184618382)","Granado Cardoso, L. A. (ORCID:0000000328682173)","Graugés, E. (ORCID:0000000165714096)","Graverini, E. (ORCID:0000000346476429)","Grazette, L. (ORCID:0000000179074261)","Graziani, G. (ORCID:000000018212846X)","Grecu, A. T. (ORCID:0000000277701839)","Greeven, L. M. (ORCID:0000000158137972)","Grieser, N. A. (ORCID:0000000303864923)","Grillo, L. (ORCID:0000000153600091)","Gromov, S. (ORCID:0000000289673644)","Gu, C. (ORCID:0000000156356063)","Guarise, M. (ORCID:0000000188299681)","Guittiere, M. (ORCID:0000000229167184)","Guliaeva, V. (ORCID:0000000336765040)","Günther, P. A. (ORCID:0000000240574274)","Guseinov, A. -K. (ORCID:0000000251150581)","Gushchin, E. (ORCID:0000000188571665)","Guz, Y. (ORCID:000000017552400X)","Gys, T. (ORCID:0000000268256497)","Hadavizadeh, T. (ORCID:0000000157308434)","Hadjivasiliou, C. (ORCID:0000000222340001)","Haefeli, G. (ORCID:000000029257839X)","Haen, C. (ORCID:0000000249472928)","Haimberger, J. (ORCID:0000000233637783)","Hajheidari, M.","Halewood-leagas, T. (ORCID:0000000196297029)","Halvorsen, M. M. (ORCID:0000000309593853)","Hamilton, P. M. (ORCID:0000000222311374)","Hammerich, J. (ORCID:0000000255561775)","Han, Q. (ORCID:0000000279582917)","Han, X. (ORCID:0000000176417505)","Hansmann-Menzemer, S. (ORCID:0000000238048734)","Hao, L. (ORCID:0000000181624277)","Harnew, N. (ORCID:0000000196166651)","Harrison, T. (ORCID:0000000215769205)","Hartmann, M. (ORCID:0009000587560960)","Hasse, C. (ORCID:0000000296588827)","He, J. (ORCID:0000000214650077)","Heijhoff, K. (ORCID:0000000154077466)","Hemmer, F. (ORCID:0000000181770856)","Henderson, C. (ORCID:0000000269869404)","Henderson, R. D. L. (ORCID:0000000164454907)","Hennequin, A. M. (ORCID:0009000879743785)","Hennessy, K. (ORCID:0000000215298087)","Henry, L. (ORCID:000000033605832X)","Herd, J. (ORCID:0000000178283694)","Heuel, J. (ORCID:0000000193846926)","Hicheur, A. (ORCID:0000000237127318)","Hill, D. (ORCID:0000000326137315)","Hollitt, S. E. (ORCID:0000000249623546)","Horswill, J. (ORCID:0000000291998616)","Hou, R. (ORCID:0000000231393332)","Hou, Y. (ORCID:000000016454278X)","Howarth, N.","Hu, J.","Hu, J. (ORCID:0000000282274544)","Hu, W. (ORCID:0000000228550544)","Hu, X. (ORCID:0000000259242683)","Huang, W. (ORCID:0000000214071729)","Hulsbergen, W. (ORCID:0000000330185707)","Hunter, R. J. (ORCID:0000000178948799)","Hushchyn, M. (ORCID:0000000288946292)","Hutchcroft, D. (ORCID:0000000241746509)","Idzik, M. (ORCID:0000000163490033)","Ilin, D. (ORCID:0000000187713115)","Ilten, P. (ORCID:0000000155341732)","Inglessi, A. (ORCID:0000000225226722)","Iniukhin, A. (ORCID:0000000219406276)","Ishteev, A. (ORCID:0000000314091428)","Ivshin, K. (ORCID:0000000184030706)","Jacobsson, R. (ORCID:0000000349717160)","Jage, H. (ORCID:0000000280963792)","Jaimes Elles, S. J. (ORCID:0000000301828638)","Jakobsen, S. (ORCID:000000026564040X)","Jans, E. (ORCID:0000000254389176)","Jashal, B. K. (ORCID:0000000200254663)","Jawahery, A. (ORCID:000000033719119X)","Jevtic, V. (ORCID:0000000164274746)","Jiang, E. (ORCID:0000000317288525)","Jiang, X. (ORCID:0000000181203296)","Jiang, Y. (ORCID:0000000289645109)","Jiang, Y. J. (ORCID:0000000206568647)","John, M. (ORCID:000000028579844X)","Johnson, D. (ORCID:0000000332726001)","Jones, C. R. (ORCID:0000000316998816)","Jones, T. P. (ORCID:0000000157067255)","Joshi, S. (ORCID:0000000258211674)","Jost, B. (ORCID:0009000540531222)","Jurik, N. (ORCID:0000000260667232)","Juszczak, I. (ORCID:0000000212853911)","Kaminaris, D. (ORCID:0000000289124653)","Kandybei, S. (ORCID:0000000335980427)","Kang, Y. (ORCID:0000000265288178)","Karacson, M. (ORCID:0009000618679674)","Karpenkov, D. (ORCID:0000000186862303)","Karpov, M. (ORCID:0000000345032682)","Kauniskangas, A. M. (ORCID:0000000242858027)","Kautz, J. W. (ORCID:0000000184825576)","Keizer, F. (ORCID:0000000212906737)","Keller, D. M. (ORCID:0000000226081270)","Kenzie, M. (ORCID:0000000179104109)","Ketel, T. (ORCID:0000000296521964)","Khanji, B. (ORCID:000000033838281X)","Kharisova, A. (ORCID:0000000252919583)","Kholodenko, S. (ORCID:0000000202606570)","Khreich, G. (ORCID:0000000265208203)","Kirn, T. (ORCID:0000000202538619)","Kirsebom, V. S. (ORCID:0009000544219025)","Kitouni, O. (ORCID:0000000196958165)","Klaver, S. (ORCID:0000000179091272)","Kleijne, N. (ORCID:0000000308280943)","Klimaszewski, K. (ORCID:0000000222438412)","Kmiec, M. R. (ORCID:0000000218211848)","Koliiev, S. (ORCID:0009000236801224)","Kolk, L. (ORCID:0000000325895130)","Konoplyannikov, A. (ORCID:0009000526458364)","Kopciewicz, P. (ORCID:0000000190923527)","Koppenburg, P. (ORCID:0000000186147203)","Korolev, M. (ORCID:0000000274732031)","Kostiuk, I. (ORCID:0000000287677289)","Kot, O.","Kotriakhova, S. (ORCID:0000000214950053)","Kozachuk, A. (ORCID:0000000168050395)","Kravchenko, P. (ORCID:0000000240362060)","Kravchuk, L. (ORCID:0000000186314200)","Kreps, M. (ORCID:000000026133486X)","Kretzschmar, S. (ORCID:0009000886319552)","Krokovny, P. (ORCID:0000000212364667)","Krupa, W. (ORCID:000000027947465X)","Krzemien, W. (ORCID:000000029546358X)","Kubat, J.","Kubis, S. (ORCID:0000000187748270)","Kucewicz, W. (ORCID:000000022073711X)","Kucharczyk, M. (ORCID:0000000346880050)","Kudryavtsev, V. (ORCID:000900002192995X)","Kulikova, E. (ORCID:0009000280595325)","Kupsc, A. (ORCID:0000000349372270)","Kutsenko, B. K. (ORCID:0000000283661167)","Lacarrere, D. (ORCID:000900056974140X)","Lafferty, G. (ORCID:0000000306584919)","Lai, A. (ORCID:0000000316330496)","Lampis, A. (ORCID:0000000254434870)","Lancierini, D. (ORCID:0000000315874555)","Landesa Gomez, C. (ORCID:0000000152418642)","Lane, J. J. (ORCID:0000000258169488)","Lane, R. (ORCID:0000000223602392)","Langenbruch, C. (ORCID:0000000234547261)","Langer, J. (ORCID:0000000203225550)","Lantwin, O. (ORCID:0000000323845973)","Latham, T. (ORCID:0000000271958537)","Lazzari, F. (ORCID:0000000231513453)","Lazzeroni, C. (ORCID:0000000340744787)","Le Gac, R. (ORCID:0000000275516971)","Lee, S. H. (ORCID:0000000335239479)","Lefèvre, R. (ORCID:0000000269176210)","Leflat, A. (ORCID:0000000196196666)","Legotin, S. (ORCID:0000000331926175)","Lehuraux, M. (ORCID:0000000176007039)","Leroy, O. (ORCID:000000022589240X)","Lesiak, T. (ORCID:0000000239662998)","Leverington, B. (ORCID:0000000166407274)","Li, A. (ORCID:0000000150126013)","Li, H. (ORCID:0000000223669554)","Li, K. (ORCID:0000000222438412)","Li, L. (ORCID:0000000346256880)","Li, P. (ORCID:0000000327409765)","Li, P. -R. (ORCID:0000000216033646)","Li, S. (ORCID:0000000154553768)","Li, T. (ORCID:0000000252412555)","Li, T. (ORCID:0000000257230961)","Li, Y.","Li, Y. (ORCID:0000000320434669)","Li, Z. (ORCID:0000000307558413)","Lian, Z. (ORCID:0000000346026946)","Liang, X. (ORCID:0000000252779103)","Lin, C. (ORCID:0000000175873365)","Lin, T. (ORCID:0000000160528243)","Lindner, R. (ORCID:0000000255416500)","Lisovskyi, V. (ORCID:000000034451214X)","Litvinov, R. (ORCID:000000024234435X)","Liu, G. (ORCID:0000000159616588)","Liu, H. (ORCID:0000000166581993)","Liu, K. (ORCID:0000000345293356)","Liu, Q. (ORCID:0000000346586361)","Liu, S. (ORCID:000000026919227X)","Liu, Y. (ORCID:0000000332579240)","Liu, Y.","Liu, Y. L. (ORCID:0000000196176067)","Lobo Salvia, A. (ORCID:0000000223759509)","Loi, A. (ORCID:0000000341761503)","Lomba Castro, J. (ORCID:0000000318748407)","Long, T. (ORCID:000000017292848X)","Lopes, J. H. (ORCID:0000000311689547)","Lopez Huertas, A. (ORCID:0000000263235582)","López Soliño, S. (ORCID:0000000198925113)","Lovell, G. H. (ORCID:000000029433054X)","Lucarelli, C. (ORCID:0000000281961828)","Lucchesi, D. (ORCID:0000000349377637)","Luchuk, S. (ORCID:0000000236978129)","Lucio Martinez, M. (ORCID:0000000168232607)","Lukashenko, V. (ORCID:0000000206305185)","Luo, Y. (ORCID:0009000187552937)","Lupato, A. (ORCID:0000000303123914)","Luppi, E. (ORCID:0000000210725633)","Lynch, K. (ORCID:0000000270534951)","Lyu, X. -R. (ORCID:0000000156899578)","Ma, G. M. (ORCID:0000000188385205)","Ma, R. (ORCID:0000000201522412)","Maccolini, S. (ORCID:0000000295717535)","Machefert, F. (ORCID:0000000246445916)","Maciuc, F. (ORCID:0000000166519436)","Mackay, I. (ORCID:0000000301717890)","Madhan Mohan, L. R. (ORCID:0000000293908821)","Madurai, M. M. (ORCID:0000000265030759)","Maevskiy, A. (ORCID:0000000316528005)","Magdalinski, D. (ORCID:0000000162677314)","Maisuzenko, D. (ORCID:0000000157043499)","Majewski, M. W.","Malczewski, J. J. (ORCID:0000000327443656)","Malde, S. (ORCID:0000000281790707)","Malecki, B. (ORCID:0000000300621985)","Malentacca, L.","Malinin, A. (ORCID:0000000237319977)","Maltsev, T. (ORCID:0000000221205633)","Manca, G. (ORCID:0000000319604413)","Mancinelli, G. (ORCID:0000000311443678)","Mancuso, C. (ORCID:000000022490435X)","Manera Escalero, R.","Manuzzi, D. (ORCID:0000000299156587)","Marangotto, D. (ORCID:0000000190994878)","Marchand, J. F. (ORCID:0000000241110797)","Marchevski, R. (ORCID:0000000334100918)","Marconi, U. (ORCID:0000000250557224)","Mariani, S. (ORCID:0000000272983101)","Marin Benito, C. (ORCID:0000000305296982)","Marks, J. (ORCID:000000022867722X)","Marshall, A. M. (ORCID:0000000298634954)","Marshall, P. J.","Martelli, G. (ORCID:0000000261503168)","Martellotti, G. (ORCID:0000000286639037)","Martinazzoli, L. (ORCID:000000028996795X)","Martinelli, M. (ORCID:0000000347929178)","Martinez Santos, D. (ORCID:0000000264384483)","Martinez Vidal, F. (ORCID:0000000168416035)","Massafferri, A. (ORCID:0000000232643401)","Materok, M. (ORCID:0000000273806190)","Matev, R. (ORCID:0000000187136119)","Mathad, A. (ORCID:0000000294284715)","Matiunin, V. (ORCID:0000000346655451)","Matteuzzi, C. (ORCID:0000000240474521)","Mattioli, K. R. (ORCID:0000000322227727)","Mauri, A. (ORCID:0000000316648963)","Maurice, E. (ORCID:0000000273664364)","Mauricio, J. (ORCID:0000000293311363)","Mayencourt, P. (ORCID:0000000282101256)","Mazurek, M. (ORCID:0000000236879630)","McCann, M. (ORCID:0000000230387301)","Mcconnell, L. (ORCID:0009000470452181)","McGrath, T. H. (ORCID:0000000189933234)","McHugh, N. T. (ORCID:0000000254773995)","McNab, A. (ORCID:0000000150232086)","McNulty, R. (ORCID:0000000171440175)","Meadows, B. (ORCID:0000000219478034)","Meier, G. (ORCID:0000000242661726)","Melnychuk, D. (ORCID:0000000316677115)","Merk, M. (ORCID:0000000308184695)","Merli, A. (ORCID:0000000203745310)","Meyer Garcia, L. (ORCID:0000000226228551)","Miao, D. (ORCID:0000000342325615)","Miao, H. (ORCID:0000000219365400)","Mikhasenko, M. (ORCID:0000000269692063)","Milanes, D. A. (ORCID:0000000174501121)","Minotti, A. (ORCID:0000000200915177)","Minucci, E. (ORCID:0000000239726824)","Miralles, T. (ORCID:0000000240181454)","Mitchell, S. E. (ORCID:000000027956054X)","Mitreska, B. (ORCID:0000000216974999)","Mitzel, D. S. (ORCID:0000000336502689)","Modak, A. (ORCID:0000000311981441)","Mödden, A. (ORCID:0009000991854901)","Mohammed, R. A. (ORCID:0000000237184144)","Moise, R. D. (ORCID:0000000256628804)","Mokhnenko, S. (ORCID:0000000218491472)","Mombächer, T. (ORCID:000000025612979X)","Monk, M. (ORCID:0000000304840157)","Monroy, I. A. (ORCID:0000000187420531)","Monteil, S. (ORCID:0000000150153353)","Morcillo Gomez, A. (ORCID:0000000191657080)","Morello, G. (ORCID:0000000261803697)","Morello, M. J. (ORCID:0000000341901078)","Morgenthaler, M. P. (ORCID:0000000276995724)","Moron, J. (ORCID:0000000218571675)","Morris, A. B. (ORCID:0000000208329199)","Morris, A. G. (ORCID:0000000166449888)","Mountain, R. (ORCID:0000000319084219)","Mu, H. (ORCID:0000000197207507)","Mu, Z. M. (ORCID:0000000192912231)","Muhammad, E. (ORCID:0000000174135862)","Muheim, F. (ORCID:0000000211318909)","Mulder, M. (ORCID:0000000168678166)","Müller, K. (ORCID:0000000251051305)","Mũnoz-Rojas, F. (ORCID:000000024978602X)","Murta, R. (ORCID:0000000269158370)","Naik, P. (ORCID:0000000169772971)","Nakada, T. (ORCID:0009000062106861)","Nandakumar, R. (ORCID:0000000268136794)","Nanut, T. (ORCID:0000000257289867)","Nasteva, I. (ORCID:0000000171157214)","Needham, M. (ORCID:0000000282976714)","Neri, N. (ORCID:0000000261063756)","Neubert, S. (ORCID:0000000207061944)","Neufeld, N. (ORCID:0000000322980102)","Neustroev, P.","Newcombe, R.","Nicolini, J. (ORCID:0000000190343637)","Nicotra, D. (ORCID:0000000175133033)","Niel, E. M. (ORCID:0000000265874695)","Nikitin, N. (ORCID:0000000302151091)","Nogga, P.","Nolte, N. S. (ORCID:0000000325364209)","Normand, C. (ORCID:0000000150557710)","Novoa Fernandez, J. (ORCID:0000000218191381)","Nowak, G. (ORCID:0000000348647164)","Nunez, C. (ORCID:0000000225219346)","Nur, H. N. (ORCID:000000027822523X)","Oblakowska-Mucha, A. (ORCID:0000000313280534)","Obraztsov, V. (ORCID:0000000209943641)","Oeser, T. (ORCID:0000000177924082)","Okamura, S. (ORCID:0000000312293093)","Oldeman, R. (ORCID:0000000169020710)","Oliva, F. (ORCID:0000000170253407)","Olocco, M. (ORCID:0000000269681217)","Onderwater, C. J. G. (ORCID:0000000223104166)","O’Neil, R. H. (ORCID:0000000297978464)","Otalora Goicochea, J. M. (ORCID:0000000295848500)","Ovsiannikova, T. (ORCID:0000000238909426)","Owen, P. (ORCID:0000000241619147)","Oyanguren, A. (ORCID:0000000282407300)","Ozcelik, O. (ORCID:0000000332279248)","Padeken, K. O. (ORCID:0000000172519125)","Pagare, B. (ORCID:0000000331841622)","Pais, P. R. (ORCID:000900059758742X)","Pajero, T. (ORCID:0000000196302000)","Palano, A. (ORCID:0000000260959593)","Palutan, M. (ORCID:0000000170521360)","Panshin, G. (ORCID:0000000191632051)","Paolucci, L. (ORCID:0000000304652893)","Papanestis, A. (ORCID:0000000254052901)","Pappagallo, M. (ORCID:0000000176015602)","Pappalardo, L. L. (ORCID:0000000208763163)","Pappenheimer, C. (ORCID:0000000307383668)","Parkes, C. (ORCID:0000000341741334)","Passalacqua, B. (ORCID:0000000336437469)","Passaleva, G. (ORCID:0000000280778378)","Passaro, D. (ORCID:0000000286012197)","Pastore, A. (ORCID:0000000250243495)","Patel, M. (ORCID:0000000338715602)","Patoc, J. (ORCID:0009000012014918)","Patrignani, C. (ORCID:0000000258821747)","Pawley, C. J. (ORCID:0000000191123724)","Pellegrino, A. (ORCID:000000027884345X)","Pepe Altarelli, M. (ORCID:0000000216424030)","Perazzini, S. (ORCID:0000000218627122)","Pereima, D. (ORCID:0000000270088082)","Pereiro Castro, A. (ORCID:0000000197213325)","Perret, P. (ORCID:0000000257324343)","Perro, A. (ORCID:0000000219960496)","Petridis, K. (ORCID:0000000178715119)","Petrolini, A. (ORCID:0000000302227594)","Petrucci, S. (ORCID:0000000183124268)","Pham, H. (ORCID:0000000329951953)","Pica, L. (ORCID:0000000198376556)","Piccini, M. (ORCID:0000000186594409)","Pietrzyk, B. (ORCID:0000000318367233)","Pietrzyk, G. (ORCID:000000019622820X)","Pinci, D. (ORCID:0000000272249708)","Pisani, F. (ORCID:000000027763252X)","Pizzichemi, M. (ORCID:000000015189230X)","Placinta, V. (ORCID:0000000344652441)","Plo Casasus, M. (ORCID:000000022289918X)","Polci, F. (ORCID:0000000180580436)","Poli Lener, M. (ORCID:0000000178671232)","Poluektov, A. (ORCID:0000000322229925)","Polukhina, N. (ORCID:0000000159421772)","Polyakov, I. (ORCID:0000000268557783)","Polycarpo, E. (ORCID:0000000242985309)","Ponce, S. (ORCID:0000000214767056)","Popov, D. (ORCID:0000000282932922)","Poslavskii, S. (ORCID:0000000332361452)","Prasanth, K. (ORCID:0000000199230938)","Promberger, L. (ORCID:0000000301276255)","Prouve, C. (ORCID:0000000320006306)","Pugatch, V. (ORCID:0000000252049821)","Puill, V. (ORCID:0000000308067149)","Punzi, G. (ORCID:0000000283469052)","Qi, H. R. (ORCID:0000000293252308)","Qian, W. (ORCID:0000000339327556)","Qin, N. (ORCID:000000018453658X)","Qu, S. (ORCID:0000000275180961)","Quagliani, R. (ORCID:0000000236322453)","Rabadan Trejo, R. I. (ORCID:0000000297873910)","Rachwal, B. (ORCID:0000000206856497)","Rademacker, J. H. (ORCID:0000000325997209)","Rama, M. (ORCID:0000000330024719)","Ramírez García, M. (ORCID:000000017956763X)","Ramos Pernas, M. (ORCID:0000000316009432)","Rangel, M. S. (ORCID:0000000286905198)","Ratnikov, F. (ORCID:0000000307625583)","Raven, G. (ORCID:0000000228975323)","Rebollo De Miguel, M. (ORCID:0000000245224863)","Redi, F. (ORCID:0000000197288984)","Reich, J. (ORCID:0000000226574040)","Reiss, F. (ORCID:0000000283957654)","Ren, Z. (ORCID:0000000199749350)","Resmi, P. K. (ORCID:0000000190252225)","Ribatti, R. (ORCID:0000000317781213)","Ricart, G. R. (ORCID:0000000292922066)","Riccardi, D. (ORCID:000900098397572X)","Ricciardi, S. (ORCID:0000000242543658)","Richardson, K. (ORCID:0000000268472835)","Richardson-Slipper, M. (ORCID:000000022752001X)","Rinnert, K. (ORCID:0000000198021122)","Robbe, P. (ORCID:0000000206569033)","Robertson, G. (ORCID:0000000270261383)","Rodrigues, E. (ORCID:0000000328467625)","Rodriguez Fernandez, E. (ORCID:000000023040065X)","Rodriguez Lopez, J. A. (ORCID:0000000318959319)","Rodriguez Rodriguez, E. (ORCID:0000000279738061)","Rogovskiy, A. (ORCID:0000000210341058)","Rolf, D. L. (ORCID:0000000179087214)","Rollings, A. (ORCID:0000000252133783)","Roloff, P. (ORCID:0000000173784350)","Romanovskiy, V. (ORCID:0000000309394272)","Romero Lamas, M. (ORCID:0000000212178418)","Romero Vidal, A. (ORCID:0000000288301486)","Romolini, G. (ORCID:0000000201184214)","Ronchetti, F. (ORCID:0000000334389774)","Rotondo, M. (ORCID:0000000157046163)","Roy, S. R. (ORCID:0000000239996795)","Rudolph, M. S. (ORCID:000000020050575X)","Ruf, T. (ORCID:0000000286573576)","Ruiz Diaz, M. (ORCID:0000000163676815)","Ruiz Fernandez, R. A. (ORCID:0000000257274454)","Ruiz Vidal, J. (ORCID:0000000183627164)","Ryzhikov, A. (ORCID:0000000235430313)","Ryzka, J. (ORCID:0000000342352445)","Saborido Silva, J. J. (ORCID:000000026270130X)","Sadek, R. (ORCID:0000000304388359)","Sagidova, N. (ORCID:0000000226403794)","Sahoo, N. (ORCID:0000000195398370)","Saitta, B. (ORCID:0000000334910232)","Salomoni, M. (ORCID:000900079229653X)","Sanchez Gras, C. (ORCID:000000027082887X)","Sanderswood, I. (ORCID:0000000177316757)","Santacesaria, R. (ORCID:0000000338260329)","Santamarina Rios, C. (ORCID:0000000298101816)","Santimaria, M. (ORCID:0000000287766759)","Santoro, L. (ORCID:0000000221462648)","Santovetti, E. (ORCID:0000000256051662)","Saputi, A. (ORCID:0000000160677863)","Saranin, D. (ORCID:0000000296179986)","Sarpis, G. (ORCID:0000000317112044)","Sarpis, M. (ORCID:0000000264021674)","Sarti, A. (ORCID:0000000154197951)","Satriano, C. (ORCID:0000000249760460)","Satta, A. (ORCID:000000032462913X)","Saur, M. (ORCID:0000000187524293)","Savrina, D. (ORCID:0000000183726031)","Sazak, H. (ORCID:0000000326891123)","Scantlebury Smead, L. G. (ORCID:0000000187027991)","Scarabotto, A. (ORCID:0000000322909672)","Schael, S. (ORCID:0000000340133468)","Scherl, S. (ORCID:0000000305282724)","Schertz, A. M. (ORCID:0000000268054721)","Schiller, M. (ORCID:000000018750863X)","Schindler, H. (ORCID:0000000214680479)","Schmelling, M. (ORCID:0000000333050576)","Schmidt, B. (ORCID:0000000284001566)","Schmitt, S. (ORCID:0000000263941081)","Schmitz, H.","Schneider, O. (ORCID:0000000260147552)","Schopper, A. (ORCID:0000000285813312)","Schulte, N. (ORCID:0000000301662105)","Schulte, S. (ORCID:0009000185330783)","Schune, M. H. (ORCID:0000000236480830)","Schwemmer, R. (ORCID:0009000552659792)","Schwering, G. (ORCID:0000000317317939)","Sciascia, B. (ORCID:000000030670006X)","Sciuccati, A. (ORCID:0000000285681487)","Sellam, S. (ORCID:0000000303831451)","Semennikov, A. (ORCID:0000000311302197)","Senghi Soares, M. (ORCID:0000000196766059)","Sergi, A. (ORCID:0000000194956115)","Serra, N. (ORCID:0000000250330580)","Sestini, L. (ORCID:0000000211275144)","Seuthe, A. (ORCID:0000000207363061)","Shang, Y. (ORCID:0000000179877558)","Shangase, D. M. (ORCID:0000000202876124)","Shapkin, M. (ORCID:0000000240989592)","Shchemerov, I. (ORCID:0000000191938106)","Shchutska, L. (ORCID:0000000307005448)","Shears, T. (ORCID:0000000226531366)","Shekhtman, L. (ORCID:0000000315129715)","Shen, Z. (ORCID:0000000313915384)","Sheng, S. (ORCID:0000000210505649)","Shevchenko, V. (ORCID:0000000331719125)","Shi, B. (ORCID:0000000257818933)","Shields, E. B. (ORCID:0000000158365211)","Shimizu, Y. (ORCID:0000000249361152)","Shmanin, E. (ORCID:0000000288681730)","Shorkin, R. (ORCID:0000000188813943)","Shupperd, J. D. (ORCID:0009000682182566)","Silva Coutinho, R. (ORCID:000000021545959X)","Simi, G. (ORCID:0000000167416199)","Simone, S. (ORCID:0000000336318398)","Skidmore, N. (ORCID:0000000334100731)","Skuza, R. (ORCID:0000000160576018)","Skwarnicki, T. (ORCID:0000000298979506)","Slater, M. W. (ORCID:0000000226871950)","Smallwood, J. C. (ORCID:0000000324603327)","Smith, E. (ORCID:0000000297400574)","Smith, K. (ORCID:0000000213053377)","Smith, M. (ORCID:0000000238721917)","Snoch, A. (ORCID:0000000164316360)","Soares Lavra, L. (ORCID:000000022652123X)","Sokoloff, M. D. (ORCID:0000000161814583)","Soler, F. J. P. (ORCID:0000000248933729)","Solomin, A. (ORCID:0000000306443227)","Solovev, A. (ORCID:0000000253555996)","Solovyev, I. (ORCID:0000000342546012)","Song, R. (ORCID:0000000288548905)","Song, Y. (ORCID:0000000319595676)","Song, Y. (ORCID:0000000302564320)","Song, Y. S. (ORCID:0000000334711751)","Souza De Almeida, F. L. (ORCID:0000000171816785)","Souza De Paula, B. (ORCID:0009000337943408)","Spadaro Norella, E. (ORCID:0000000211115597)","Spedicato, E. (ORCID:0000000249506665)","Speer, J. G. (ORCID:0000000261177307)","Spiridenkov, E.","Spradlin, P. (ORCID:0000000252809464)","Sriskaran, V. (ORCID:0000000298670453)","Stagni, F. (ORCID:0000000275764019)","Stahl, M. (ORCID:0000000184768188)","Stahl, S. (ORCID:000000028243400X)","Stanislaus, S. (ORCID:0000000317760498)","Stein, E. N. (ORCID:0000000152148865)","Steinkamp, O. (ORCID:0000000170556467)","Stenyakin, O.","Stevens, H. (ORCID:0000000294749332)","Strekalina, D. (ORCID:0000000338304889)","Su, Y. (ORCID:0000000227397453)","Suljik, F. (ORCID:0000000167677698)","Sun, J. (ORCID:0000000260202304)","Sun, L. (ORCID:0000000200342567)","Sun, Y. (ORCID:0000000349335058)","Swallow, P. N. (ORCID:0000000327518515)","Swientek, K. (ORCID:0000000160864116)","Swystun, F. (ORCID:0009000606727771)","Szabelski, A. (ORCID:0000000266042938)","Szumlak, T. (ORCID:0000000225627163)","Szymanski, M. (ORCID:0000000291216629)","Tan, Y. (ORCID:0000000338606545)","Taneja, S. (ORCID:0000000188562777)","Tat, M. D. (ORCID:0000000268667085)","Terentev, A. (ORCID:0000000325748560)","Terzuoli, F. (ORCID:000000029717225X)","Teubert, F. (ORCID:0000000332775268)","Thomas, E. (ORCID:0000000309847593)","Thompson, D. J. D. (ORCID:0000000311965943)","Tilquin, H. (ORCID:0000000347352014)","Tisserand, V. (ORCID:0000000349160446)","T’Jampens, S. (ORCID:0000000342496641)","Tobin, M. (ORCID:0000000220477020)","Tomassetti, L. (ORCID:0000000341841335)","Tonani, G. (ORCID:0000000174771148)","Tong, X. (ORCID:0000000252781203)","Torres Machado, D. (ORCID:0000000170306468)","Toscano, L. (ORCID:0009000756136520)","Tou, D. Y. (ORCID:0000000247322408)","Trippl, C. (ORCID:0000000336641240)","Tuci, G. (ORCID:0000000203645758)","Tuning, N. (ORCID:0000000326117840)","Uecker, L. H. (ORCID:0000000332559514)","Ukleja, A. (ORCID:0000000304804850)","Unverzagt, D. J. (ORCID:0000000214842546)","Ursov, E. (ORCID:0000000265194526)","Usachov, A. (ORCID:0000000258296284)","Ustyuzhanin, A. (ORCID:0000000178652357)","Uwer, U. (ORCID:0000000285143777)","Vagnoni, V. (ORCID:000000032206311X)","Valassi, A. (ORCID:0000000193229565)","Valenti, G. (ORCID:0000000261197535)","Valls Canudas, N. (ORCID:0000000187488448)","Van Hecke, H. (ORCID:0000000179617190)","van Herwijnen, E. (ORCID:0000000188078811)","Van Hulse, C. B. (ORCID:0000000253976782)","Van Laak, R. (ORCID:0000000277386066)","van Veghel, M. (ORCID:0000000161786623)","Vazquez Gomez, R. (ORCID:0000000153191128)","Vazquez Regueiro, P. (ORCID:0000000207679736)","Vázquez Sierra, C. (ORCID:0000000258650677)","Vecchi, S. (ORCID:0000000243113166)","Velthuis, J. J. (ORCID:0000000246493221)","Veltri, M. (ORCID:0000000179179661)","Venkateswaran, A. (ORCID:0000000169501477)","Vesterinen, M. (ORCID:0000000177172765)","Vieira, D. (ORCID:0000000195112846)","Vieites Diaz, M. (ORCID:0000000209444340)","Vilasis-Cardona, X. (ORCID:0000000219159543)","Vilella Figueras, E. (ORCID:0000000278652856)","Villa, A. (ORCID:0000000293926157)","Vincent, P. (ORCID:0000000292834541)","Volle, F. C. (ORCID:0000000318283881)","vom Bruch, D. (ORCID:0000000199058031)","Vorobyev, V.","Voropaev, N. (ORCID:0000000221000726)","Vos, K. (ORCID:0000000242584062)","Vouters, G.","Vrahas, C. (ORCID:0000000161041496)","Walsh, J. (ORCID:0000000272356976)","Walton, E. J. (ORCID:0000000167592504)","Wan, G. (ORCID:0000000301331664)","Wang, C. (ORCID:0000000259091379)","Wang, G. (ORCID:000000016041115X)","Wang, J. (ORCID:0000000175423073)","Wang, J. (ORCID:0000000263912205)","Wang, J. (ORCID:0000000232818136)","Wang, J. (ORCID:0000000167114465)","Wang, M. (ORCID:000000034062710X)","Wang, N. W. (ORCID:0000000269156607)","Wang, R. (ORCID:0000000226294735)","Wang, X. (ORCID:0000000223997646)","Wang, X. W. (ORCID:0000000195658312)","Wang, Y. (ORCID:0000000339794330)","Wang, Z. (ORCID:0000000250417651)","Wang, Z. (ORCID:0000000305974878)","Wang, Z. (ORCID:0000000344106889)","Ward, J. A. (ORCID:0000000341609333)","Watson, N. K. (ORCID:0000000281424678)","Websdale, D. (ORCID:0000000241131539)","Wei, Y. (ORCID:0000000161163944)","Westhenry, B. D. C. (ORCID:0000000245892626)","White, D. J. (ORCID:0000000251216923)","Whitehead, M. (ORCID:0000000221423673)","Wiederhold, A. R. (ORCID:0000000210231086)","Wiedner, D. (ORCID:0000000241494137)","Wilkinson, G. (ORCID:0000000152550619)","Wilkinson, M. K. (ORCID:0000000165612145)","Williams, M. (ORCID:0000000182853346)","Williams, M. R. J. (ORCID:0000000154484213)","Williams, R. (ORCID:0000000226753567)","Wilson, F. F. (ORCID:0000000255520842)","Wislicki, W. (ORCID:0000000157656308)","Witek, M. (ORCID:000000028317385X)","Witola, L. (ORCID:0000000191789921)","Wong, C. P. (ORCID:0000000298394065)","Wormser, G. (ORCID:0000000340776295)","Wotton, S. A. (ORCID:0000000345438121)","Wu, H. (ORCID:0000000293373476)","Wu, J. (ORCID:0000000242820977)","Wu, Y. (ORCID:0000000331920486)","Wyllie, K. (ORCID:0000000226992189)","Xian, S.","Xiang, Z. (ORCID:0000000297003448)","Xie, Y. (ORCID:0000000150124069)","Xu, A. (ORCID:0000000285211688)","Xu, J. (ORCID:0000000169505865)","Xu, L. (ORCID:0000000328001438)","Xu, L. (ORCID:0000000202415184)","Xu, M. (ORCID:000000018885565X)","Xu, Z. (ORCID:0000000275316873)","Xu, Z. (ORCID:0000000195581079)","Xu, Z. (ORCID:0000000196024901)","Yang, D. (ORCID:0009000226754022)","Yang, S. (ORCID:0000000325050365)","Yang, X. (ORCID:0000000274813149)","Yang, Y. (ORCID:0000000289172620)","Yang, Z. (ORCID:0000000329379782)","Yang, Z. (ORCID:0000000305722021)","Yeroshenko, V. (ORCID:0000000287710579)","Yeung, H. (ORCID:0000000198695290)","Yin, H. (ORCID:0000000169778257)","Yu, C. Y. (ORCID:0000000243932567)","Yu, J. (ORCID:0000000312303300)","Yuan, X. (ORCID:0000000304683083)","Zaffaroni, E. (ORCID:0000000317149218)","Zavertyaev, M. (ORCID:000000024655715X)","Zdybal, M. (ORCID:0000000217019619)","Zeng, M. (ORCID:0000000197171751)","Zhang, C. (ORCID:0000000298658964)","Zhang, D. (ORCID:0000000288269113)","Zhang, J. (ORCID:0000000160108556)","Zhang, L. (ORCID:0000000322798837)","Zhang, S. (ORCID:0000000297944088)","Zhang, S. (ORCID:0000000223850767)","Zhang, Y. (ORCID:000000020157188X)","Zhang, Y.","Zhang, Y. Z. (ORCID:0000000163468872)","Zhao, Y. (ORCID:0000000281853771)","Zharkova, A. (ORCID:0000000312374491)","Zhelezov, A. (ORCID:0000000223449412)","Zheng, X. Z. (ORCID:0000000176477110)","Zheng, Y. (ORCID:0000000303229858)","Zhou, T. (ORCID:0000000238049948)","Zhou, X. (ORCID:0009000594859477)","Zhou, Y. (ORCID:0000000320353391)","Zhovkovska, V. (ORCID:0000000298124508)","Zhu, L. Z. (ORCID:0000000306096456)","Zhu, X. (ORCID:0000000244851478)","Zhu, X. (ORCID:0000000295734570)","Zhu, Z. (ORCID:0000000292113867)","Zhukov, V. (ORCID:000000030159291X)","Zhuo, J. (ORCID:0000000262273368)","Zou, Q. (ORCID:0000000300385038)","Zuliani, D. (ORCID:0000000214784593)","Zunica, G. (ORCID:0000000259726290)"],"subjects":["71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS","atomic","nuclear and particle physics"],"article_type":"Accepted Manuscript","contributing_org":"LHCb Collaboration","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0031-9007","other_identifiers":["Journal ID: ISSN 0031-9007"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315666"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2315666"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315666"}]}, {"osti_id":"2305434","title":"Electronic conductivity in metal-graphene composites: the role of disordered carbon structures, defects, and impurities","doi":"10.1088/2515-7639/ad261a","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: JPhys Materials Journal Volume: 7 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n This paper explores the transport properties of aluminum-carbon composite material via\n <italic>ab initio<\/italic>\n methods. Interfacial and electronic dynamics of the aluminum-graphene interface structure were investigated using models of amorphous graphene added to an aluminum matrix. We examine the impact on electronic conduction caused by the presence of nitrogen impurities within the interfacial amorphous graphene layer. We elucidate the conduction mechanisms by using a projection of the electronic conductivity into space.\n <\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"IOP Publishing","journal_name":"JPhys Materials","journal_issue":"2","journal_volume":"7","format":"Medium: X; Size: Article No. 025003","authors":["Nepal, K. (ORCID:000000029310775X)","Ugwumadu, C. (ORCID:0000000199207594)","Gautam, A. (ORCID:0009000740626015)","Kappagantula, Keerti","Drabold, D. A. (ORCID:0000000153445837)"],"article_type":"Published Article","doe_contract_number":"AC06-76LO1830","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2515-7639","other_identifiers":["Journal ID: ISSN 2515-7639"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305434"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305434"}]}, {"osti_id":"2305409","title":"Choreographing root architecture and rhizosphere interactions through synthetic biology","doi":"10.1038/s41467-024-45272-5","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Climate change is driving extreme changes to the environment, posing substantial threats to global food security and bioenergy. Given the direct role of plant roots in mediating plant-environment interactions, engineering the form and function of root systems and their associated microbiota may mitigate these effects. Synthetic genetic circuits have enabled sophisticated control of gene expression in microbial systems for years and a surge of advances has heralded the extension of this approach to multicellular plant species. Targeting these tools to affect root structure, exudation, and microbe activity on root surfaces provide multiple strategies for the advancement of climate-ready crops.<\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Ragland, Carin J.","Shih, Kevin Y.","Dinneny, José R. (ORCID:000000023998724X)"],"article_type":"Published Article","doe_contract_number":"SC0023160","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1370; PII: 45272"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305409"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305409"}]}, {"osti_id":"2305412","title":"Boreal–Arctic wetland methane emissions modulated by warming and vegetation activity","doi":"10.1038/s41558-024-01933-3","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Climate Change Journal Volume: 14 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n Wetland methane (CH\n <sub>4<\/sub>\n ) emissions over the Boreal–Arctic region are vulnerable to climate change and linked to climate feedbacks, yet understanding of their long-term dynamics remains uncertain. Here, we upscaled and analysed two decades (2002–2021) of Boreal–Arctic wetland CH\n <sub>4<\/sub>\n emissions, representing an unprecedented compilation of eddy covariance and chamber observations. We found a robust increasing trend of CH\n <sub>4<\/sub>\n emissions (+8.9%) with strong inter-annual variability. The majority of emission increases occurred in early summer (June and July) and were mainly driven by warming (52.3%) and ecosystem productivity (40.7%). Moreover, a 2 °C temperature anomaly in 2016 led to the highest recorded annual CH\n <sub>4<\/sub>\n emissions (22.3 Tg CH\n <sub>4<\/sub>\n yr\n <sup>−1<\/sup>\n ) over this region, driven primarily by high emissions over Western Siberian lowlands. However, current-generation models from the Global Carbon Project failed to capture the emission magnitude and trend, and may bias the estimates in future wetland CH\n <sub>4<\/sub>\n emission driven by amplified Boreal–Arctic warming and greening.\n <\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Climate Change","journal_issue":"3","journal_volume":"14","format":"Medium: X; Size: p. 282-288","authors":["Yuan, Kunxiaojia (ORCID:0000000213365768)","Li, Fa (ORCID:0000000206255587)","McNicol, Gavin (ORCID:0000000266558045)","Chen, Min (ORCID:0000000163117124)","Hoyt, Alison (ORCID:0000000308135084)","Knox, Sara","Riley, William J. (ORCID:0000000246152304)","Jackson, Robert (ORCID:0000000188467147)","Zhu, Qing (ORCID:000000032441944X)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1758-678X","other_identifiers":["Journal ID: ISSN 1758-678X; PII: 1933"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305412"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305412"}]}, {"osti_id":"2305580","title":"Assessing the sensitivity of aerosol mass budget and effective radiative forcing to horizontal grid spacing in E3SMv1 using a regional refinement approach","report_number":"PNNL-SA-183690","doi":"10.5194/gmd-17-1327-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Geoscientific Model Development (Online) Journal Volume: 17 Journal Issue: 3","description":"Atmospheric aerosols have important impacts on air quality and the Earth–atmospheric energy balance. However, as computing power is limited, Earth system models generally use coarse spatial grids and parameterize finer-scale atmospheric processes. These parameterizations and the simulation of atmospheric aerosols are often sensitive to model horizontal resolutions. Understanding the sensitivities is necessary for the development of Earth system models at higher resolutions with the deployment of more powerful supercomputers. Using the Energy Exascale Earth System Model (E3SM) version 1, this study investigates the impact of horizontal grid spacing on the simulated aerosol mass budget, aerosol–cloud interactions, and the effective radiative forcing of anthropogenic aerosols (ERF<sub>aer<\/sub>) over the contiguous United States. We examine the resolution sensitivity by comparing the nudged simulation results for 2016 from the low-resolution model (LR) and the regional refinement model (RRM). As expected, the simulated emissions of natural dust, sea salt, and marine organic matter are substantially higher in the RRM than in the LR. In addition, RRM simulates stronger aqueous-phase production of sulfate through the enhanced oxidation of sulfur dioxide by hydrogen peroxide due to increased cloud liquid water content. In contrast, the gas-phase chemical production of sulfate is slightly suppressed. The RRM resolves more large-scale precipitation and produces less convective precipitation than the LR, leading to increased (decreased) aerosol wet scavenging by large-scale (convective) precipitation. Regarding aerosol effects on clouds, RRM produces larger temporal variabilities in the large-scale liquid cloud fractions than LR, resulting in increased microphysical cloud processing of aerosols (more interstitial aerosols are converted to cloud-borne aerosols via aerosol activation) in RRM. Water vapor condensation is also enhanced in RRM compared to LR. Consequently, the RRM simulation produces more cloud droplets, a larger cloud droplet radius, a higher liquid water path, and a larger cloud optical depth than the LR simulation. A comparison of the present-day and pre-industrial simulations indicates that, for this contiguous United States domain, the higher-resolution increases ERF<sub>aer<\/sub> at the top of the model by about 12 %, which is mainly attributed to the strengthened indirect effect associated with aerosol–cloud interactions.","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Geoscientific Model Development (Online)","journal_issue":"3","journal_volume":"17","format":"Medium: X; Size: p. 1327-1347","authors":["Li, Jianfeng (ORCID:0000000210919753)","Zhang, Kai (ORCID:0000000304576368)","Hassan, Taufiq (ORCID:0000000323616361)","Zhang, Shixuan (ORCID:0000000257239747)","Ma, Po-Lun (ORCID:0000000331095316)","Singh, Balwinder","Yan, Qiyang","Huang, Huilin (ORCID:0000000273286738)"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Published Article","doe_contract_number":"the Enabling Aerosol–cloud interactions at GLobal convection-permitting scalES (EAGLES) project (project no. 74358); AC02-05CH11231; ALCC-ERCAP0016315; BER-ERCAP0015329; BER-ERCAP0018473; BER-ERCAP0020990; AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)"],"journal_issn":"ISSN 1991-9603","other_identifiers":["Journal ID: ISSN 1991-9603"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305580"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305580"}]}, {"osti_id":"2305594","title":"Estimates of global recycling coefficients for LTX-<em>β<\/em> discharges","report_number":"LLNL-JRNL-854653","doi":"10.1063/5.0177604","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physics of Plasmas; Journal Volume: 31; Journal Issue: 2","description":"We report the first observation of global recycling coefficient R near 0.5 in the Lithium Tokamak eXperiment-β (LTX-β), significantly below the minimum R previously reported in other devices. In a series of experiments with varied Li wall conditioning, estimates of the recycling coefficient have been made using a Lyman-α array and DEGAS2 modeling. A progressive reduction in Lyman-α emission with increased lithium and an increase in edge electron temperature are observed. It is also observed that with increasing Li coating thickness, the effective particle confinement time τ<sub>p<\/sub><sup>*<\/sup> is reduced and approaches TRANSP calculated energy confinement time (τ<sub>E<\/sub>), with τ<sub>p<\/sub><sup>*<\/sup> near τ<sub>E,TRANSP<\/sub> for the lowest recycling coefficients. Edge temperatures approaching core plasma temperatures, first reported in LTX, can now be directly connected to estimates of the recycling coefficient and qualitatively agree with previous UEDGE simulations. The particle flux to the limiting surfaces appears to be significantly reduced in comparison with fluid scrape-off layer (SOL) models, indicating that a large fraction of the SOL ions are mirror trapped. SOL collisionality drops more than an order of magnitude below the banana regime boundary, indicating the importance of kinetic effects. Full-f 1x2v gyrokinetic simulations of SOL field lines with the GKEYLL code indicate that the fraction of ions trapped along field lines increases as collisionality drops, as a result of increased lithium evaporation.","availability":"External Audience (Unlimited)","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Physics of Plasmas","journal_issue":"2","journal_volume":"31","format":"Medium: ED; Size: Article No. 022505","authors":["Maan, A. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000174742785)","Boyle, D. P. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000180918169)","Majeski, R. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000194370958)","Wilkie, G. J. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000268266273)","Francisquez, M. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000282473770)","Banerjee, S. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000308598855)","Kaita, R. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000285159824)","Maingi, R. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000312388121)","LeBlanc, B. P. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000314550129)","Abe, S. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:000000021477423X)","Jung, E. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000151088055)","Perez, E. [Univ. of Wisconsin, Madison, WI (United States)] (ORCID:0000000239752440)","Capecchi, W. [Univ. of Wisconsin, Madison, WI (United States)] (ORCID:0000000203800180)","Ostrowski, E. T. [Princeton Univ., NJ (United States)] (ORCID:0000000202612508)","Elliott, D. B. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000345350381)","Hansen, C. [Columbia Univ., New York, NY (United States)] (ORCID:0000000169285815)","Kubota, S. [Univ. of California, Los Angeles, CA (United States)] (ORCID:0000000319949825)","Soukhanovskii, V. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000155190145)","Zakharov, L. [LiWall Fusion, Princeton, NJ (United States)] (ORCID:0000000223559144)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","74 ATOMIC AND MOLECULAR PHYSICS","Gyrokinetic simulations","Thomson scattering","Plasma facing components","Plasma confinement","Plasma diagnostics","Plasma material interactions","Plasma temperature","Tokamaks"],"article_type":"Accepted Manuscript","doe_contract_number":"AC52-07NA27344; AC02-09CH11466; AC05-00OR22725; SC0023481; SC0019006; SC0019239; SC0019308","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 1070-664X","other_identifiers":["Journal ID: ISSN 1070-664X; 1083264"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305594"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2305594"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305594"}]}, {"osti_id":"2305430","title":"A generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture","doi":"10.1038/s42004-023-01090-2","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Communications Chemistry Journal Volume: 7 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Metal-organic frameworks (MOFs) exhibit great promise for CO\n <sub>2<\/sub>\n capture. However, finding the best performing materials poses computational and experimental grand challenges in view of the vast chemical space of potential building blocks. Here, we introduce GHP-MOFassemble, a generative artificial intelligence (AI), high performance framework for the rational and accelerated design of MOFs with high CO\n <sub>2<\/sub>\n adsorption capacity and synthesizable linkers. GHP-MOFassemble generates novel linkers, assembled with one of three pre-selected metal nodes (Cu paddlewheel, Zn paddlewheel, Zn tetramer) into MOFs in a primitive cubic topology. GHP-MOFassemble screens and validates AI-generated MOFs for uniqueness, synthesizability, structural validity, uses molecular dynamics simulations to study their stability and chemical consistency, and crystal graph neural networks and Grand Canonical Monte Carlo simulations to quantify their CO\n <sub>2<\/sub>\n adsorption capacities. We present the top six AI-generated MOFs with CO\n <sub>2<\/sub>\n capacities greater than 2m mol g\n <sup>−1<\/sup>\n , i.e., higher than 96.9% of structures in the hypothetical MOF dataset.\n <\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Communications Chemistry","journal_issue":"1","journal_volume":"7","format":"Medium: X","authors":["Park, Hyun","Yan, Xiaoli","Zhu, Ruijie","Huerta, Eliu A. (ORCID:0000000296823604)","Chaudhuri, Santanu","Cooper, Donny (ORCID:000000022432972X)","Foster, Ian (ORCID:0000000321295269)","Tajkhorshid, Emad (ORCID:0000000184341010)"],"article_type":"Published Article","doe_contract_number":"AC02-06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2399-3669","other_identifiers":["Journal ID: ISSN 2399-3669; 21; PII: 1090"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305430"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305430"}]}, {"osti_id":"2305551","title":"Turbulently Driven Detonation Initiation in Electron-degenerate Matter with Helium","doi":"10.3847/2041-8213/ad2615","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal. Letters Journal Volume: 962 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Type Ia supernovae (SNe Ia) are standardizable cosmological candles that led to the discovery of the accelerating Universe. However, the physics of how white dwarfs (WDs) explode and lead to SNe Ia is still poorly understood. The initiation of the detonation front that rapidly disrupts the WD is a crucial element of the puzzle, and global 3D simulations of SNe Ia cannot resolve the requisite length scales to capture detonation initiation. In this work, we elucidate a theoretical criterion for detonation initiation in the distributed burning regime. We test this criterion against local 3D driven turbulent hydrodynamical simulations within electron-degenerate WD matter consisting initially of pure helium. We demonstrate a novel pathway for detonation, in which strong turbulent dissipation rapidly heats the helium, and forms carbon nuclei sufficient to lead to a detonation through accelerated burning via\n <italic>α<\/italic>\n captures. Simulations of strongly driven turbulent conditions lead to detonations at a mean density of 10\n <sup>6<\/sup>\n g cm\n <sup>−3<\/sup>\n and mean temperature of 1.4–1.8 × 10\n <sup>9<\/sup>\n K, but fail to detonate at a lower density of 10\n <sup>5<\/sup>\n g cm\n <sup>−3<\/sup>\n , in excellent agreement with theoretical predictions.\n <\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal. Letters","journal_issue":"2","journal_volume":"962","format":"Medium: X; Size: Article No. L31","authors":["Casabona, Gabriel O. (ORCID:0000000269868989)","Fisher, Robert T. (ORCID:0000000180777255)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-8205","other_identifiers":["Journal ID: ISSN 2041-8205"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305551"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305551"}]}, {"osti_id":"2281408","title":"An interpretable and transferrable vision transformer model for rapid materials spectra classification","doi":"10.1039/D3DD00198A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Digital Discovery Journal Volume: 3 Journal Issue: 2","description":"<p>An interpretable and transferrable Vision Transformer (ViT) model was developed for classifying individual materials from their XRD and FTIR spectra.<\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Digital Discovery","journal_issue":"2","journal_volume":"3","format":"Medium: X; Size: p. 369-380","authors":["Chen, Zhenru [Department of Mechanical and Aerospace Engineering, University of Missouri, Columbia, MO 65201, USA]","Xie, Yunchao [Department of Mechanical and Aerospace Engineering, University of Missouri, Columbia, MO 65201, USA] (ORCID:0000000162161211)","Wu, Yuchao [Department of Mechanical and Aerospace Engineering, University of Missouri, Columbia, MO 65201, USA]","Lin, Yuyi [Department of Mechanical and Aerospace Engineering, University of Missouri, Columbia, MO 65201, USA]","Tomiya, Shigetaka [Data Science Center, Graduate School of Advanced Science and Technology, Material Science Division, Nara Institute of Science and Technology (NAIST), 8916-5 Takayamacho, Ikoma City, Nara Prefecture 630-0192, Japan]","Lin, Jian [Department of Mechanical and Aerospace Engineering, University of Missouri, Columbia, MO 65201, USA] (ORCID:0000000246752529)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2635-098X","other_identifiers":["Journal ID: ISSN 2635-098X; DDIIAI"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281408"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281408"}]}, {"osti_id":"2310933","title":"Staircase resiliency in a fluctuating cellular array","doi":"10.1103/physreve.109.025209","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. E; Journal Volume: 109; Journal Issue: 2","description":"Inhomogeneous mixing by stationary convective cells set in a fixed array is a particularly simple route to layering. Layered profile structures, or staircases, have been observed in many systems, including drift-wave turbulence in magnetic confinement devices. The simplest type of staircase occurs in passive-scalar advection, due to the existence and interplay of two disparate timescales, the cell turn-over (τ<sub>H<\/sub>), and the cell diffusion (τ<sub>D<\/sub>) time. In this simple system, we study the resiliency of the staircase structure in the presence of global transverse shear and weak vortex scattering. The fixed cellular array is then generalized to a fluctuating vortex array in a series of numerical experiments. The focus is on regimes of low-modest effective Reynolds numbers, as found in magnetic fusion devices. By systematically perturbing the elements of the vortex array, we learn that staircases form and are resilient (although steps become less regular, due to cell mergers) over a broad range of Reynolds numbers. The criteria for resiliency are (a) τ<sub>D<\/sub> >>τ<sub>H<\/sub> and (b) a sufficiently high profile curvature (κ ≥ 1.5). We learn that scalar concentration travels along regions of shear, thus staircase barriers form first, and scalar concentration \"homogenizes\" in vortices later. The scattering of vortices induces a lower effective speed of scalar concentration front propagation. The paths are those of the least time. We observe that if background diffusion is kept fixed, the cell geometric properties can be used to derive an approximation for the effective diffusivity of the scalar. Furthermore, the effective diffusivity of the fluctuating vortex array does not deviate significantly from that of the fixed cellular array.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. E","journal_issue":"2","journal_volume":"109","format":"Medium: ED; Size: Article No. 025209","authors":["Ramirez, F. R. [University of California San Diego, La Jolla, CA (United States)] (ORCID:0009000169943192)","Diamond, P. H. [University of California San Diego, La Jolla, CA (United States)] (ORCID:0000000332732604)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","Plasma transport"],"article_type":"Accepted Manuscript","doe_contract_number":"FG02-04ER54738","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[{"name":"University of California San Diego, La Jolla, CA (United States)"}],"research_orgs":["University of California San Diego, La Jolla, CA (United States)"],"journal_issn":"ISSN 2470-0045","other_identifiers":["Journal ID: ISSN 2470-0045"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310933"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310933"}]}, {"osti_id":"2305779","title":"Numerical coupling of aerosol emissions, dry removal, and turbulent mixing in the E3SM Atmosphere Model version 1 (EAMv1) – Part 2: A semi-discrete error analysis framework for assessing coupling schemes","report_number":"LLNL-JRNL-850080","doi":"10.5194/gmd-17-1409-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Geoscientific Model Development (Online) Journal Volume: 17 Journal Issue: 3","description":"<p>Abstract. Part 1 (Wan et al., 2024) of this study discusses the motivation and empirical evaluation of a revision to the aerosol-related numerical process coupling in the atmosphere component of the Energy Exascale Earth System Model version 1 (EAMv1) to address the previously reported issue of strong sensitivity of the simulated dust aerosol lifetime and dry removal rate to the model\'s vertical resolution. This paper complements that empirical justification of the revised scheme with a mathematical justification leveraging a semi-discrete analysis framework for assessing the splitting error of process coupling methods. The framework distinguishes the error due to numerical splitting from the error due to the time integration method(s) used for each individual process. Such a distinction results in a framework that provides an intuitive understanding of the causes of the splitting error. The application of this framework to the dust life cycle in EAMv1 confirms (i) that the original EAMv1 scheme artificially strengthens the effect of dry removal processes and (ii) that the revised splitting reduces that artificial strengthening. While the error analysis framework is presented in the context of the dust life cycle in EAMv1, the framework can be broadly leveraged to evaluate process coupling schemes, both in other physical problems and for any number of processes. This framework will be particularly powerful when the various process implementations support a variety of time integration approaches. Whereas traditional local truncation error approaches require separate consideration of each combination of time integration methods, this framework enables evaluation of coupling schemes independent of particular time integration approaches for each process while still allowing for the incorporation of these specific time integration errors if so desired. The framework also explains how the splitting error terms result from (i) the integration of individual processes in isolation from other processes and (ii) the choices of input state and time step size for the isolated integration of processes. Such a perspective has the potential for the rapid development of alternative coupling approaches that utilize knowledge both about the desired accuracy and about the computational costs of individual processes.<\/p>","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Geoscientific Model Development (Online)","journal_issue":"3","journal_volume":"17","format":"Medium: X; Size: p. 1409-1428","authors":["Vogl, Christopher J. (ORCID:000000023855694X)","Wan, Hui (ORCID:0000000152944116)","Woodward, Carol S. (ORCID:0000000265028659)","Bui, Quan M."],"subjects":["97 MATHEMATICS AND COMPUTING","58 GEOSCIENCES"],"article_type":"Published Article","doe_contract_number":"79698; AC52-07NA27344; AC02-05CH11231; AC06-76RLO1830","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)","USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 1991-9603","other_identifiers":["Journal ID: ISSN 1991-9603"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305779"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305779"}]}, {"osti_id":"2305598","title":"Reducing Richtmyer–Meshkov instability jet velocity via inverse design","report_number":"LLNL-JRNL-855667","doi":"10.1063/5.0180712","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Applied Physics; Journal Volume: 135; Journal Issue: 7","description":"In this work, we detail a novel application of inverse design and advanced manufacturing to rapidly develop and experimentally validate modifications to a shaped charge jet analog. The shaped charge jet analog comprises a copper liner, a high explosive (HE), and a silicone buffer. Here, we apply a genetic algorithm to determine an optimal buffer design that can be placed between the liner and the HE that results in the largest possible change in jet velocity. The use of a genetic algorithm allows for discoveries of unintuitive, complex, yet optimal buffer designs. Experiments using the optimal design verified the effectiveness of the buffer and validated the machine learning approach to hydrodynamic design optimization.","availability":"External Audience (Unlimited)","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Journal of Applied Physics","journal_issue":"7","journal_volume":"135","format":"Medium: ED; Size: Article No. 074902","authors":["Kline, Dylan J. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000188002841)","Hennessey, Michael P. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000296055078)","Amondson, David K. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000189366735)","Lin, Steve [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Grapes, Michael D. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000181420370)","Ferrucci, Massimiliano [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000288118681)","Li, Peggy [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000160677580)","Springer, H. Keo [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000256414515)","Reeves, Robert V. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000290964975)","Sullivan, Kyle T. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000217792919)","Belof, Jonathan L. [Lawrence Livermore National Laboratory , Livermore, California 94550, USA] (ORCID:0000000165517439)"],"subjects":["97 MATHEMATICS AND COMPUTING","42 ENGINEERING","36 MATERIALS SCIENCE"],"article_type":"Accepted Manuscript","doe_contract_number":"AC52-07NA27344; 21-SI-006","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 0021-8979","other_identifiers":["Journal ID: ISSN 0021-8979; 1080879"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305598"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305598"}]}, {"osti_id":"2282214","title":"Using spatial confinement to decipher polymorphism in the organic semiconductor p-DTS(FBTTh\n <sub>2<\/sub>\n )\n <sub>2<\/sub>","doi":"10.1039/D3TC03640E","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry C Journal Volume: 12 Journal Issue: 7","description":"<p>\n Spatial confinement at the nanoscale is exploited to achieve specific polymorphs in the organic semiconductor p-DTS(FBTTh\n <sub>2<\/sub>\n )\n <sub>2<\/sub>\n . A new polymorph exhibiting higher charge-carrier mobility compared to previously reported crystal form is found.\n <\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry C","journal_issue":"7","journal_volume":"12","format":"Medium: X; Size: p. 2410-2415","authors":["Marina, Sara [POLYMAT, University of the Basque Country UPV/EHU Av. de Tolosa 72, 20018, San Sebastián, Spain]","Dyson, Matthew [Imperial College London, Exhibition Road, London SW7 2AZ, UK]","Rodríguez-Martínez, Xabier [Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Campus UAB, 08193, Bellaterra, Spain] (ORCID:0000000267154392)","Reid, Obadiah G. [National Renewable Energy Laboratory, 15013 denver West Parkway, Golden, Colorado 80401, USA, Renewable and Sustainable Energy Institute, University of Colorado, Boulder 4001 Discovery Drive, Boulder, CO 80303, USA] (ORCID:0000000306463981)","Li, Ruipeng [Cornell High Energy Synchrotron Source, Wilson Laboratory, Cornell University, Ithaca, New York 14853, USA]","Rumbles, Garry [National Renewable Energy Laboratory, 15013 denver West Parkway, Golden, Colorado 80401, USA] (ORCID:0000000307761462)","Smilgies, Detlef [Cornell High Energy Synchrotron Source, Wilson Laboratory, Cornell University, Ithaca, New York 14853, USA] (ORCID:000000019351581X)","Amassian, Aram [Materials Science and Engineering, North Carolina State University, Raleigh NC 27695, USA] (ORCID:0000000257341194)","Campoy-Quiles, Mariano [Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Campus UAB, 08193, Bellaterra, Spain] (ORCID:000000028911640X)","Stingelin, Natalie [School of Materials Science and Engineering and School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, 311 Ferst Drive, Atlanta, Georgia, 30332, USA] (ORCID:0000000214144545)","Martín, Jaime [POLYMAT, University of the Basque Country UPV/EHU Av. de Tolosa 72, 20018, San Sebastián, Spain, Universidade da Coruña, Campus Industrial de Ferrol, CITENI, Esteiro, 15471 Ferrol, Spain] (ORCID:0000000296697273)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7526","other_identifiers":["Journal ID: ISSN 2050-7526; JMCCCX"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282214"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282214"}]}, {"osti_id":"2275013","title":"Event-driven data management with cloud computing for extensible materials acceleration platforms","doi":"10.1039/D3DD00220A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Digital Discovery Journal Volume: 3 Journal Issue: 2","description":"<p>Event-based data workflows powered by cloud computing can help accelerate the development of materials acceleration platforms while fostering the ideals of extensibility and interoperability in materials chemistry research.<\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Digital Discovery","journal_issue":"2","journal_volume":"3","format":"Medium: X; Size: p. 238-242","authors":["Statt, Michael J. [Modelyst LLC, Palo Alto, CA 94306, USA]","Rohr, Brian A. [Modelyst LLC, Palo Alto, CA 94306, USA]","Guevarra, Dan [Division of Engineering and Applied Science, California Institute of Technology, Pasadena, CA 91125, USA, Liquid Sunlight Alliance, California Institute of Technology, Pasadena, CA 91125, USA]","Suram, Santosh K. [Toyota Research Institute, Los Altos, CA 94022, USA] (ORCID:0000000181702685)","Gregoire, John M. [Division of Engineering and Applied Science, California Institute of Technology, Pasadena, CA 91125, USA, Liquid Sunlight Alliance, California Institute of Technology, Pasadena, CA 91125, USA] (ORCID:0000000228635265)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2635-098X","other_identifiers":["Journal ID: ISSN 2635-098X; DDIIAI"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2275013"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2275013"}]}, {"osti_id":"2317791","title":"Non-mercury methylating microbial taxa are integral to understanding links between mercury methylation and elemental cycles in marine and freshwater sediments","doi":"10.1016/j.envpol.2024.123573","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Environmental Pollution; Journal Volume: 346; Journal Issue: 4","description":"The goal of this study was to explore the role of non-mercury (Hg) methylating taxa in mercury methylation and to identify potential links between elemental cycles and Hg methylation. Statistical approaches were utilized to investigate the microbial community and biochemical functions in relation to methylmercury (MeHg) concentrations in marine and freshwater sediments. Sediments were collected from the methylation zone (top 15 cm) in four Hg-contaminated sites. Both abiotic (e.g., sulfate, sulfide, iron, salinity, total organic matter, etc.) and biotic factors (e.g., hgcA, abundances of methylating and non-methylating taxa) were quantified. Random forest and stepwise regression were performed to assess whether non-methylating taxa were significantly associated with MeHg concentration. Co-occurrence and functional network analyses were constructed to explore associations between taxa by examining microbial community structure, composition, and biochemical functions across sites. Regression analysis showed that approximately 80% of the variability in sediment MeHg concentration was predicted by total mercury concentration, the abundances of Hg methylating taxa, and the abundances of the non-Hg methylating taxa. The co-occurrence networks identified Paludibacteraceae and Syntrophorhabdaceae as keystone non Hg methylating taxa in multiple sites, indicating the potential for syntrophic interactions with Hg methylators. Strong associations were also observed between methanogens and sulfate-reducing bacteria, which were likely symbiotic associations. The functional network results suggested that non-Hg methylating taxa play important roles in sulfur respiration, nitrogen respiration, and the carbon metabolism-related functions methylotrophy, methanotrophy, and chemoheterotrophy. Interestingly, keystone functions varied by site and did not involve carbon- and sulfur-related functions only. In conclusion, our findings highlight associations between methylating and non-methylating taxa and sulfur, carbon, and nitrogen cycles in sediment methylation zones, with implications for predicting and understanding the impact of climate and land/sea use changes on Hg methylation.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Elsevier","journal_name":"Environmental Pollution","journal_issue":"4","journal_volume":"346","format":"Medium: ED; Size: Article No. 123573","authors":["Wang, Yong-Li [Texas Tech Univ., Lubbock, TX (United States)] (ORCID:0000000340390210)","Ikuma, Kaoru [Iowa State Univ., Ames, IA (United States)] (ORCID:0000000337157821)","Brooks, Scott C. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Varonka, Matthew S. [US Geological Survey, Reston, VA (United States)]","Deonarine, Amrika [Texas Tech Univ., Lubbock, TX (United States)] (ORCID:0000000290665377)"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0269-7491","other_identifiers":["Journal ID: ISSN 0269-7491"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317791"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317791"}]}, {"osti_id":"2305429","title":"Reinforcement learning for block decomposition of planar CAD models","doi":"10.1007/s00366-023-01940-6","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Engineering with Computers","description":"<title>Abstract<\/title>\n <p>The problem of hexahedral mesh generation of general CAD models has vexed researchers for over 3 decades and analysts often spend more than 50% of the design-analysis cycle time decomposing complex models into simpler blocks meshable by existing techniques. The decomposed blocks are required for generating good quality meshes (tilings of quadrilaterals or hexahedra) suitable for numerical simulations of physical systems governed by conservation laws. We present a novel AI-assisted method for decomposing (segmenting) planar CAD (computer-aided design) models into well shaped rectangular blocks. Even though the simple examples presented here can also be meshed using many conventional methods, we believe this work is proof-of-principle of a AI-based decomposition method that can eventually be generalized to complex 2D and 3D CAD models. Our method uses reinforcement learning to train an agent to perform a series of optimal cuts on the CAD model that result in a good quality block decomposition. We show that the agent quickly learns an effective strategy for picking the location and direction of the cuts and maximizing its rewards. This paper is the first successful demonstration of an agent autonomously learning how to perform this block decomposition task effectively, thereby holding the promise of a viable method to automate this challenging process for more complex cases.<\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Engineering with Computers","format":"Medium: X","authors":["DiPrete, Benjamin C.","Garimella, Rao (ORCID:0000000238122105)","Cardona, Cristina Garcia","Ray, Navamita"],"article_type":"Published Article","doe_contract_number":"LDRD 20230270ER","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0177-0667","other_identifiers":["Journal ID: ISSN 0177-0667; PII: 1940"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305429"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305429"}]}, {"osti_id":"2315665","title":"Nonadiabatic transitions during a passage near a critical point","report_number":"LA-UR-23-34012","doi":"10.1063/5.0191933","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Chemical Physics; Journal Volume: 160; Journal Issue: 7","description":"The passage through a critical point of a many-body quantum system leads to abundant nonadiabatic excitations. Here, we explore a regime, in which the critical point is not crossed although the system is passing slowly very close to it. Here, we show that the leading exponent for the excitation probability can then be obtained by standard arguments of the Dykhne formula, but the exponential prefactor is no longer simple and behaves as a power law on the characteristic transition rate. We derive this prefactor for the nonlinear Landau–Zener model by adjusting Dykhne’s approach. Then, we introduce an exactly solvable model of the transition near a critical point in the Stark ladder. We derive the number of excitations for it without approximations and find qualitatively similar results for the excitation scaling.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Journal of Chemical Physics","journal_issue":"7","journal_volume":"160","format":"Medium: ED; Size: Article No. 074104","authors":["Sinitsyn, Nikolai A. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000207460400)","Sadhasivam, Vijay Ganesh [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Univ. of Cambridge (United Kingdom)] (ORCID:0000000275420961)","Suzuki, Fumika [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000349825970)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","quantum phase transition","ferromagnetism","phase transitions","Bose-Einstein condensate","adiabatic theorem"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"},{"name":"US Department of Energy (USDOE), Washington, DC (United States). Office of Science, Advanced Scientific Computing Research (ASCR)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)","US Department of Energy (USDOE), Washington, DC (United States). Office of Science, Advanced Scientific Computing Research (ASCR)"],"journal_issn":"ISSN 0021-9606","other_identifiers":["Journal ID: ISSN 0021-9606"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315665"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315665"}]}, {"osti_id":"2317733","title":"Structural and Spectroscopic Properties of Butanediol-Modified Boehmite Materials","report_number":"SAND-2024-02426J","doi":"10.1021/acs.jpcc.3c07838","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry. C; Journal Volume: 128; Journal Issue: 8","description":"Glycoboehmite (GB) materials are synthesized by a solvothermal reaction to form layered aluminum oxyhydroxide (boehmite) modified by intercalated butanediol molecules. These hybrid materials offer a platform to design materials with potentially novel sorption, wetting, and catalytic properties. Several synthetic methods have been used, resulting in different structural and spectroscopic properties, but atomistic detail is needed to determine the interlayer structure to explore the synthetic control of GB materials. Here, in this study, we use classical molecular dynamics (MD) simulations to compare the structural properties of GB interlayers containing chemisorbed butanediol molecules as a function of diol loading. Accompanying quantum (density functional theory, DFT) static calculations and MD simulations are used to validate the classical model and compute the infrared spectra of various models. Classical MD results reveal the existence of two unique interlayer environments at higher butanediol loading, corresponding to smaller (cross-linked) and expanded interlayers. DFT-computed infrared spectra reveal the sensitivity of the aluminol O–H stretch frequencies to the interlayer environment, consistent with the spectrum of the synthesized material. Insight from these simulations will aid in the characterization of the newly synthesized GB materials.","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry. C","journal_issue":"8","journal_volume":"128","format":"Medium: ED; Size: p. 3533-3542","authors":["Greathouse, Jeffery A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000242473362)","Weck, Philippe F. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000276102893)","Bell, Nelson S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)]","Kruichak-Duhigg, Jessica Nicole [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)]","Matteo, Edward N. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)]"],"subjects":["chemical structure","diols","layered materials","layers","oscillation"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Nuclear Energy (NE), Office of Spent Fuel and Waste Disposition"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Nuclear Energy (NE), Office of Spent Fuel and Waste Disposition"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 1932-7447","other_identifiers":["Journal ID: ISSN 1932-7447"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317733"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317733"}]}, {"osti_id":"2305438","title":"Indications of flat bands driving the\n <i>δ<\/i>\n to\n <i>α<\/i>\n volume collapse of plutonium","doi":"10.1073/pnas.2308729121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 8","description":"<p>\n On cooling from the melt, plutonium (Pu) undergoes a series of structural transformations accompanied by a ≈ 28% reduction in volume from its\n <italic>δ<\/italic>\n phase to its\n <italic>α<\/italic>\n phase at low temperatures. While Pu’s partially filled 5\n <italic>f<\/italic>\n -electron shells are known to be involved, their precise role in the transformations has remained unclear. By using calorimetry measurements on\n <italic>α<\/italic>\n -Pu and gallium-stabilized\n <italic>δ<\/italic>\n -Pu combined with resonant ultrasound and X-ray scattering data to account for the anomalously large softening of the lattice with temperature, we show here that the difference in electronic entropy between the\n <italic>α<\/italic>\n and\n <italic>δ<\/italic>\n phases dominates over the difference in phonon entropy. Rather than finding an electronic specific heat characteristic of broad\n <italic>f<\/italic>\n -electron bands in\n <italic>α<\/italic>\n -Pu, as might be expected to occur within a Kondo collapsed phase in analogy with cerium, we find it to be indicative of flatter subbands. An important role played by Pu’s 5\n <italic>f<\/italic>\n electrons in the formation of its larger unit cell\n <italic>α<\/italic>\n phase comprising inequivalent lattice sites and varying bond lengths is therefore suggested.\n <\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"8","journal_volume":"121","format":"Medium: X","authors":["Harrison, Neil [MPA-MAGLAB, Los Alamos National Laboratory, Los Alamos, NM 87545] (ORCID:0000000154567756)","Chappell, Greta L. [MPA-MAGLAB, Los Alamos National Laboratory, Los Alamos, NM 87545, MST-16, Los Alamos National Laboratory, Los Alamos, NM 87545]","Tobash, Paul H. [MST-16, Los Alamos National Laboratory, Los Alamos, NM 87545]"],"article_type":"Published Article","doe_contract_number":"XXN0; LANLF101","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2308729121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305438"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305438"}]}, {"osti_id":"2281638","title":"Dissociative electron attachment to carbon tetrachloride probed by velocity map imaging","doi":"10.1039/D3CP04834A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 7","description":"<p>\n Bond-breaking in CCl\n <sub>4<\/sub>\n <italic>via<\/italic>\n dissociative electron attachment (DEA) has been studied using a velocity map imaging (VMI) spectrometer.\n <\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"7","journal_volume":"26","format":"Medium: X; Size: p. 5783-5792","authors":["Paul, Anirban [Indian Institute of Science Education and Research Kolkata, Mohanpur 741246, India] (ORCID:0000000302440870)","Nandi, Dhananjay [Indian Institute of Science Education and Research Kolkata, Mohanpur 741246, India, Center for Atomic, Molecular and Optical Sciences & Technologies, Joint Initiative of IIT Tirupati & IISER Tirupati, Yerpedu, 517619, Andhra Pradesh, India] (ORCID:0000000258966364)","Slaughter, Daniel S. [Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA] (ORCID:0000000246214552)","Fedor, Juraj [J. Heyrovský Institute of Physical Chemistry, Czech Academy of Sciences, 182 23, Dolejškova 2155/3, Prague, Czech Republic] (ORCID:0000000245499680)","Nag, Pamir [J. Heyrovský Institute of Physical Chemistry, Czech Academy of Sciences, 182 23, Dolejškova 2155/3, Prague, Czech Republic] (ORCID:0000000215306104)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281638"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281638"}]}, {"osti_id":"2287718","title":"Elucidating the chemical dynamics of the elementary reactions of the 1-propynyl radical (CH\n <sub>3<\/sub>\n CC; X\n <sup>2<\/sup>\n A\n <sub>1<\/sub>\n ) with 2-methylpropene ((CH\n <sub>3<\/sub>\n )\n <sub>2<\/sub>\n CCH\n <sub>2<\/sub>\n ; X\n <sup>1<\/sup>\n A\n <sub>1<\/sub>\n )","doi":"10.1039/D3CP05872G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 7","description":"<p>Exploiting the crossed molecular beam technique, we studied the reaction of the 1-propynyl radical with 2-methylpropene (isobutylene) preferentially leading to trimethylvinylacetylene. This reaction is feasible in cold molecular clouds.<\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"7","journal_volume":"26","format":"Medium: X; Size: p. 6448-6457","authors":["Medvedkov, Iakov A. [Department of Chemistry, University of Hawai‘i at Manoa, Honolulu, HI 96822, USA] (ORCID:0000000306722090)","Nikolayev, Anatoliy A. [Samara National Research University, Samara 443086, Russia] (ORCID:0000000217333704)","Yang, Zhenghai [Department of Chemistry, University of Hawai‘i at Manoa, Honolulu, HI 96822, USA]","Goettl, Shane J. [Department of Chemistry, University of Hawai‘i at Manoa, Honolulu, HI 96822, USA] (ORCID:0000000317965725)","Mebel, Alexander M. [Department of Chemistry and Biochemistry, Florida International University, Miami, Florida 33199, USA] (ORCID:0000000272333133)","Kaiser, Ralf I. [Department of Chemistry, University of Hawai‘i at Manoa, Honolulu, HI 96822, USA] (ORCID:0000000272337206)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287718"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287718"}]}, {"osti_id":"2305423","title":"Iodide manipulation using zinc additives for efficient perovskite solar minimodules","doi":"10.1038/s41467-024-45649-6","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Interstitial iodides are the most critical type of defects in perovskite solar cells that limits efficiency and stability. They can be generated during solution, film, and device processing, further accelerating degradation. Herein, we find that introducing a small amount of a zinc salt- zinc trifluoromethane sulfonate (Zn(OOSCF\n <sub>3<\/sub>\n )\n <sub>2<\/sub>\n ) in the perovskite solution can control the iodide defects in resultant perovskites ink and films. CF\n <sub>3<\/sub>\n SOO\n <sup>̶<\/sup>\n vigorously suppresses molecular iodine formation in the perovskites by reducing it to iodide. At the same time, zinc cations can precipitate excess iodide by forming a Zn-Amine complex so that the iodide interstitials in the resultant perovskite films can be suppressed. The perovskite films using these additives show improved photoluminescence quantum efficiency and reduce deep trap density, despite zinc cations reducing the perovskite grain size and iodide interstitials. The zinc additives facilitate the formation of more uniform perovskite films on large-area substrates (78-108 cm\n <sup>2<\/sup>\n ) in the blade-coating process. Fabricated minimodules show power conversion efficiencies of 19.60% and 19.21% with aperture areas of 84 and 108 cm\n <sup>2<\/sup>\n , respectively, as certified by National Renewable Energy Laboratory (NREL), the highest efficiency certified for minimodules of these sizes.\n <\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Uddin, Md Aslam (ORCID:0000000297802864)","Rana, Prem Jyoti Singh","Ni, Zhenyi (ORCID:0000000283799182)","Yang, Guang (ORCID:0000000309949178)","Li, Mingze","Wang, Mengru (ORCID:0000000318642207)","Gu, Hangyu (ORCID:0000000303789185)","Zhang, Hengkai","Dou, Benjia Dak","Huang, Jinsong (ORCID:0000000205098778)"],"article_type":"Published Article","doe_contract_number":"38050","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1355; PII: 45649"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305423"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305423"}]}, {"osti_id":"2281037","title":"DNA transfer between two different species mediated by heterologous cell fusion in\n <i>Clostridium<\/i>\n coculture","doi":"10.1128/mbio.03133-23","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: mBio (Online) Journal Volume: 15 Journal Issue: 2","description":"<p>\n Investigations of natural multispecies microbiomes and synthetic microbial cocultures are attracting renewed interest for their potential application in biotechnology, ecology, and medical fields. Previously, we have shown the syntrophic coculture of\n <italic>C. acetobutylicum<\/italic>\n and\n <italic>C. ljungdahlii<\/italic>\n undergoes heterologous cell-to-cell fusion, which facilitates the exchange of cytoplasmic protein and RNA between the two organisms. We now show that heterologous cell fusion between the two Clostridium organisms can facilitate the exchange of DNA. By applying selective pressures to this coculture system, we isolated clones of wild-type\n <italic>C. acetobutylicum<\/italic>\n which acquired the erythromycin resistance (erm) gene from the\n <italic>C. ljungdahlii<\/italic>\n strain carrying a plasmid with the erm gene. Single-molecule real-time sequencing revealed that the erm gene was integrated into the genome in a mosaic fashion. Our data also support the persistence of hybrid\n <italic>C. acetobutylicum<\/italic>\n /\n <italic>C. ljungdahlii<\/italic>\n cells displaying hybrid DNA-methylation patterns.\n <\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"American Society for Microbiology","journal_name":"mBio (Online)","journal_issue":"2","journal_volume":"15","format":"Medium: X","authors":["Charubin, Kamil [Department of Chemical and Biomolecular Engineering, The Delaware Biotechnology Institute, University of Delaware, Newark, Delaware, USA]","Hill, John D. [Department of Chemical and Biomolecular Engineering, The Delaware Biotechnology Institute, University of Delaware, Newark, Delaware, USA] (ORCID:0000000161273238)","Papoutsakis, Eleftherios Terry [Department of Chemical and Biomolecular Engineering, The Delaware Biotechnology Institute, University of Delaware, Newark, Delaware, USA] (ORCID:0000000210771277)","Lovley, ed., Derek R."],"article_type":"Published Article","doe_contract_number":"AR0001505","subjects":[],"orgs_sponsor":[{"name":"USDOE Advanced Research Projects Agency - Energy (ARPA-E)"}],"sponsor_orgs":["USDOE Advanced Research Projects Agency - Energy (ARPA-E)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2150-7511","other_identifiers":["Journal ID: ISSN 2150-7511; e03133-23"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281037"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281037"}]}, {"osti_id":"2305436","title":"Tuning the Microenvironment of Water Confined in Ti\n <sub>3<\/sub>\n C\n <sub>2<\/sub>\n T\n <sub>\n <i>x<\/i>\n <\/sub>\n MXene by Cation Intercalation","doi":"10.1021/acs.jpcc.4c00247","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry. C Journal Volume: 128 Journal Issue: 7","description":"The local microenvironment has recently been found to play a major role in the electrocatalytic activity of nanomaterials. Modulating the microenvironment by adding alkali metal cations into the electrolyte can be used to either suppress hydrogen or oxygen evolution, thereby extending the electrochemical window of energy storage systems, or to tune the selectivity of electrocatalysts. MXenes are a large family of twodimensional transition metal carbides, nitrides, and carbonitrides that have shown potential for use in electrochemical energy storage applications. Due to their negatively charged surfaces, MXenes can accommodate cations and water molecules between the layers. Nevertheless, the nature of the aqueous microenvironment in the MXene interlayer space is poorly understood. Here, we apply Fourier transform infrared spectroscopy (FTIR) to probe the hydrogen bonding of intercalated water in Ti<sub>3<\/sub>C<sub>2<\/sub>T<sub>x<\/sub> as a function of intercalated cation and relative humidity. Substantial changes in the FTIR spectra after cation exchange demonstrate that the hydrogen bonding of water molecules confined between the MXene layers is strongly cation-dependent. Furthermore, the IR absorbance of the confined water correlates with resistivity estimated by 4-point probe measurements and interlayer distance calculated from XRD patterns. This work demonstrates that cation intercalation strongly modulates the confined microenvironment, which can be used to tune the activity or selectivity of electrochemical reactions in the interlayer space of MXenes in the future.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry. C","journal_issue":"7","journal_volume":"128","format":"Medium: X; Size: p. 2803-2813","authors":["Lounasvuori, Mailis [Nanoscale Solid−Liquid Interfaces, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Str. 15, 12489 Berlin, Germany] (ORCID:0000000197384642)","Zhang, Teng [A.J. Drexel Nanomaterials Institute and Department of Materials Science and Engineering, Drexel University, 3141 Chestnut Street, Philadelphia, Pennsylvania 19104, United States] (ORCID:0000000249390594)","Gogotsi, Yury [A.J. Drexel Nanomaterials Institute and Department of Materials Science and Engineering, Drexel University, 3141 Chestnut Street, Philadelphia, Pennsylvania 19104, United States] (ORCID:0000000194234032)","Petit, Tristan [Nanoscale Solid−Liquid Interfaces, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Str. 15, 12489 Berlin, Germany] (ORCID:000000026504072X)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Cations","Humidity","Layered materials","Molecules","Two dimensional materials"],"article_type":"Published Article","doe_contract_number":"SC0018618","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH (Germany)"}],"research_orgs":["Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH (Germany)"],"journal_issn":"ISSN 1932-7447","other_identifiers":["Journal ID: ISSN 1932-7447"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305436"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305436"}]}, {"osti_id":"2281756","title":"Reproducibility in materials informatics: lessons from ‘A general-purpose machine learning framework for predicting properties of inorganic materials’","doi":"10.1039/D3DD00199G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Digital Discovery Journal Volume: 3 Journal Issue: 2","description":"<p>Reproducing results from a foundational materials informatics tool (magpie) is difficult and in this study, a failure. This failure yields tangible suggestions to promote easy adoption and trust of materials informatics in the future.<\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Digital Discovery","journal_issue":"2","journal_volume":"3","format":"Medium: X; Size: p. 281-286","authors":["Persaud, Daniel [Department of Materials Science and Engineering, University of Toronto, Canada] (ORCID:0009000499802704)","Ward, Logan [Data Science and Learning Division, Argonne National Laboratory, USA] (ORCID:0000000213235939)","Hattrick-Simpers, Jason [Department of Materials Science and Engineering, University of Toronto, Canada, Acceleration Consortium, University of Toronto, Canada] (ORCID:0000000329373188)"],"article_type":"Published Article","doe_contract_number":"17-SC-20-SC","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2635-098X","other_identifiers":["Journal ID: ISSN 2635-098X; DDIIAI"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281756"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281756"}]}, {"osti_id":"2281026","title":"The crystal orientation of THF clathrates in nano-confinement by\n <i>in situ<\/i>\n polarized Raman spectroscopy","doi":"10.1039/D3LC00884C","product_type":"Journal Article","language":"English","country_publication":"France","relation":"Journal Name: Lab on a chip (Print) Journal Volume: 24 Journal Issue: 4","description":"<p>\n Measurement of the local crystal orientation of THF hydrates within anodic aluminum oxide nanopores using microfluidics and\n <italic>in situ<\/italic>\n polarized Raman spectroscopy.\n <\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Lab on a chip (Print)","journal_issue":"4","journal_volume":"24","format":"Medium: X; Size: p. 798-809","authors":["Sharma, Mrityunjay K. [Department of Chemical & Biomolecular Engineering, NYU Tandon School of Engineering, Brooklyn, NY, 11201, USA] (ORCID:0000000265392610)","Leong, Xin Ning [Department of Chemical & Biomolecular Engineering, NYU Tandon School of Engineering, Brooklyn, NY, 11201, USA]","Koh, Carolyn A. [Center for Hydrate Research, Department of Chemical & Biological Engineering, Colorado School of Mines, Golden, CO, 80401, USA] (ORCID:0000000334524032)","Hartman, Ryan L. [Department of Chemical & Biomolecular Engineering, NYU Tandon School of Engineering, Brooklyn, NY, 11201, USA] (ORCID:0000000253649933)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1473-0197","other_identifiers":["Journal ID: ISSN 1473-0197; LCAHAM"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281026"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281026"}]}, {"osti_id":"2316012","title":"Comparing the influence of cation order and composition in simulated Zn(Sn, Ge)N<sub>2<\/sub> on structure, elastic moduli, and polarization for solid state lighting","report_number":"NREL/JA-5900-88021","doi":"10.1063/5.0187547","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Applied Physics; Journal Volume: 135; Journal Issue: 7","description":"Alloying and site ordering play complementary roles in dictating a material’s properties. However, deconvolving the impacts of these separate phenomena can be challenging. In this work, we simulate structures of Zn(Sn,Ge)N<sub>2<\/sub> with varied Sn content and site ordering to determine the impacts of order and composition on structural and electronic properties. We assess the formation enthalpy, lattice parameters, elastic constants, spontaneous polarization, and piezoelectric coefficients. In mostly disordered structures (order parameters ranging from 0.2 to 0.4), the formation enthalpy exhibits local extrema as a function of the order parameter, deviating from the more linear trends seen in both fully disordered and fully ordered systems. This anomalous deviation from the otherwise linear trend in formation enthalpy with order manifests in each of the other properties calculated. This range of order parameters of interest may be caused by a transition in the ordering of the quaternary material similar to phase changes seen in ternary compounds but stretched over a region inclduing 20% of the order parameter range. Most parameters calculated are more sensitive to order than to composition in the limited composition range tested; however, the lattice parameter c, piezoelectric coefficient e<sub>33<\/sub>, and elastic moduli C<sub>12<\/sub>, C<sub>13<\/sub>, and C<sub>23<\/sub> are more sensitive to composition. Of the properties compared, the piezoelectric coefficients are influenced most significantly by changes in both the composition and order parameter. Lattice parameters undergo the smallest changes with order and composition, but these small differences appear to impart large trends in the other properties. Better understanding the effects of disorder and group IV alloying in Zn(Sn,Ge)N<sub>2<\/sub> allows for more accurate modeling of characteristics of this material system for solid state lighting and other applications.","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Journal of Applied Physics","journal_issue":"7","journal_volume":"135","format":"Medium: ED; Size: Article No. 075001","authors":["Cordell, Jacob J. [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:0000000195924633)","Lany, Stephan [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:0000000281278885)","Tellekamp, M. Brooks [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:0000000335351831)"],"subjects":["71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS","LED","Monte Carlo","nitrides","polarization","simulation"],"article_type":"Accepted Manuscript","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Building Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Building Technologies Office"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 0021-8979","other_identifiers":["Journal ID: ISSN 0021-8979; MainId:88796;UUID:4c10370d-8bd6-499f-be35-14082554c91c;MainAdminId:71921"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316012"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2316012"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316012"}]}, {"osti_id":"2315656","title":"Prediction of the SYM-H Index Using a Bayesian Deep Learning Method With Uncertainty Quantification","report_number":"LA-UR-23-22618","doi":"10.1029/2023sw003824","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Space Weather (Online); Journal Volume: 22; Journal Issue: 2","description":"We propose a novel deep learning framework, named SYMHnet, which employs a graph neural network and a bidirectional long short-term memory network to cooperatively learn patterns from solar wind and interplanetary magnetic field parameters for short-term forecasts of the SYM-H index based on 1- and 5-min resolution data. SYMHnet takes, as input, the time series of the parameters\' values provided by NASA\'s Space Science Data Coordinated Archive and predicts, as output, the SYM-H index value at time point t + w hours for a given time point t where w is 1 or 2. By incorporating Bayesian inference into the learning framework, SYMHnet can quantify both aleatoric (data) uncertainty and epistemic (model) uncertainty when predicting future SYM-H indices. Experimental results show that SYMHnet works well at quiet time and storm time, for both 1- and 5-min resolution data. The results also show that SYMHnet generally performs better than related machine learning methods. For example, SYMHnet achieves a forecast skill score (FSS) of 0.343 compared to the FSS of 0.074 of a recent gradient boosting machine (GBM) method when predicting SYM-H indices (1 hr in advance) in a large storm (SYM-H = -393 nT) using 5-min resolution data. When predicting the SYM-H indices (2 hr in advance) in the large storm, SYMHnet achieves an FSS of 0.553 compared to the FSS of 0.087 of the GBM method. In addition, SYMHnet can provide results for both data and model uncertainty quantification, whereas the related methods cannot.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Geophysical Union","journal_name":"Space Weather (Online)","journal_issue":"2","journal_volume":"22","format":"Medium: ED; Size: Article No. e2023SW003824","authors":["Abduallah, Yasser [New Jersey Institute of Technology (NJIT), Newark, NJ (United States)]","Alobaid, Khalid A. [New Jersey Institute of Technology (NJIT), Newark, NJ (United States); King Saud Univ., Riyadh (Saudi Arabia)]","Wang, Jason L. [New Jersey Institute of Technology (NJIT), Newark, NJ (United States)] (ORCID:0000000224861097)","Wang, Haimin [New Jersey Institute of Technology (NJIT), Newark, NJ (United States)]","Jordanova, Vania Koleva [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000304758743)","Yurchyshyn, Vasyl [New Jersey Institute of Technology (NJIT), Newark, NJ (United States)]","Cavus, Huseyin [Canakkale Onsekiz Mart University (Turkey); Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States)]","Jing, Ju [New Jersey Institute of Technology (NJIT), Newark, NJ (United States)]"],"subjects":["79 ASTRONOMY AND ASTROPHYSICS","heliospheric physics","magnetospheric physics"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001; AGS-1927578; AGS-1954737; AGS-2149748; AGS-2228996; AGS-2300341; OAC-2320147","orgs_sponsor":[{"name":"USDOE"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE","National Science Foundation (NSF)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 1542-7390","other_identifiers":["Journal ID: ISSN 1542-7390"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315656"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2315656"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315656"}]}, {"osti_id":"2323292","title":"Adaptive variational simulation for open quantum systems","doi":"10.22331/q-2024-02-13-1252","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Quantum; Journal Volume: 8","description":"Emerging quantum hardware provides new possibilities for quantum simulation. While much of the research has focused on simulating closed quantum systems, the real-world quantum systems are mostly open. Therefore, it is essential to develop quantum algorithms that can effectively simulate open quantum systems. Here we present an adaptive variational quantum algorithm for simulating open quantum system dynamics described by the Lindblad equation. The algorithm is designed to build resource-efficient ansatze through the dynamical addition of operators by maintaining the simulation accuracy. We validate the effectiveness of our algorithm on both noiseless simulators and IBM quantum processors and observe good quantitative and qualitative agreement with the exact solution. We also investigate the scaling of the required resources with system size and accuracy and find polynomial behavior. Our results demonstrate that near-future quantum processors are capable of simulating open quantum systems.","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Quantum Science Open Community","journal_name":"Quantum","journal_volume":"8","format":"Medium: ED; Size: Article No. 1252","authors":["Chen, Huo [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000284054596)","Gomes, Niladri [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000327626866)","Niu, Siyuan [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:000000034683381X)","Jong, Wibe de [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000271148315)"],"subjects":["97 MATHEMATICS AND COMPUTING"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-05CH11231; AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2521-327X","other_identifiers":["Journal ID: ISSN 2521-327X; ark:/13030/qt1n16s3n1"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323292"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2323292"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323292"}]}, {"osti_id":"2322534","title":"Filtering higher-order datasets","report_number":"PNNL-SA-184779","doi":"10.1088/2632-072x/ad253a","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physics. Complexity; Journal Volume: 5; Journal Issue: 1","description":"Many complex systems often contain interactions between more than two nodes, known as higher-order interactions, which can change the structure of these systems in significant ways. Researchers often assume that all interactions paint a consistent picture of a higher-order dataset\'s structure. In contrast, the connection patterns of individuals or entities in empirical systems are often stratified by interaction size. Ignoring this fact can aggregate connection patterns that exist only at certain scales of interaction. To isolate these scale-dependent patterns, we present an approach for analyzing higher-order datasets by filtering interactions by their size. We apply this framework to several empirical datasets from three domains to demonstrate that data practitioners can gain valuable information from this approach.","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"IOP Publishing","journal_name":"Journal of Physics. Complexity","journal_issue":"1","journal_volume":"5","format":"Medium: ED; Size: Article No. 015006","authors":["Landry, Nicholas W. [University of Vermont, Burlington, VT (United States); University of Colorado, Boulder, CO (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000312704980)","Amburg, Ilya [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000316325427)","Shi, Mirah [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); University of Pennsylvania, Philadelphia, PA (United States)] (ORCID:0009000021624945)","Aksoy, Sinan G. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000234663334)"],"subjects":["higher-order networks","hypergraphs","filtering","data analysis"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; 2121905; 1P20 GM125498-01","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"National Science Foundation (NSF)"},{"name":"National Institutes of Health (NIH)"}],"sponsor_orgs":["USDOE Office of Science (SC)","National Science Foundation (NSF)","National Institutes of Health (NIH)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2632-072X","other_identifiers":["Journal ID: ISSN 2632-072X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322534"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2322534"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322534"}]}, {"osti_id":"2322383","title":"Tethered balloon-borne observations of thermal-infrared irradiance and cooling rate profiles in the Arctic atmospheric boundary layer","doi":"10.5194/acp-24-1961-2024","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Atmospheric Chemistry and Physics (Online); Journal Volume: 24; Journal Issue: 3","description":"Clouds play an important role in controlling the radiative energy budget of the Arctic atmospheric boundary layer. To quantify the impact of clouds on the radiative heating or cooling of the lower atmosphere and of the surface, vertical profile observations of thermal-infrared irradiances were collected using a radiation measurement system carried by a tethered balloon. We present 70 profiles of thermal-infrared radiative quantities measured in summer 2020 during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition and in autumn 2021 and spring 2022 in Ny-Ålesund, Svalbard. Measurements are classified into four groups: cloudless, low-level liquid-bearing cloud, elevated liquid-bearing cloud, and elevated ice cloud. Cloudless cases display an average radiative cooling rate of about —2 K <sup>d—1<\/sup> throughout the atmospheric boundary layer. Instead, low-level liquid-bearing clouds are characterized by a radiative cooling up to —80 K <sup>d—1<\/sup> within a shallow layer at cloud top, while no temperature tendencies are identified underneath the cloud layer. Radiative transfer simulations are performed to quantify the sensitivity of radiative cooling rates to cloud microphysical properties. In particular, cloud top cooling is strongly driven by the liquid water path, especially in optically thin clouds, while for optically thick clouds the cloud droplet number concentration has an increased influence. Additional radiative transfer simulations are used to demonstrate the enhanced radiative importance of the liquid relative to ice clouds. To analyze the temporal evolution of thermal-infrared radiation profiles during the transitions from a cloudy to a cloudless atmosphere, a respective case study is investigated.","availability":"ORNL","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Copernicus Publications, EGU","journal_name":"Atmospheric Chemistry and Physics (Online)","journal_issue":"3","journal_volume":"24","format":"Medium: ED; Size: p. 1961-1978","authors":["Lonardi, Michael [Univ. of Leipzig (Germany)] (ORCID:0000000332458668)","Akansu, Elisa F. [Leibniz Inst. for Tropospheric Research (ITR), Leipzig (Germany)] (ORCID:0000000258695752)","Ehrlich, André [Univ. of Leipzig (Germany)] (ORCID:0000000308608216)","Mazzola, Mauro [National Research Council (CNR), Bologna (Italy). Inst. of Polar Sciences (ISP)] (ORCID:0000000283942292)","Pilz, Christian [Leibniz Inst. for Tropospheric Research (ITR), Leipzig (Germany)] (ORCID:0000000200201254)","Shupe, Matthew D. [Univ. of Colorado, Boulder, CO (United States). Cooperative Inst. for Research in Environmental Sciences (CIRES); National Oceanic and Atmospheric Administration (NOAA), Boulder, CO (United States)] (ORCID:0000000209739982)","Siebert, Holger [Leibniz Inst. for Tropospheric Research (ITR), Leipzig (Germany)]","Wendisch, Manfred [Univ. of Leipzig (Germany)] (ORCID:0000000246525561)"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0021341; OPP-1724551; NA22OAR4320151","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Science Foundation (NSF)"},{"name":"National Oceanic and Atmospheric Administration (NOAA)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Science Foundation (NSF)","National Oceanic and Atmospheric Administration (NOAA)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1680-7324","other_identifiers":["Journal ID: ISSN 1680-7324"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322383"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2322383"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322383"}]}, {"osti_id":"2305428","title":"Importance of Site Diversity and Connectivity in Electrochemical CO Reduction on Cu","doi":"10.1021/acscatal.3c05904","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Catalysis Journal Volume: 14 Journal Issue: 5","description":"Electrochemical CO<sub>2<\/sub> reduction on Cu is a promising approach to produce value-added chemicals using renewable feedstocks, yet various Cu preparations have led to differences in activity and selectivity toward single and multicarbon products. Here, we find, surprisingly, that the effective catalytic activity toward ethylene improves when there is a larger fraction of less active sites acting as reservoirs of *CO on the surface of Cu nanoparticle electrocatalysts. In an adaptation of chemical transient kinetics to electrocatalysis, we measure the dynamic response of a gas diffusion electrode (GDE) cell when the feed gas is abruptly switched between Ar (inert) and CO. When switching from Ar to CO, CO reduction (COR) begins promptly, but when switching from CO to Ar, COR can be maintained for several seconds (delay time) despite the absence of the CO reactant in the gas phase. A three-site microkinetic model captures the observed dynamic behavior and shows that Cu catalysts exhibiting delay times have a less active *CO reservoir that exhibits fast diffusion to active sites. The observed delay times and the estimated *CO reservoir sizes are affected by catalyst preparation, applied potential, and microenvironment (electrolyte cation identity, electrolyte pH, and CO partial pressure). Notably, we estimate that the *CO reservoir surface coverage can be as high as 88 ± 7% on oxide-derived Cu (OD-Cu) at high overpotentials (–1.52 V vs SHE) and this increases in reservoir coverage coincide with increased turnover frequencies to ethylene. We also estimate that *CO can travel substantial distances (up to 10s of nm) prior to desorption or reaction. It appears that active C–C coupling sites by themselves do not control selectivity to C<sub>2+<\/sub> products in electrochemical COR; the supply of CO to those sites is also a crucial factor. More generally, the overall activity of Cu electrocatalysts cannot be approximated from linear combinations of individual site activities. Future designs must consider the diversity of the catalyst network and account for intersite transportation pathways.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Catalysis","journal_issue":"5","journal_volume":"14","format":"Medium: X; Size: p. 3128-3138","authors":["Kim, Chansol [Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST), 291 Daehak-ro,\rYuseong-gu, Daejeon 34141, South Korea, Clean Energy Research Center, Korea Institute of Science and Technology (KIST), Seoul 02792, South Korea]","Govindarajan, Nitish [Materials Science Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States] (ORCID:0000000332275183)","Hemenway, Sydney [Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Department of Materials Science and Engineering, University of California, Berkeley, Berkeley, California 94720, United States] (ORCID:0000000268088235)","Park, Junho [Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Department of Materials Science and Engineering, University of California, Berkeley, Berkeley, California 94720, United States]","Zoraster, Anya [Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Department of Chemical and Biochemical Engineering, University of California, Berkeley, Berkeley, California 94720, United States]","Kong, Calton J. [Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Department of Materials Science and Engineering, University of California, Berkeley, Berkeley, California 94720, United States] (ORCID:0000000303133565)","Prabhakar, Rajiv Ramanujam [Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000245989073)","Varley, Joel B. [Materials Science Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States] (ORCID:0000000253845248)","Jung, Hee-Tae [Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST), 291 Daehak-ro,\rYuseong-gu, Daejeon 34141, South Korea] (ORCID:0000000257276732)","Hahn, Christopher [Materials Science Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States] (ORCID:0000000227726341)","Ager, Joel W. [Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Department of Materials Science and Engineering, University of California, Berkeley, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000193349751)"],"subjects":["electrocatalysis","chemical transient kinetics","CO reduction","microkinetic modeling","catalytic mechanism","animal feed","catalysts","defects","diffusion","electrical properties"],"article_type":"Published Article","doe_contract_number":"SC0023427; AC02-05CH11231; AC52-07NA27344; 2021K1A4A8A01079356; 2020M3H7A1098229","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"},{"name":"KAIST-UC Berkeley-VNU Climate Change Research Center"},{"name":"“Carbon to X Project”"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)","KAIST-UC Berkeley-VNU Climate Change Research Center","“Carbon to X Project”"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 2155-5435","other_identifiers":["Journal ID: ISSN 2155-5435"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305428"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305428"}]}, {"osti_id":"2248116","title":"Homologous acetone carboxylases select Fe(II) or Mn(II) as the catalytic cofactor","doi":"10.1128/mbio.02987-23","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: mBio (Online) Journal Volume: 15 Journal Issue: 2","description":"<p>The Irving-Williams series refers to the predicted stabilities of transition metal complexes where the observed general stability for divalent first-row transition metal complexes increase across the row. Acetone carboxylases (ACs) use a coordinated divalent metal at their active site in the catalytic conversion of bicarbonate and acetone to form acetoacetate. Highly homologous ACs discriminate among different divalent metals at their active sites such that variations of the enzyme prefer Mn(II) over Fe(II), defying Irving-Williams-predicted behavior. Defining the determinants that promote metal discrimination within the first-row transition metals is of broad fundamental importance in understanding metal-mediated catalysis and metal catalyst design.<\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"American Society for Microbiology","journal_name":"mBio (Online)","journal_issue":"2","journal_volume":"15","format":"Medium: X","authors":["Shisler, Krista A. [Institute of Biological Chemistry, Washington State University, Pullman, Washington, USA]","Kincannon, William M. [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA]","Mattice, Jenna R. [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA]","Larson, James [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA]","Valaydon-Pillay, Adam [Department of Chemistry, University of Idaho, Moscow, Idaho, USA]","Mus, Florence [Institute of Biological Chemistry, Washington State University, Pullman, Washington, USA, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, Oklahoma, USA]","Flusche, Tamara [Department of Chemistry and Biochemistry, University of Oklahoma, Norman, Oklahoma, USA]","Kumar Nath, Arnab [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA]","Stoian, Sebastian A. [Department of Chemistry, University of Idaho, Moscow, Idaho, USA]","Raugei, Simone [Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington, USA]","Bothner, Brian [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA] (ORCID:0000000312959609)","DuBois, Jennifer L. [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA] (ORCID:0000000155933391)","Peters, John W. [Institute of Biological Chemistry, Washington State University, Pullman, Washington, USA, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, Oklahoma, USA, Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington, USA] (ORCID:0000000191179568)","Harwood, ed., Caroline S."],"article_type":"Published Article","doe_contract_number":"SC0018143","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2150-7511","other_identifiers":["Journal ID: ISSN 2150-7511; e02987-23"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2248116"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2248116"}]}, {"osti_id":"2301779","title":"The impacts of rising vapour pressure deficit in natural and managed ecosystems","doi":"10.1111/pce.14846","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Plant, Cell and Environment","description":"<title>Abstract<\/title>\n <p>An exponential rise in the atmospheric vapour pressure deficit (VPD) is among the most consequential impacts of climate change in terrestrial ecosystems. Rising VPD has negative and cascading effects on nearly all aspects of plant function including photosynthesis, water status, growth and survival. These responses are exacerbated by land–atmosphere interactions that couple VPD to soil water and govern the evolution of drought, affecting a range of ecosystem services including carbon uptake, biodiversity, the provisioning of water resources and crop yields. However, despite the global nature of this phenomenon, research on how to incorporate these impacts into resilient management regimes is largely in its infancy, due in part to the entanglement of VPD trends with those of other co‐evolving climate drivers. Here, we review the mechanistic bases of VPD impacts at a range of spatial scales, paying particular attention to the independent and interactive influence of VPD in the context of other environmental changes. We then evaluate the consequences of these impacts within key management contexts, including water resources, croplands, wildfire risk mitigation and management of natural grasslands and forests. We conclude with recommendations describing how management regimes could be altered to mitigate the otherwise highly deleterious consequences of rising VPD.<\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"Plant, Cell and Environment","format":"Medium: X","authors":["Novick, Kimberly A. [O\'Neill School of Public and Environmental Affairs Indiana University Bloomington Indiana USA] (ORCID:0000000284310879)","Ficklin, Darren L. [Department of Geography Indiana University Bloomington Indiana USA]","Grossiord, Charlotte [Plant Ecology Research Laboratory (PERL), School of Architecture Civil and Environmental Engineering (EPFL) Lausanne Switzerland, Community Ecology Unit, Swiss Federal Institute for Forest Snow and Landscape WSL Lausanne Switzerland] (ORCID:0000000291133671)","Konings, Alexandra G. [Department of Earth System Science Stanford University Stanford California USA]","Martínez‐Vilalta, Jordi [CREAF Bellaterra Catalonia Spain, Universitat Autònoma de Barcelona Bellaterra Catalonia Spain]","Sadok, Walid [Department of Agronomy and Plant Genetics University of Minnesota St. Paul Minnesota USA] (ORCID:0000000196372412)","Trugman, Anna T. [Department of Geography University of California Santa Barbara California USA]","Williams, A. Park [Department of Geography University of California Los Angeles California USA]","Wright, Alexandra J. [Department of Biological Sciences California State University Los Angeles Los Angeles California USA]","Abatzoglou, John T. [Management of Complex Systems Department University of California Merced California USA]","Dannenberg, Matthew P. [Department of Geographical and Sustainability Sciences University of Iowa Iowa City Iowa USA]","Gentine, Pierre [Department of Earth and Environmental Engineering Columbia University New York New York USA, Center for Learning the Earth with Artificial Intelligence and Physics (LEAP) Columbia University New York New York USA]","Guan, Kaiyu [Agroecosystem Sustainability Center, Institute for Sustainability, Energy, and Environment University of Illinois Urbana‐Champaign Urbana Illinois USA, Department of Natural Resources and Environmental Sciences, College of Agricultural, Consumers, and Environmental Sciences University of Illinois Urbana‐Champaign Urbana Illinois USA, National Center for Supercomputing Applications University of Illinois Urbana‐Champaign Urbana Illinois USA]","Johnston, Miriam R. [Department of Geographical and Sustainability Sciences University of Iowa Iowa City Iowa USA]","Lowman, Lauren E. L. [Department of Engineering Wake Forest University Winston‐Salem North Carolina USA] (ORCID:0000000329607095)","Moore, David J. P. [School of Natural Resources and the Environment University of Arizona Tucson Arizona USA]","McDowell, Nate G. [Atmospheric Sciences &, Global Change Division Pacific Northwest National Laboratory Richland Washington USA, School of Biological Sciences Washington State University Pullman Washington USA] (ORCID:0000000221782254)"],"article_type":"Published Article","doe_contract_number":"DE‐SC0021980; DE‐SC0022302","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0140-7791","other_identifiers":["Journal ID: ISSN 0140-7791; pce.14846"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301779"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301779"}]}, {"osti_id":"2301778","title":"CRISPR-COPIES: an\n <i>in silico<\/i>\n platform for discovery of neutral integration sites for CRISPR/Cas-facilitated gene integration","doi":"10.1093/nar/gkae062","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nucleic Acids Research","description":"<title>Abstract<\/title>\n <p>The CRISPR/Cas system has emerged as a powerful tool for genome editing in metabolic engineering and human gene therapy. However, locating the optimal site on the chromosome to integrate heterologous genes using the CRISPR/Cas system remains an open question. Selecting a suitable site for gene integration involves considering multiple complex criteria, including factors related to CRISPR/Cas-mediated integration, genetic stability, and gene expression. Consequently, identifying such sites on specific or different chromosomal locations typically requires extensive characterization efforts. To address these challenges, we have developed CRISPR-COPIES, a COmputational Pipeline for the Identification of CRISPR/Cas-facilitated intEgration Sites. This tool leverages ScaNN, a state-of-the-art model on the embedding-based nearest neighbor search for fast and accurate off-target search, and can identify genome-wide intergenic sites for most bacterial and fungal genomes within minutes. As a proof of concept, we utilized CRISPR-COPIES to characterize neutral integration sites in three diverse species: Saccharomyces cerevisiae, Cupriavidus necator, and HEK293T cells. In addition, we developed a user-friendly web interface for CRISPR-COPIES (https://biofoundry.web.illinois.edu/copies/). We anticipate that CRISPR-COPIES will serve as a valuable tool for targeted DNA integration and aid in the characterization of synthetic biology toolkits, enable rapid strain construction to produce valuable biochemicals, and support human gene and cell therapy applications.<\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Oxford University Press","journal_name":"Nucleic Acids Research","format":"Medium: X","authors":["Boob, Aashutosh Girish","Zhu, Zhixin","Intasian, Pattarawan","Jain, Manan","Petrov, Vassily Andrew","Lane, Stephan Thomas","Tan, Shih-I","Xun, Guanhua","Zhao, Huimin (ORCID:0000000290696739)"],"subjects":["synthetic biology and assembly cloning","computational methods","targeted gene modification"],"article_type":"Published Article","doe_contract_number":"SC0018420","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Univ. of Illinois at Urbana-Champaign, IL (United States)"},{"name":"Center for Advanced Bioenergy and Bioproducts Innovation (CABBI), Urbana, IL (United States)"}],"research_orgs":["Univ. of Illinois at Urbana-Champaign, IL (United States)","Center for Advanced Bioenergy and Bioproducts Innovation (CABBI), Urbana, IL (United States)"],"journal_issn":"ISSN 0305-1048","other_identifiers":["Journal ID: ISSN 0305-1048; gkae062"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301778"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301778"}]}, {"osti_id":"2308877","title":"Shared governance in the plant holobiont and implications for one health","doi":"10.1093/femsec/fiae004","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: FEMS Microbiology Ecology (Online) Journal Volume: 100 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>The holobiont Holobiont theory is more than 80 years old, while the importance of microbial communities for plant holobionts was already identified by Lorenz Hiltner more than a century ago. Both concepts are strongly supported by results from the new field of microbiome research. Here, we present ecological and genetic features of the plant holobiont that underpin principles of a shared governance between hosts and microbes and summarize the relevance of plant holobionts in the context of global change. Moreover, we uncover knowledge gaps that arise when integrating plant holobionts in the broader perspective of the holobiome as well as one and planetary health concepts. Action is needed to consider interacting holobionts at the holobiome scale, for prediction and control of microbiome function to improve human and environmental health outcomes.<\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"Oxford University Press","journal_name":"FEMS Microbiology Ecology (Online)","journal_issue":"3","journal_volume":"100","format":"Medium: X","authors":["Berg, Gabriele","Dorador, Cristina","Egamberdieva, Dilfuza","Kostka, Joel E.","Ryu, Choong-Min (ORCID:0000000272761189)","Wassermann, Birgit (ORCID:0000000162701345)"],"article_type":"Published Article","doe_contract_number":"SC0023297","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1574-6941","other_identifiers":["Journal ID: ISSN 1574-6941; fiae004"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308877"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308877"}]}, {"osti_id":"2317787","title":"Mixed Enthalpy–Entropy Descriptor for the Rational Design of Synthesizable High-Entropy Materials Over Vast Chemical Spaces","doi":"10.1021/jacs.4c00209","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society; Journal Volume: 146; Journal Issue: 8","description":"The practically unlimited high-dimensional composition space of high-entropy materials (HEMs) has emerged as an exciting platform for functional material design and discovery. However, the identification of stable and synthesizable HEMs and robust design rules remains a daunting challenge. Here, we propose a mixed enthalpy–entropy descriptor (MEED) that enables highly efficient, robust, high-throughput prediction of synthesizable HEMs across vast chemical spaces from first-principles. The MEED is based on two parameters: the relative formation enthalpy with respect to the most stable competing compound and the spread of the point-defect formation energy spectrum. The former measures the relative synthesizability of an HEM to its most stable competing phase, going beyond the conventional thermodynamic understanding. Further, the latter gauges the relative entropy forming ability of an HEM, entailing no sampling over numerous alloy configurations. By applying the MEED to two structurally distinct representative material systems (i.e., 3D rocksalt carbides and 2D layered sulfides), we not only successfully identify all experimentally reported HEMs within these systems but also reveal a cutoff criterion for assessing their relative synthesizability within each system. By the MEED, tens of new high-entropy carbides and 2D high-entropy sulfides are also predicted, which have the potential for a wide variety of applications such as coating in aerospace devices, energy conversion and storage, and flexible electronics.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"Journal of the American Chemical Society","journal_issue":"8","journal_volume":"146","format":"Medium: ED; Size: p. 5142-5151","authors":["Dey, Dibyendu [Univ. of Maine, Orono, ME (United States)] (ORCID:0000000226393266)","Liang, Liangbo [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000311990049)","Yu, Liping [Univ. of Maine, Orono, ME (United States); Univ. of Central Florida, Orlando, FL (United States)] (ORCID:0000000196549193)"],"subjects":["36 MATERIALS SCIENCE","Defects","Energy","Inorganic carbon compounds","Metals","Sulfides","high entropy carbides, 2D high entropy materials, materials prediction, synthesizability"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; SC0021127; 2127630","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Compute and Data Environment for Science (CADES)"},{"name":"Univ. of Maine, Orono, ME (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Compute and Data Environment for Science (CADES)","Univ. of Maine, Orono, ME (United States)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317787"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317787"}]}, {"osti_id":"2319041","title":"Anti-reflection coating with mullite and Duroid for large-diameter cryogenic sapphire and alumina optics","doi":"10.1364/AO.515508","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Optics Journal Volume: 63 Journal Issue: 6","description":"<p>We developed a broadband two-layer anti-reflection (AR) coating for use\n\t\t\t\t\ton a sapphire half-wave plate (HWP) and an alumina infrared (IR)\n\t\t\t\t\tfilter for the cosmic microwave background (CMB) polarimetry.\n\t\t\t\t\tMeasuring the faint CMB B-mode signals requires maximizing the number\n\t\t\t\t\tof photons reaching the detectors and minimizing spurious polarization\n\t\t\t\t\tdue to reflection with an off-axis incident angle. Sapphire and\n\t\t\t\t\talumina have high refractive indices of 3.1 and are highly reflective\n\t\t\t\t\twithout an AR coating. This paper presents the design, fabrication,\n\t\t\t\t\tquality control, and measured performance of an AR coating using\n\t\t\t\t\tthermally sprayed mullite and Duroid 5880LZ. This technology enables\n\t\t\t\t\tlarge optical elements with diameters of 600 mm. We also\n\t\t\t\t\tpresent a thermography-based nondestructive quality control technique,\n\t\t\t\t\twhich is key to assuring good adhesion and preventing delamination\n\t\t\t\t\twhen thermal cycling. We demonstrate the average reflectance of about\n\t\t\t\t\t2.6% (0.9%) for two observing bands centered at 90/150 (220/280) GHz.\n\t\t\t\t\tAt room temperature, the average transmittance of a 105 mm\n\t\t\t\t\tsquare test sample at 220/280 GHz is 83%, and it will increase\n\t\t\t\t\tto 90% at 100 K, attributed to reduced absorption losses.\n\t\t\t\t\tTherefore, our developed layering technique has proved effective for\n\t\t\t\t\t220/280 GHz applications, particularly in addressing dielectric\n\t\t\t\t\tloss concerns. This AR coating technology has been deployed in the\n\t\t\t\t\tcryogenic HWP and IR filters of the Simons Array and the Simons\n\t\t\t\t\tobservatory experiments and applies to future experiments such as\n\t\t\t\t\tCMB-S4.<\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Optical Society of America","journal_name":"Applied Optics","journal_issue":"6","journal_volume":"63","format":"Medium: X; Size: Article No. 1618","authors":["Sakaguri, Kana (ORCID:0000000156678118)","Hasegawa, Masaya","Sakurai, Yuki","Sugiyama, Junna","Farias, Nicole","Hill, Charles A. (ORCID:0000000226416878)","Johnson, Bradley R.","Konishi, Kuniaki (ORCID:0000000323899787)","Kusaka, Akito (ORCID:0009000496312451)","Lee, Adrian T.","Matsumura, Tomotake","Wollack, Edward J. (ORCID:0000000275674451)","Yumoto, Junji"],"article_type":"Published Article","doe_contract_number":"AC0205CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1559-128X","other_identifiers":["Journal ID: ISSN 1559-128X; APOPAI"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319041"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319041"}]}, {"osti_id":"2316021","title":"Succinonitrile-Lithium Salt Complexes as Solid Catholytes for LLZO-Based Solid-State Batteries","doi":"10.1149/1945-7111/ad24da","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society; Journal Volume: 171; Journal Issue: 2","description":"The thermal and electrochemical properties of several succinonitrile (SN)-based organic ionic plastic crystals (OIPCs) containing lithium bis(trifluoromethanesulfonyl)imide (LiTFSI), lithium bis(oxalate) borate (LiBOB) or mixtures of the two salts, were investigated with the goal of determining which is most promising for use as a catholyte in solid-state lithium batteries. The best combination of properties for this use was found for the mixture containing 3 mol% LiTFSI and 2 mol% LiBOB in SN. Based on these observations, several solid-state cells containing Al-substituted Li<sub>7<\/sub>La<sub>3<\/sub>Zr<sub>2<\/sub>O<sub>12<\/sub> separators with composite cathodes consisting of LiNi<sub>0.33<\/sub>Mn<sub>0.33<\/sub>Co<sub>0.33<\/sub>O<sub>2<\/sub> (NMC111), carbon black, and the succinonitrile-salt mixtures were assembled and cycled at room temperature, without exogenous pressure, using a simple design.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"IOP Publishing","journal_name":"Journal of the Electrochemical Society","journal_issue":"2","journal_volume":"171","format":"Medium: ED; Size: Article No. 020524","authors":["Go, Wooseok [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000194707186)","Tucker, Michael C. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:000000028508499X)","Doeff, Marca M. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000221488047)"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651; ark:/13030/qt1142r95n"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316021"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2316021"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316021"}]}, {"osti_id":"2301758","title":"Addressing quantum’s “fine print” with efficient state preparation and information extraction for quantum algorithms and geologic fracture networks","doi":"10.1038/s41598-024-52759-0","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Scientific Reports Journal Volume: 14 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Quantum algorithms provide an exponential speedup for solving certain classes of linear systems, including those that model geologic fracture flow. However, this revolutionary gain in efficiency does not come without difficulty. Quantum algorithms require that problems satisfy not only algorithm-specific constraints, but also application-specific ones. Otherwise, the quantum advantage carefully attained through algorithmic ingenuity can be entirely negated. Previous work addressing quantum algorithms for geologic fracture flow has illustrated core algorithmic approaches while incrementally removing assumptions. This work addresses two further requirements for solving geologic fracture flow systems with quantum algorithms: efficient system state preparation and efficient information extraction. Our approach to addressing each is consistent with an overall exponential speed-up.<\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: X","authors":["Henderson, Jessie M.","Kath, John","Golden, John K.","Percus, Allon G.","O’Malley, Daniel"],"article_type":"Published Article","doe_contract_number":"LANLE3W1; LDRD 20220077ER","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; 3592; PII: 52759"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301758"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301758"}]}, {"osti_id":"2301713","title":"Sensitive Thermochromic Behavior of InSeI, a Highly Anisotropic and Tubular 1D van der Waals Crystal","doi":"10.1002/adma.202312597","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Materials","description":"<title>Abstract<\/title>\n <p>\n Thermochromism, the change in color of a material with temperature, is the fundamental basis of optical thermometry. A longstanding challenge in realizing sensitive optical thermometers for widespread use is identifying materials with pronounced thermometric optical performance in the visible range. Herein, it is demonstrated that single crystals of indium selenium iodide (InSeI), a 1D van der Waals (vdW) solid consisting of weakly bound helical chains, exhibit considerable visible range thermochromism. A strong temperature‐dependent optical band edge absorption shift ranging from 450 to 530 nm (2.8 to 2.3 eV) over a 380 K temperature range with an experimental (d\n <italic>E<\/italic>\n <sub>g<\/sub>\n /d\n <italic>T<\/italic>\n )\n <sub>max<\/sub>\n value extracted to be 1.26 × 10\n <sup>−3<\/sup>\n eV K\n <sup>−1<\/sup>\n is shown. This value lies appreciably above most dense conventional semiconductors in the visible range and is comparable to soft lattice solids. The authors further seek to understand the origin of this unusually sensitive thermochromic behavior and find that it arises from strong electron–phonon interactions and anharmonic phonons that significantly broaden band edges and lower the\n <italic>E<\/italic>\n <sub>g<\/sub>\n with increasing temperature. The identification of structural signatures resulting in sensitive thermochromism in 1D vdW crystals opens avenues in discovering low‐dimensional solids with strong temperature‐dependent optical responses across broad spectral windows, dimensionalities, and size regimes.\n <\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Materials","format":"Medium: X","authors":["Cordova, Dmitri Leo Mesoza [Department of Chemistry University of California Irvine CA 92697 USA]","Zhou, Yinong [Department of Physics and Astronomy University of California Irvine CA 92697 USA]","Milligan, Griffin M. [Department of Chemistry University of California Irvine CA 92697 USA]","Cheng, Leo [Department of Chemistry University of California Irvine CA 92697 USA]","Kerr, Tyler [Department of Chemistry University of California Irvine CA 92697 USA]","Ziller, Joseph [Department of Chemistry University of California Irvine CA 92697 USA]","Wu, Ruqian [Department of Physics and Astronomy University of California Irvine CA 92697 USA]","Arguilla, Maxx Q. [Department of Chemistry University of California Irvine CA 92697 USA] (ORCID:0000000199480814)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0935-9648","other_identifiers":["Journal ID: ISSN 0935-9648; 2312597"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301713"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301713"}]}, {"osti_id":"2301819","title":"Accelerating structural dynamics simulations with localised phenomena through matrix compression and projection‐based model order reduction","doi":"10.1002/nme.7445","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: International Journal for Numerical Methods in Engineering","description":"<title>Abstract<\/title>\n <p>In this work, a novel approach is introduced for accelerating the solution of structural dynamics problems in the presence of localised phenomena, such as cracks. For this category of problems, conventional projection‐based Model Order Reduction (MOR) methods are either limited with respect to the range of system configurations that can be represented or require frequent solutions of the Full Order Model (FOM) to update the low‐dimensional spaces, in which solutions are represented. In the proposed approach, low‐dimensional spaces, constructed for the healthy structure, are enriched with appropriately selected columns of the flexibility matrix of the system. It can be shown that these spaces contain the solution to the original problem for the static case, while their dimension is much smaller. In order to allow their online construction for arbitrary localised features, the full flexibility matrix of the system should be available. To this end, a hierarchical representation is used for the matrices involved, allowing to compute the flexibility matrix efficiently and with reduced memory requirements. The resulting method offers significant speedups, without sacrificing the flexibility and accuracy of the full order model. The performance and limitations of the approach are studied through a series of examples in structural dynamics.<\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"International Journal for Numerical Methods in Engineering","format":"Medium: X","authors":["Agathos, Konstantinos [Department of Engineering University of Exeter Exeter UK]","Vlachas, Konstantinos [Department of Civil, Environmental, and Geomatic Engineering ETH Zurich Zurich Switzerland]","Garland, Anthony [Applied Machine Intelligence Sandia National Laboratories Albuquerque New Mexico USA]","Chatzi, Eleni [Department of Civil, Environmental, and Geomatic Engineering ETH Zurich Zurich Switzerland]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5981","other_identifiers":["Journal ID: ISSN 0029-5981; e7445"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301819"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301819"}]}, {"osti_id":"2305411","title":"Crystallographic Disorder and Strong Magnetic Anisotropy in Dy\n <sub>3<\/sub>\n Pt\n <sub>2<\/sub>\n Sb\n <sub>4.48<\/sub>","doi":"10.1021/acs.inorgchem.3c01850","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Inorganic Chemistry Journal Volume: 63 Journal Issue: 8","description":"We report the crystal growth and characterization of a rare-earth-containing material, Dy<sub>3.00(1)<\/sub>Pt<sub>2<\/sub>Sb<sub>4.48(2)<\/sub>. This compound possesses a similar structure to the previously reported Y<sub>3<\/sub>Pt<sub>4<\/sub>Ge<sub>6<\/sub>, but it lacks two layers of Pt atoms. Crystallographic disorder was found in Dy<sub>3.00(1)<\/sub>Pt<sub>2<\/sub>Sb<sub>4.48(2)<\/sub>. Additionally, the Dy–Dy framework was found to have both square net and triangular lattices. Dy<sub>3.00(1)<\/sub>Pt<sub>2<\/sub>Sb<sub>4.48(2)8<\/sub> was determined to be antiferromagnetically ordered around ~15 K while a competing antiferromagnetic sublattice also exists at lower temperature. Strong magnetic anisotropy was observed, and several metamagnetic transitions were seen in the hysteresis loops. Furthermore, the Curie–Weiss fitting revealed an unusually small effective moment of Dy, which is far below the expected value of Dy<sup>3+<\/sup> (10.65 μ<sub>B<\/sub>). This material might provide a new platform to study the relationship between crystallographic disorder and magnetism.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"American Chemical Society","journal_name":"Inorganic Chemistry","journal_issue":"8","journal_volume":"63","format":"Medium: X; Size: p. 3648-3655","authors":["Paske, Terry [Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States]","Guan, Yingdong [Department of Physics, Pennsylvania State University, University Park, Pennsylvania 16801, United States] (ORCID:0000000213576258)","Wang, Chaoguo [Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States]","Moore, Curtis [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States] (ORCID:0000000233117155)","Mao, Zhiqiang [Department of Physics, Pennsylvania State University, University Park, Pennsylvania 16801, United States] (ORCID:0000000249203293)","Gui, Xin [Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States] (ORCID:0000000306162150)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","crystal structure","crystallography","crystals","magnetic properties","platinum"],"article_type":"Published Article","doe_contract_number":"SC0014208; SC0019068","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Univ. of Pittsburgh, PA (United States)"}],"research_orgs":["Univ. of Pittsburgh, PA (United States)"],"journal_issn":"ISSN 0020-1669","other_identifiers":["Journal ID: ISSN 0020-1669"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305411"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305411"}]}, {"osti_id":"2311308","title":"Ultrasonic Nondestructive Diagnosis of Cylindrical Batteries Under Various Charging Rates","doi":"10.1149/1945-7111/ad2642","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society; Journal Volume: 171; Journal Issue: 2","description":"Lithium-ion batteries have been used increasingly as electrochemical energy storage systems for electronic devices and vehicles. It is important to accurately estimate the state of charge (SoC) of a battery management system to control the battery operation to optimize performance, lifetime, and safety. The current work experimentally leverages ultrasonic diagnostic technology to investigate the SoC of lithium-ion batteries during the charge/discharge processes. A cylindrical-type nickel-cobalt-aluminum (NCA)–based 2500mAh 20A (INR18650-25R) battery was used for ultrasonic measurements with various charge/discharge rates of C/10.4, C/5.2, and C/1.3 at constant currents. The ultrasonic signals were analyzed for extracting wave velocity and wave attenuation. For all the testing rates, wave velocity increased in the charge process and decreased in the discharge process. Further, velocity profiles corresponding to lower rates of C/10.4 and C/5.2 exhibited primary peaks at the maximum SoCs, whereas the absolute wave velocity of C/1.3 rate showed primary peaks that occurred slightly after the SoC peak, indicating a delayed maximum Young\'s modulus. The wave attenuation computed for the C/10.4 rate had local maxima in the charge and discharge processes and depicted negative correlations with SoC, ranging from 0% to 18%, and positive correlations with SoC from 18% to 85%. On the other hand, the wave attenuation curves of the C/1.3 rate showed no local peaks and had negative correlations with SoC, ranging from 0% to 28%, and positive correlations with SoC ranging from 28% to 53%.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"IOP Publishing","journal_name":"Journal of the Electrochemical Society","journal_issue":"2","journal_volume":"171","format":"Medium: ED; Size: Article No. 020522","authors":["Nguyen, Thien D. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000159722006)","Sun, Hongbin [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000230912823)","Amin, Ruhul [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Ramuhalli, Pradeep [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000163721743)","Kweon, Chol-Bum M. [US Dept. of Homeland Security (DHS), Aberdeen Proving Ground, MD (United States). Combat Capabilities Development Command Army Research Laboratory]","Belharouak, Ilias [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]"],"subjects":["25 ENERGY STORAGE","lithium-ion batteries","ultrasonic diagnostics","state of charge","charge/discharge rate","wave velocity","wave attenuation"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE"},{"name":"US Army Research Laboratory (USARL)"}],"sponsor_orgs":["USDOE","US Army Research Laboratory (USARL)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311308"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311308"}]}, {"osti_id":"2311084","title":"Role of Heterointerface in Lithium-Induced Phase Transition in <em>T<\/em><sub>d<\/sub>-WTe<sub>2<\/sub> Nanoflakes","report_number":"BNL-225313-2024-JAAM","doi":"10.1021/acsaelm.3c01329","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Applied Electronic Materials","description":"A new polytype of WTe<sub>2<\/sub> with a bandgap has been recently discovered through the intercalation of lithium into the van der Waals gaps of <em>T<\/em><sub>d<\/sub>-WTe<sub>2<\/sub>. Here, we report the effects of reduced thicknesses and heterointerfaces on the intercalation-induced phase transition in WTe<sub>2<\/sub>. Using in situ Raman spectroscopy during the electrochemical lithiation of WTe<sub>2<\/sub> flakes as a function of flake thickness, we observe that additional electrochemical energy is required for the phase transition of WTe<sub>2<\/sub> from the <em>T<\/em><sub>d<\/sub> phase to the new lithiated <em>T<\/em><sub>d<\/sub>\' phase, going from 0.8 V of the applied electrochemical voltage for a thick flake to 0.5 V and 0.3 V for 7- and 5-layered samples, respectively. We ascribe this suppression of the phase transition to the interfacial interaction between the nanoflake and SiO<sub>2<\/sub>/Si substrate, which plays an increasing role as the sample thickness is reduced. The suppressed kinetics of the phase transition can be mitigated by placing the WTe<sub>2<\/sub> flake on a hexagonal boron nitride (hBN) flake, which facilitates the release of the in-plane strain induced by the phase transition. Importantly, our study underscores the significance of interfacial effects in modulating phase transitions in two-dimensional (2D) materials, suggesting heterogeneous transition pathways, as well as interfacial engineering to control these phase transitions.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"ACS Publications","journal_name":"ACS Applied Electronic Materials","format":"Medium: ED","authors":["Xu, Shiyu [Cornell Univ., Ithaca, NY (United States); Yale Univ., New Haven, CT (United States)] (ORCID:000000023061632X)","Wang, Mengjing [Cornell Univ., Ithaca, NY (United States)]","Bambrick-Santoyo, Maria [Yale Univ., New Haven, CT (United States)]","Evans-Lutterodt, Kenneth [Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)]","Williams, Natalie L. [Cornell Univ., Ithaca, NY (United States)]","Cha, Judy J. [Cornell Univ., Ithaca, NY (United States)] (ORCID:0000000263462814)"],"subjects":["36 MATERIALS SCIENCE","lithium intercalation","phase transition","interface","WTe2−hBN interface","in situ Raman spectroscopy"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0012704; CBET 2240944; NNCI-2025233; DMR-1719875","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)"],"journal_issn":"ISSN 2637-6113","other_identifiers":["Journal ID: ISSN 2637-6113"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311084"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311084"}]}, {"osti_id":"2301685","title":"Clustering Effects on the Structure of Ionomer Solutions: A Combined SANS and Simulations Study","doi":"10.1021/acs.macromol.3c01646","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Macromolecules","description":"Ionic assemblies, or clusters, determine the structure and dynamics of ionizable polymers and enable their many applications. Fundamental to attaining well-defined materials is controlling the balance between van der Waals interactions that govern the backbone behavior and the forces that drive the formation of ionic clusters. Here, using small angle neutron scattering and fully atomistic molecular dynamics simulations, the structure of a model ionomer, sulfonated polystyrene in toluene solutions, was investigated as the cluster cohesion was tweaked by the addition of ethanol. The static structure factor was measured by both techniques and correlated with the size of the ionic clusters as the polymer concentration was varied. The conjunction of SANS results and molecular insight from MD simulations enabled the determination of the structure in these inhomogeneous networks on multiple length scales. Additionally, we find that across the entire concentration range studied, a network driven by the formation of ionic clusters was formed, where the size of the clusters drives the inhomogeneity of these systems. Tweaking the ionic clusters through the addition of ethanol impacts the packing of the sulfonated groups, their shape, and their size distribution, which in turn, affects the structure of these networks.","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"American Chemical Society","journal_name":"Macromolecules","format":"Medium: ED","authors":["Kosgallana, Chathurika [Clemson Univ., SC (United States)]","Senanayake, Manjula [Clemson Univ., SC (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000231390625)","Mohottalalage, Supun S. [Clemson Univ., SC (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Wijesinghe, Sidath [Clemson Univ., SC (United States); Appalachian State University, Boone, NC (United States)] (ORCID:0000000248121034)","He, Lilin [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Grest, Gary S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000252609788)","Perahia, Dvora [Clemson Univ., SC (United States)] (ORCID:0000000284868645)"],"subjects":["36 MATERIALS SCIENCE","77 NANOSCIENCE AND NANOTECHNOLOGY","97 MATHEMATICS AND COMPUTING","Polymers","SANS","Exascale computing","MD simulations"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0019284; AC02-05CH11231; NA0003525","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Clemson Univ., SC (United States)"}],"research_orgs":["Clemson Univ., SC (United States)"],"journal_issn":"ISSN 0024-9297","other_identifiers":["Journal ID: ISSN 0024-9297"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301685"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301685"}]}, {"osti_id":"2222483","title":"Improved biomass feedstock materials handling and feeding engineering data sets, design methods, and modeling/simulation tools","report_number":"DOE-FC-08254-13","doi":"10.2172/2222483","product_type":"Technical Report","language":"English","country_publication":"United States","description":"Forest Concepts led a project to develop a set of tools which enable feedstock handing equipment designers to better understand and model the flowability of bulk particulate biomass materials. The work products included improved flowability mathematical models, data sets used to populate the models, and two new laboratory devices – a biomass-scale true cubical triaxial tester and a biomass-scale gas pycnometer. This work was funded in part by the US Department of Energy under contact DE-EE0008254.","publication_date":"2024-02-16T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","format":"Medium: ED; Size: 96 p.","coverage":"Final","authors":["Lanning, Christopher J. [Forest Concepts, LLC, Auburn, WA (United States)] (ORCID:000000022975555X)","Dooley, James H. [Forest Concepts, LLC, Auburn, WA (United States)] (ORCID:0000000167482858)","Yi, Hojae [Pennsylvania State University, University Park, PA (United States)] (ORCID:0000000263377417)","Wamsley, Matthew J. [Forest Concepts, LLC, Auburn, WA (United States)]","Dooley, Tristan [Forest Concepts, LLC, Auburn, WA (United States)]"],"subjects":["09 BIOMASS FUELS","Biomass","biomass flow","feedstock","integrated biorefineries","flowability","cubical triaxial tester","constitutive flow model","corn stover","Douglas fir","biofuels","energy"],"doe_contract_number":"EE0008254","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Bioenergy Technologies Office (BETO)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Bioenergy Technologies Office (BETO)"],"orgs_research":[{"name":"Forest Concepts, LLC, Auburn, WA (United States)"}],"research_orgs":["Forest Concepts, LLC, Auburn, WA (United States)"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2222483"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2222483"}]}, {"osti_id":"2301785","title":"Disentangling the hydrological and hydraulic controls on streamflow variability in Energy Exascale Earth System Model (E3SM) V2 – a case study in the Pantanal region","doi":"10.5194/gmd-17-1197-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Geoscientific Model Development (Online) Journal Volume: 17 Journal Issue: 3","description":"<p>Abstract. Streamflow variability plays a crucial role in shaping the dynamics and sustainability of Earth\'s ecosystems, which can be simulated and projected by a river routing model coupled with a land surface model. However, the simulation of streamflow at large scales is subject to considerable uncertainties, primarily arising from two related processes: runoff generation (hydrological process) and river routing (hydraulic process). While both processes have impacts on streamflow variability, previous studies only calibrated one of the two processes to reduce biases in the simulated streamflow. Calibration focusing only on one process can result in unrealistic parameter values to compensate for the bias resulting from the other process; thus other water-related variables remain poorly simulated. In this study, we performed several experiments with the land and river components of the Energy Exascale Earth System Model (E3SM) over the Pantanal region to disentangle the hydrological and hydraulic controls on streamflow variability in coupled land–river simulations. Our results show that the generation of subsurface runoff is the most important factor for streamflow variability contributed by the runoff generation process, while floodplain storage effect and main-channel roughness have significant impacts on streamflow variability through the river routing process. We further propose a two-step procedure to robustly calibrate the two processes together. The impacts of runoff generation and river routing on streamflow are appropriately addressed with the two-step calibration, which may be adopted by developers of land surface and earth system models to improve the modeling of streamflow.<\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Geoscientific Model Development (Online)","journal_issue":"3","journal_volume":"17","format":"Medium: X; Size: p. 1197-1215","authors":["Xu, Donghui (ORCID:0000000228592664)","Bisht, Gautam (ORCID:0000000166417595)","Tan, Zeli (ORCID:0000000159582584)","Liao, Chang (ORCID:0000000273488858)","Zhou, Tian (ORCID:0000000315824005)","Li, Hong-Yi (ORCID:0000000298073851)","Leung, L. Ruby (ORCID:0000000232219467)"],"article_type":"Published Article","doe_contract_number":"KP1703110/75415; 830403000/71073","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1991-9603","other_identifiers":["Journal ID: ISSN 1991-9603"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301785"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301785"}]}, {"osti_id":"2308792","title":"Lightning Characteristics Associated With Storm Modes Observed During RELAMPAGO","report_number":"PNNL-SA-192621","doi":"10.1029/2023jd039520","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Geophysical Research: Atmospheres; Journal Volume: 129; Journal Issue: 4","description":"<jats:title>Abstract<\/jats:title><jats:p>Global satellite studies show a maximum in deep convection and lightning downstream of the Andes in subtropical South America. The Remote sensing of Electrification, Lightning, And Mesoscale/microscale Processes with Adaptive Ground Observations (RELAMPAGO) field campaign was designed to investigate the physical processes that contribute to the rapid development of deep convection and mesoscale convective systems (MCSs) in Argentina. A lightning mapping array (LMA) was deployed to Argentina as part of RELAMPAGO to collect lightning observations from extreme storms in the region. This study combines lightning data from the LMA and the Geostationary Lightning Mapper onboard <jats:italic>GOES‐16<\/jats:italic> with 1‐km gridded radar data to examine the electrical characteristics of a variety of convective storms throughout their life cycle observed during RELAMPAGO. Results from the full campaign show 48% of flashes are associated with deep convection that occurs along the eastern edge of the Sierras de Córdoba (SDC) overnight. These flashes are 65 km<jats:sup>2<\/jats:sup> smaller on average compared to stratiform flashes, which occur most frequently 50–100 km east of the SDC in the early morning hours, consistent with the upscale growth of MCSs off the terrain. Analysis of the 13–14 December MCS shows that sharp increases in flash rates correspond to deep and wide convective cores that have high graupel and hail mass, 35‐dBZ volume, and ice water path. This work validates previous satellite studies of lightning in the region, but also provides higher spatial and temporal resolution information across the convective life cycle that has not been available in previous studies.<\/jats:p>","availability":"ORNL","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"American Geophysical Union","journal_name":"Journal of Geophysical Research: Atmospheres","journal_issue":"4","journal_volume":"129","format":"Medium: ED; Size: Article No. e2023JD039520","authors":["Rocque, Marquette N. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0009000903995422)","Deierling, Wiebke [Colorado State Univ., Fort Collins, CO (United States); National Center for Atmospheric Research (NCAR), Boulder, CO (United States)]","Rasmussen, Kristen L. [Colorado State Univ., Fort Collins, CO (United States)]","Albrecht, Rachel Ifanger [Univ. of Sao Paulo (Brazil)] (ORCID:0000000305826568)","Medina, Bruno L. [Texas Tech Univ., Lubbock, TX (United States)]"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0022056; AGS‐1661657; AGS‐2146709; AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"},{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)","Brookhaven National Laboratory (BNL), Upton, NY (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 2169-897X","other_identifiers":["Journal ID: ISSN 2169-897X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308792"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2308792"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308792"}]}, {"osti_id":"1998920","title":"Two-particle Bose-Einstein correlations and their Lévy parameters in PbPb collisions at $\\sqrt{S_{NN}}$ = 5.02 TeV","report_number":"CMS-HIN-21-011; CERN-EP-2023-094; FERMILAB-PUB-23-491-CMS; arXiv:2306.11574","doi":"10.1103/physrevc.109.024914","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. C; Journal Volume: 109; Journal Issue: 2","description":"Two-particle Bose–Einstein momentum correlation functions are studied for charged-hadron pairs in lead-lead collisions at a center-of-mass energy per nucleon pair of $\\sqrt{s_{NN}}$ = 5.02 TeV. The data sample, containing 4.27 × 10<sup>9<\/sup> minimum bias events corresponding to an integrated luminosity of 0.607 nb<sup>-1<\/sup>, was collected by the CMS experiment in 2018. The experimental results are discussed in terms of a Lévy-type source distribution. The parameters of this distribution are extracted as functions of particle pair average transverse mass and collision centrality. These parameters include the Lévy index or shape parameter α, the Lévy scale parameter R, and the correlation strength parameter λ. The source shape, characterized by α, is found to be neither Cauchy nor Gaussian, implying the need for a full Lévy analysis. Similarly to what was previously found for systems characterized by Gaussian source radii, a hydrodynamical scaling is observed for the Lévy R parameter. The λ parameter is studied in terms of the core-halo model.","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. C","journal_issue":"2","journal_volume":"109","format":"Medium: ED; Size: 024914","authors":["Tumasyan, A. [Yerevan Physics Institute, Yerevan (Armenia); CMS Collaboration.et al.] (ORCID:0009000006846742)","Adam, W. (ORCID:0000000190994341)","Andrejkovic, J. W.","Bergauer, T. (ORCID:0000000257860293)","Chatterjee, S. (ORCID:0000000326600349)","Damanakis, K. (ORCID:0000000153892872)","Dragicevic, M. (ORCID:0000000319676783)","Escalante Del Valle, A. (ORCID:0000000297026359)","Hussain, P. S. (ORCID:0000000248255278)","Jeitler, M. (ORCID:0000000251419560)","Krammer, N. (ORCID:0000000205480985)","Lechner, L. (ORCID:0000000230651141)","Liko, D. (ORCID:000000023380473X)","Mikulec, I. (ORCID:0000000303852746)","Paulitsch, P.","Schieck, J. (ORCID:0000000210588093)","Schöfbeck, R. (ORCID:0000000223328784)","Schwarz, D. (ORCID:0000000238217331)","Sonawane, M. (ORCID:0000000305107010)","Templ, S. (ORCID:0000000331375692)","Waltenberger, W. (ORCID:0000000262157228)","Wulz, C. -E. (ORCID:0000000192265812)","Darwish, M. R. (ORCID:0000000328942377)","Janssen, T. (ORCID:0000000239984081)","Kello, T.","Rejeb Sfar, H.","Van Mechelen, P. (ORCID:0000000287319051)","Bols, E. S. (ORCID:0000000285648732)","D\'Hondt, J. (ORCID:0000000295986241)","De Moor, A. (ORCID:0000000159641935)","Delcourt, M. (ORCID:0000000182061787)","El Faham, H. (ORCID:0000000188942390)","Lowette, S. (ORCID:0000000339849987)","Morton, A. (ORCID:0000000299193492)","Müller, D. (ORCID:0000000217524527)","Sahasransu, A. R. (ORCID:0000000315051743)","Tavernier, S. (ORCID:0000000267929522)","Van Doninck, W.","Van Putte, S. (ORCID:0000000315593606)","Vannerom, D. (ORCID:0000000227475095)","Clerbaux, B. (ORCID:0000000185478211)","Dansana, S. (ORCID:0000000277527471)","De Lentdecker, G. (ORCID:0000000151247693)","Favart, L. (ORCID:0000000316457454)","Hohov, D. (ORCID:0000000247601597)","Jaramillo, J. (ORCID:0000000338856608)","Lee, K. (ORCID:0000000308084184)","Mahdavikhorrami, M. (ORCID:0000000282653595)","Makarenko, I. (ORCID:0000000285534508)","Malara, A. (ORCID:0000000186459282)","Paredes, S. (ORCID:0000000184879603)","Pétré, L. (ORCID:0009000079795771)","Postiau, N.","Thomas, L. (ORCID:0000000227563853)","Vanden Bemden, M.","Vander Velde, C. (ORCID:0000000333927294)","Vanlaer, P. (ORCID:0000000279314496)","Dobur, D. (ORCID:0000000300124866)","Knolle, J. (ORCID:0000000247815704)","Lambrecht, L. (ORCID:0000000191081560)","Mestdach, G.","Rendón, C.","Samalan, A.","Skovpen, K. (ORCID:0000000211600621)","Tytgat, M. (ORCID:0000000239902074)","Van Den Bossche, N. (ORCID:0000000329734991)","Vermassen, B.","Wezenbeek, L. (ORCID:000000016952891X)","Benecke, A. (ORCID:0000000302523609)","Bruno, G. (ORCID:0000000188578197)","Bury, F. (ORCID:0000000230772090)","Caputo, C. (ORCID:0000000175224808)","David, P. (ORCID:0000000192609371)","Delaere, C. (ORCID:0000000187076021)","Donertas, I. S. (ORCID:000000017485412X)","Giammanco, A. (ORCID:0000000196408294)","Jaffel, K. (ORCID:0000000174194248)","Jain, Sa (ORCID:0000000150783689)","Lemaitre, V.","Mondal, K. (ORCID:0000000159671245)","Taliercio, A. (ORCID:0000000251196280)","Tran, T. T. (ORCID:000000033060350X)","Vischia, P. (ORCID:0000000270888557)","Wertz, S. (ORCID:0000000286453670)","Alves, G. A. (ORCID:0000000283691446)","Coelho, E. (ORCID:0000000161149907)","Hensel, C. (ORCID:0000000188747624)","Moraes, A. (ORCID:0000000251575686)","Rebello Teles, P. (ORCID:0000000190298506)","Aldá Júnior, W. L. (ORCID:0000000158559817)","Alves Gallo Pereira, M. (ORCID:0000000342967028)","Barroso Ferreira Filho, M. (ORCID:0000000339040571)","Brandao Malbouisson, H. (ORCID:000000021326318X)","Carvalho, W. (ORCID:0000000307386615)","Chinellato, J.","Da Costa, E. M. (ORCID:0000000250166434)","Da Silveira, G. G. (ORCID:0000000335147056)","De Jesus Damiao, D. (ORCID:0000000237691680)","Dos Santos Sousa, V. (ORCID:0000000246819340)","Fonseca De Souza, S. (ORCID:0000000178300837)","Martins, J. (ORCID:0000000221202782)","Mora Herrera, C. (ORCID:0000000339153170)","Mota Amarilo, K. (ORCID:0000000317073348)","Mundim, L. (ORCID:0000000199647805)","Nogima, H. (ORCID:0000000177051066)","Santoro, A. (ORCID:000000020568665X)","Silva Do Amaral, S. M. (ORCID:0000000202099687)","Sznajder, A. (ORCID:0000000169981108)","Thiel, M. (ORCID:0000000171397963)","Vilela Pereira, A. (ORCID:0000000331774626)","Bernardes, C. A. (ORCID:0000000157909563)","Calligaris, L. (ORCID:0000000299519448)","Tomei, T. Perez (ORCID:0000000218095226)","Gregores, E. M. (ORCID:0000000302051672)","Mercadante, P. G. (ORCID:0000000183334302)","Novaes, S. F. (ORCID:0000000304718549)","Padula, Sandra S. (ORCID:0000000330710559)","Aleksandrov, A. (ORCID:0000000169342541)","Antchev, G. (ORCID:0000000332105037)","Hadjiiska, R. (ORCID:0000000318241737)","Iaydjiev, P. (ORCID:0000000163300607)","Misheva, M. (ORCID:0000000348545301)","Rodozov, M.","Shopova, M. (ORCID:0000000166642493)","Sultanov, G. (ORCID:0000000280303866)","Dimitrov, A. (ORCID:000000032899701X)","Ivanov, T. (ORCID:0000000304899191)","Litov, L. (ORCID:0000000285116883)","Pavlov, B. (ORCID:0000000336350646)","Petkov, P. (ORCID:0000000204209480)","Petrov, A. (ORCID:0009000388991514)","Shumka, E. (ORCID:0000000201042574)","Thakur, S. (ORCID:0000000216470360)","Cheng, T. (ORCID:0000000329549315)","Javaid, T. (ORCID:0009000727574054)","Mittal, M. (ORCID:0000000268338521)","Yuan, L. (ORCID:0000000267195397)","Ahmad, M. (ORCID:000000019933995X)","Bauer, G.","Hu, Z. (ORCID:0000000182094343)","Lezki, S. (ORCID:000000026909774X)","Yi, K. (ORCID:0000000224591824)","Chen, G. M. (ORCID:0000000226295420)","Chen, H. S. (ORCID:0000000186728227)","Chen, M. (ORCID:0000000304899669)","Iemmi, F. (ORCID:0000000159114051)","Jiang, C. H.","Kapoor, A. (ORCID:0000000218441504)","Liao, H. (ORCID:0000000201246999)","Liu, Z. -A. (ORCID:0000000228961386)","Milosevic, V. (ORCID:0000000211730696)","Monti, F. (ORCID:0000000158463655)","Sharma, R. (ORCID:0000000311811426)","Tao, J. (ORCID:0000000320063490)","Thomas-Wilsker, J. (ORCID:0000000312934153)","Wang, J. (ORCID:0000000231031083)","Zhang, H. (ORCID:0000000188435209)","Zhao, J. (ORCID:0000000183657726)","Agapitos, A. (ORCID:0000000289531232)","An, Y. (ORCID:0000000312991879)","Ban, Y. (ORCID:0000000219120374)","Levin, A. (ORCID:0000000195654186)","Li, C. (ORCID:0000000263398154)","Li, Q. (ORCID:0000000282900517)","Lyu, X.","Mao, Y.","Qian, S. J. (ORCID:000000020630481X)","Sun, X. (ORCID:0000000344094574)","Wang, D. (ORCID:0000000290131199)","Xiao, J. (ORCID:0000000278603958)","Yang, H.","Lu, M. (ORCID:0000000269993931)","You, Z. (ORCID:0000000183243291)","Lu, N. (ORCID:0000000226316770)","Gao, X. (ORCID:0000000172052318)","Leggat, D.","Okawa, H. (ORCID:0000000225486567)","Zhang, Y. (ORCID:0000000245542554)","Lin, Z. (ORCID:0000000318123474)","Lu, C. (ORCID:0000000274210313)","Xiao, M. (ORCID:0000000196289336)","Avila, C. (ORCID:0000000256102693)","Barbosa Trujillo, D. A.","Cabrera, A. (ORCID:0000000204866296)","Florez, C. (ORCID:0000000232220249)","Fraga, J. (ORCID:0000000251378543)","Mejia Guisao, J. (ORCID:000000021153816X)","Ramirez, F. (ORCID:0000000271780484)","Rodriguez, M. (ORCID:000000029480213X)","Ruiz Alvarez, J. D. (ORCID:0000000233060363)","Giljanovic, D. (ORCID:0009000567926881)","Godinovic, N. (ORCID:0000000246749450)","Lelas, D. (ORCID:0000000282695760)","Puljak, I. (ORCID:0000000173873812)","Antunovic, Z.","Kovac, M. (ORCID:0000000223914599)","Sculac, T. (ORCID:0000000295784105)","Brigljevic, V. (ORCID:0000000158470062)","Chitroda, B. K. (ORCID:0000000202208441)","Ferencek, D. (ORCID:0000000191161202)","Mishra, S. (ORCID:0000000235104833)","Roguljic, M. (ORCID:0000000153113007)","Starodumov, A. (ORCID:0000000195709255)","Susa, T. (ORCID:0000000174302552)","Attikis, A. (ORCID:0000000244433794)","Christoforou, K. (ORCID:0000000322051100)","Konstantinou, S. (ORCID:0000000304087636)","Mousa, J. (ORCID:0000000229782718)","Nicolaou, C.","Ptochos, F. (ORCID:0000000234323452)","Razis, P. A. (ORCID:0000000248550162)","Rykaczewski, H.","Saka, H. (ORCID:0000000176162573)","Stepennov, A. (ORCID:0000000177476582)","Finger, M. (ORCID:0000000278289970)","Finger, M. (ORCID:0000000331552484)","Kveton, A. (ORCID:0000000181971914)","Ayala, E. (ORCID:0000000203639198)","Carrera Jarrin, E. (ORCID:0000000208578507)","Abdalla, H. (ORCID:0000000241777209)","Assran, Y.","Abdullah Al-Mashad, M. (ORCID:0000000273223374)","Mahmoud, M. A. (ORCID:0000000186925458)","Bhowmik, S. (ORCID:000000031260973X)","Dewanjee, R. K. (ORCID:0000000166456244)","Ehataht, K. (ORCID:0000000223874777)","Kadastik, M.","Lange, T. (ORCID:0000000162427331)","Nandan, S. (ORCID:0000000293808919)","Nielsen, C. (ORCID:0000000235328132)","Pata, J. (ORCID:0000000251915759)","Raidal, M. (ORCID:0000000170409491)","Tani, L. (ORCID:0000000265527255)","Veelken, C. (ORCID:000000023364916X)","Eerola, P. (ORCID:0000000232440591)","Kirschenmann, H. (ORCID:0000000173692536)","Osterberg, K. (ORCID:0000000348070414)","Voutilainen, M. (ORCID:0000000252006477)","Bharthuar, S. (ORCID:0000000158719622)","Brücken, E. (ORCID:0000000160668756)","Garcia, F. (ORCID:0000000240237964)","Havukainen, J. (ORCID:0000000328986900)","Kim, M. S. (ORCID:0000000303928691)","Kinnunen, R.","Lampén, T. (ORCID:0000000283984249)","Lassila-Perini, K. (ORCID:0000000255021795)","Lehti, S. (ORCID:0000000313705598)","Lindén, T. (ORCID:0009000248478882)","Lotti, M.","Martikainen, L. (ORCID:0000000316093515)","Myllymäki, M. (ORCID:0000000305103810)","Rantanen, M. m. (ORCID:0000000267640016)","Siikonen, H. (ORCID:0000000320395874)","Tuominen, E. (ORCID:0000000270737767)","Tuominiemi, J. (ORCID:0000000303868633)","Luukka, P. (ORCID:0000000323404641)","Petrow, H. (ORCID:0000000211335485)","Tuuva, T.","Amendola, C. (ORCID:000000024359836X)","Besancon, M. (ORCID:0000000332783671)","Couderc, F. (ORCID:0000000320404099)","Dejardin, M. (ORCID:000900082784615X)","Denegri, D.","Faure, J. L.","Ferri, F. (ORCID:000000029860101X)","Ganjour, S. (ORCID:0000000330909744)","Gras, P. (ORCID:0000000239325967)","Hamel de Monchenault, G. (ORCID:0000000238723592)","Lohezic, V. (ORCID:000900087976851X)","Malcles, J. (ORCID:0000000253885565)","Rander, J.","Rosowsky, A. (ORCID:0000000178036650)","Sahin, M. Ö. (ORCID:0000000164024050)","Savoy-Navarro, A. (ORCID:0000000294815168)","Simkina, P. (ORCID:000000029813372X)","Titov, M. (ORCID:0000000211196614)","Baldenegro Barrera, C. (ORCID:0000000260338885)","Beaudette, F. (ORCID:0000000211948556)","Buchot Perraguin, A. (ORCID:000000028597647X)","Busson, P. (ORCID:0000000160274511)","Cappati, A. (ORCID:0000000343860564)","Charlot, C. (ORCID:0000000240878155)","Damas, F. (ORCID:0000000167934359)","Davignon, O. (ORCID:000000018710992X)","Diab, B. (ORCID:0000000266691698)","Falmagne, G. (ORCID:0000000267623937)","Fontana Santos Alves, B. A. (ORCID:0000000197520624)","Ghosh, S. (ORCID:0009000656925688)","Granier de Cassagnac, R. (ORCID:0000000212757292)","Hakimi, A. (ORCID:0009000820938131)","Harikrishnan, B. (ORCID:0000000301744020)","Liu, G. (ORCID:0000000170020937)","Motta, J. (ORCID:000000030985913X)","Nguyen, M. (ORCID:0000000173057102)","Ochando, C. (ORCID:0000000238361173)","Portales, L. (ORCID:0000000298609185)","Salerno, R. (ORCID:0000000337352707)","Sarkar, U. (ORCID:0000000298924601)","Sauvan, J. B. (ORCID:0000000151873571)","Sirois, Y. (ORCID:0000000153814807)","Tarabini, A. (ORCID:0000000170985317)","Vernazza, E. (ORCID:0000000349572782)","Zabi, A. (ORCID:0000000272140673)","Zghiche, A. (ORCID:0000000211781450)","Agram, J. -L. (ORCID:0000000174760158)","Andrea, J. (ORCID:0000000282987560)","Apparu, D. (ORCID:0009000418370496)","Bloch, D. (ORCID:0000000245355273)","Bourgatte, G. (ORCID:0009000570448104)","Brom, J. -M. (ORCID:0000000302493622)","Chabert, E. C. (ORCID:0000000327977690)","Collard, C. (ORCID:0000000252308387)","Darej, D.","Goerlach, U. (ORCID:0000000189551666)","Grimault, C.","Le Bihan, A. -C. (ORCID:0000000285450187)","Van Hove, P. (ORCID:0000000224313381)","Beauceron, S. (ORCID:0000000280369267)","Blancon, B. (ORCID:0000000190221509)","Boudoul, G. (ORCID:0009000298978439)","Carle, A.","Chanon, N. (ORCID:0000000229395646)","Choi, J. (ORCID:0000000260240992)","Contardo, D. (ORCID:0000000167687466)","Depasse, P. (ORCID:0000000175562743)","Dozen, C. (ORCID:000000024301634X)","El Mamouni, H.","Fay, J. (ORCID:0000000157901780)","Gascon, S. (ORCID:0000000272041624)","Gouzevitch, M. (ORCID:000000025524880X)","Grenier, G. (ORCID:0000000219765877)","Ille, B. (ORCID:0000000286793878)","Laktineh, I. B.","Lethuillier, M. (ORCID:0000000161852045)","Mirabito, L.","Perries, S.","Torterotot, L. (ORCID:0000000253499242)","Vander Donckt, M. (ORCID:0000000292538611)","Verdier, P. (ORCID:0000000330902948)","Viret, S.","Chokheli, D. (ORCID:0000000175354186)","Lomidze, I. (ORCID:0009000239012765)","Tsamalaidze, Z. (ORCID:0000000153773558)","Botta, V. (ORCID:0000000316619513)","Feld, L. (ORCID:0000000198138646)","Klein, K. (ORCID:0000000215467880)","Lipinski, M. (ORCID:0000000268390063)","Meuser, D. (ORCID:0000000227227526)","Pauls, A. (ORCID:0000000281175376)","Röwert, N. (ORCID:0000000247455470)","Teroerde, M. (ORCID:0000000258921377)","Diekmann, S. (ORCID:0009000488670881)","Dodonova, A. (ORCID:0000000251158487)","Eich, N. (ORCID:0000000194944317)","Eliseev, D. (ORCID:0000000158448156)","Erdmann, M. (ORCID:0000000216531303)","Fackeldey, P. (ORCID:0000000349327162)","Fasanella, D. (ORCID:0000000229262691)","Fischer, B. (ORCID:0000000239003482)","Hebbeker, T. (ORCID:000000029736266X)","Hoepfner, K. (ORCID:0000000220088148)","Ivone, F. (ORCID:0000000223885548)","Lee, M. y. (ORCID:0000000244301695)","Mastrolorenzo, L.","Merschmeyer, M. (ORCID:0000000320817141)","Meyer, A. (ORCID:0000000195986623)","Mondal, S. (ORCID:0000000301537590)","Mukherjee, S. (ORCID:0000000163419982)","Noll, D. (ORCID:0000000201762360)","Novak, A. (ORCID:0000000203895896)","Nowotny, F.","Pozdnyakov, A. (ORCID:0000000334789081)","Rath, Y.","Redjeb, W. (ORCID:0000000197948292)","Rehm, F.","Reithler, H. (ORCID:000000034409702X)","Schmidt, A. (ORCID:0000000327118984)","Schuler, S. C.","Sharma, A. (ORCID:0000000252951460)","Stein, A. (ORCID:000000030713811X)","Torres Da Silva De Araujo, F. (ORCID:0000000247853057)","Vigilante, L.","Wiedenbeck, S. (ORCID:0000000246929304)","Zaleski, S.","Dziwok, C. (ORCID:0000000198060244)","Flügge, G. (ORCID:0000000336819272)","Haj Ahmad, W. (ORCID:0000000314910446)","Hlushchenko, O.","Kress, T. (ORCID:0000000227028201)","Nowack, A. (ORCID:0000000235225926)","Pooth, O. (ORCID:0000000164456160)","Stahl, A. (ORCID:0000000283697506)","Ziemons, T. (ORCID:0000000316972130)","Zotz, A. (ORCID:0000000213201712)","Aarup Petersen, H. (ORCID:0009000564827466)","Aldaya Martin, M. (ORCID:0000000315330945)","Alimena, J. (ORCID:0000000160303191)","Asmuss, P.","Baxter, S. (ORCID:0009000841916716)","Bayatmakou, M. (ORCID:0009000299050667)","Becerril Gonzalez, H. (ORCID:000000015387712X)","Behnke, O. (ORCID:0000000242380991)","Bhattacharya, S. (ORCID:0000000231970048)","Blekman, F. (ORCID:0000000273667098)","Borras, K. (ORCID:000000031111249X)","Brunner, D. (ORCID:0000000195180435)","Campbell, A. (ORCID:0000000344395748)","Cardini, A. (ORCID:0000000318030999)","Cheng, C.","Colombina, F. (ORCID:000900087130100X)","Consuegra Rodríguez, S. (ORCID:0000000213831837)","Correia Silva, G. (ORCID:0000000162323591)","De Silva, M. (ORCID:0000000258046226)","Eckerlin, G.","Eckstein, D. (ORCID:0000000273666562)","Estevez Banos, L. I. (ORCID:0000000161953102)","Filatov, O. (ORCID:0000000198506170)","Gallo, E. (ORCID:0000000172005175)","Geiser, A. (ORCID:000000030355102X)","Giraldi, A. (ORCID:0000000344232631)","Greau, G.","Grohsjean, A. (ORCID:0000000307488494)","Guglielmi, V. (ORCID:0000000332407393)","Guthoff, M. (ORCID:000000023974589X)","Jafari, A. (ORCID:0000000173271870)","Jomhari, N. Z. (ORCID:0000000191277408)","Kaech, B. (ORCID:0000000211942306)","Kasemann, M. (ORCID:0000000204292448)","Kaveh, H. (ORCID:0000000232735859)","Kleinwort, C. (ORCID:0000000290179504)","Kogler, R. (ORCID:0000000253364399)","Komm, M. (ORCID:0000000276694294)","Krücker, D. (ORCID:0000000316108844)","Lange, W.","Leyva Pernia, D. (ORCID:0009000987553698)","Lipka, K. (ORCID:0000000284273748)","Lohmann, W. (ORCID:0000000287050857)","Mankel, R. (ORCID:0000000323751563)","Melzer-Pellmann, I. -A. (ORCID:000000017707919X)","Mendizabal Morentin, M. (ORCID:0000000265065177)","Metwally, J.","Meyer, A. B. (ORCID:0000000185322356)","Milella, G. (ORCID:000000022047951X)","Mormile, M. (ORCID:0000000304567250)","Mussgiller, A. (ORCID:0000000283318166)","Nürnberg, A. (ORCID:0000000278763134)","Otarid, Y.","Pérez Adán, D. (ORCID:0000000334160726)","Ranken, E. (ORCID:0000000174725029)","Raspereza, A. (ORCID:000000032167498X)","Ribeiro Lopes, B. (ORCID:000000030823447X)","Rübenach, J.","Saggio, A. (ORCID:0000000273853317)","Savitskyi, M. (ORCID:0000000299529267)","Scham, M. (ORCID:0000000194942151)","Scheurer, V.","Schnake, S. (ORCID:0000000334096584)","Schütze, P. (ORCID:0000000348026990)","Schwanenberger, C. (ORCID:0000000166996662)","Shchedrolosiev, M. (ORCID:0000000335102093)","Sosa Ricardo, R. E. (ORCID:0000000222406699)","Stafford, D.","Tonon, N. (ORCID:0000000343012688)","Van De Klundert, M. (ORCID:0000000185962812)","Vazzoler, F. (ORCID:0000000181119318)","Velyka, A.","Ventura Barroso, A. (ORCID:0000000332336636)","Walsh, R. (ORCID:0000000238724114)","Walter, D. (ORCID:0000000185849705)","Wang, Q. (ORCID:0000000310148677)","Wen, Y. (ORCID:0000000287249604)","Wichmann, K.","Wiens, L. (ORCID:0000000244234461)","Wissing, C. (ORCID:0000000250908004)","Wuchterl, S. (ORCID:0000000199559258)","Yang, Y. (ORCID:0009000934300558)","Zimermmane Castro Santos, A. (ORCID:0000000193023102)","Albrecht, A. (ORCID:0000000160046180)","Albrecht, S. (ORCID:0000000259606803)","Antonello, M. (ORCID:000000019094482X)","Bein, S. (ORCID:0000000193877407)","Benato, L. (ORCID:0000000151357489)","Bonanomi, M. (ORCID:0000000336296264)","Connor, P. (ORCID:0000000325001061)","De Leo, K. (ORCID:000000028908409X)","Eich, M.","El Morabit, K. (ORCID:000000015886220X)","Feindt, F.","Fröhlich, A.","Garbers, C. (ORCID:0000000150942256)","Garutti, E. (ORCID:0000000306345539)","Hajheidari, M.","Haller, J. (ORCID:0000000193477657)","Hinzmann, A. (ORCID:0000000226334696)","Jabusch, H. R. (ORCID:0000000324441014)","Kasieczka, G. (ORCID:0000000334572755)","Keicher, P.","Klanner, R. (ORCID:0000000270049227)","Korcari, W. (ORCID:0000000180175502)","Kramer, T. (ORCID:0000000270040214)","Kutzner, V. (ORCID:0000000319853807)","Labe, F. (ORCID:0000000218709443)","Lange, J. (ORCID:0000000175136330)","Lobanov, A. (ORCID:0000000253760877)","Matthies, C. (ORCID:0000000173794540)","Mehta, A. (ORCID:0000000204334484)","Moureaux, L. (ORCID:0000000223109266)","Mrowietz, M.","Nigamova, A. (ORCID:0000000285228500)","Nissan, Y.","Paasch, A. (ORCID:0000000222085178)","Pena Rodriguez, K. J. (ORCID:0000000228779744)","Quadfasel, T. (ORCID:000000032360351X)","Rieger, M. (ORCID:0000000307972606)","Savoiu, D. (ORCID:0000000167947475)","Schindler, J. (ORCID:0009000665510660)","Schleper, P. (ORCID:0000000156286827)","Schröder, M. (ORCID:0000000180589828)","Schwandt, J. (ORCID:000000020052597X)","Sommerhalder, M. (ORCID:0000000157467371)","Stadie, H. (ORCID:0000000205138119)","Steinbrück, G. (ORCID:0000000283552761)","Tews, A.","Wolf, M. (ORCID:0000000330022430)","Brommer, S. (ORCID:0000000189882035)","Burkart, M.","Butz, E. (ORCID:0000000224035801)","Chwalek, T. (ORCID:0000000280093723)","Dierlamm, A. (ORCID:0000000178049902)","Droll, A.","Faltermann, N. (ORCID:0000000165063107)","Giffels, M. (ORCID:0000000301933032)","Gosewisch, J. O.","Gottmann, A. (ORCID:000000016696349X)","Hartmann, F. (ORCID:0000000189898387)","Horzela, M. (ORCID:0000000231907962)","Husemann, U. (ORCID:0000000261988388)","Klute, M. (ORCID:0000000208695631)","Koppenhöfer, R. (ORCID:0000000262565715)","Link, M.","Lintuluoto, A. (ORCID:0000000207261452)","Maier, S. (ORCID:0000000198289778)","Mitra, S. (ORCID:0000000230602278)","Müller, Th (ORCID:0000000343370098)","Neukum, M.","Oh, M. (ORCID:0000000326189203)","Quast, G. (ORCID:0000000240214260)","Rabbertz, K. (ORCID:0000000170409846)","Shvetsov, I. (ORCID:0000000270699019)","Simonis, H. J. (ORCID:0000000274672980)","Trevisani, N. (ORCID:0000000252239342)","Ulrich, R. (ORCID:000000022535402X)","van der Linden, J. (ORCID:000000027174781X)","Von Cube, R. F. (ORCID:0000000262375209)","Wassmer, M. (ORCID:0000000204082811)","Wieland, S. (ORCID:0000000338875358)","Wolf, R. (ORCID:000000019456383X)","Wozniewski, S. (ORCID:0000000185630412)","Wunsch, S.","Zuo, X. (ORCID:000000020029493X)","Anagnostou, G.","Assiouras, P. (ORCID:0000000251529006)","Daskalakis, G. (ORCID:0000000160707698)","Kyriakis, A.","Stakia, A. (ORCID:0000000162777171)","Diamantopoulou, M.","Karasavvas, D.","Kontaxakis, P. (ORCID:0000000248605979)","Manousakis-Katsikakis, A. (ORCID:0000000205301182)","Panagiotou, A.","Papavergou, I. (ORCID:0000000279922686)","Saoulidou, N. (ORCID:0000000169584196)","Theofilatos, K. (ORCID:000000018448883X)","Tziaferi, E. (ORCID:0000000349580408)","Vellidis, K. (ORCID:0000000156808357)","Zisopoulos, I. (ORCID:0000000152124353)","Bakas, G. (ORCID:0000000302871937)","Chatzistavrou, T.","Karapostoli, G. (ORCID:0000000242802541)","Kousouris, K. (ORCID:0000000263600869)","Papakrivopoulos, I. (ORCID:0000000284400487)","Tsipolitis, G.","Zacharopoulou, A.","Adamidis, K.","Bestintzanos, I.","Evangelou, I. (ORCID:0000000259035481)","Foudas, C.","Gianneios, P. (ORCID:0009000372330738)","Kamtsikis, C.","Katsoulis, P.","Kokkas, P. (ORCID:0009000937526253)","Kosmoglou Kioseoglou, P. G. (ORCID:0000000274404396)","Manthos, N. (ORCID:0000000332478909)","Papadopoulos, I. (ORCID:0000000299373063)","Strologas, J. (ORCID:0000000222257160)","Csanád, M. (ORCID:0000000231546925)","Farkas, K. (ORCID:0000000317406974)","Gadallah, M. A. (ORCID:0000000283056661)","Kórodi, B.","Major, P. (ORCID:0000000254760414)","Mandal, K. (ORCID:0000000239667182)","Pásztor, G. (ORCID:0000000307079762)","Rádl, A. J. (ORCID:0000000188100388)","Surányi, O. (ORCID:000000024684495X)","Veres, G. I. (ORCID:0000000254404356)","Bartók, M. (ORCID:0000000244402701)","Bencze, G.","Hajdu, C. (ORCID:000000027193800X)","Horvath, D. (ORCID:000000030091477X)","Sikler, F. (ORCID:0000000196083901)","Veszpremi, V. (ORCID:0000000197830315)","Beni, N. (ORCID:0000000231857889)","Czellar, S.","Karancsi, J. (ORCID:0000000308027665)","Molnar, J.","Szillasi, Z.","Teyssier, D. (ORCID:0000000252597983)","Raics, P.","Ujvari, B. (ORCID:0000000304984265)","Zilizi, G. (ORCID:0000000204800000)","Csorgo, T. (ORCID:0000000291109663)","Nemes, F. (ORCID:0000000214516484)","Novak, T. (ORCID:0000000162534356)","Babbar, J. (ORCID:0000000240804156)","Bansal, S. (ORCID:0000000319920336)","Beri, S. B.","Bhatnagar, V. (ORCID:0000000283929610)","Chaudhary, G. (ORCID:0000000301683336)","Chauhan, S. (ORCID:0000000169744129)","Dhingra, N. (ORCID:0000000272006204)","Gupta, R.","Kaur, A. (ORCID:0000000216409180)","Kaur, A. (ORCID:0000000336094777)","Kaur, H. (ORCID:0000000286597092)","Kaur, M. (ORCID:0000000234402767)","Kumar, S. (ORCID:0000000192129108)","Kumari, P. (ORCID:0000000266238586)","Meena, M. (ORCID:0000000345363967)","Sandeep, K. (ORCID:0000000232203668)","Sheokand, T.","Singh, J. B. (ORCID:0000000190292462)","Singla, A. (ORCID:000000032550139X)","Ahmed, A. (ORCID:0000000245008853)","Bhardwaj, A. (ORCID:0000000275443258)","Chhetri, A. (ORCID:0000000174951923)","Choudhary, B. C. (ORCID:0000000150291887)","Kumar, A. (ORCID:0000000334074094)","Naimuddin, M. (ORCID:000000034542386X)","Ranjan, K. (ORCID:0000000255403750)","Saumya, S. (ORCID:0000000178429518)","Baradia, S. (ORCID:0000000198607262)","Barman, S. (ORCID:0000000188911674)","Bhattacharya, S. (ORCID:0000000281104957)","Bhowmik, D.","Dutta, S. (ORCID:0000000196508121)","Dutta, S.","Gomber, B. (ORCID:0000000244460258)","Maity, M.","Palit, P. (ORCID:000000021948029X)","Saha, G. (ORCID:0000000261251941)","Sahu, B. (ORCID:0000000280735140)","Sarkar, S.","Behera, P. K. (ORCID:0000000215272266)","Behera, S. C. (ORCID:0000000207982727)","Chatterjee, S. (ORCID:0000000301859872)","Kalbhor, P. (ORCID:0000000258923743)","Komaragiri, J. R. (ORCID:0000000293446655)","Kumar, D. (ORCID:0000000266365331)","Muhammad, A. (ORCID:0000000275357149)","Panwar, L. (ORCID:0000000324614907)","Pradhan, R. (ORCID:0000000170006510)","Pujahari, P. R. (ORCID:0000000209947212)","Saha, N. R. (ORCID:0000000279547898)","Sharma, A. (ORCID:000000020688923X)","Sikdar, A. K. (ORCID:0000000254375217)","Verma, S. (ORCID:0000000311636955)","Naskar, K. (ORCID:0000000306384378)","Aziz, T.","Das, I. (ORCID:0000000254372067)","Dugad, S.","Kumar, M. (ORCID:000000030312057X)","Mohanty, G. B. (ORCID:0000000168507666)","Suryadevara, P.","Banerjee, S. (ORCID:0000000279534683)","Guchait, M. (ORCID:0009000409287922)","Karmakar, S. (ORCID:0000000197155663)","Kumar, S. (ORCID:000000022405915X)","Majumder, G. (ORCID:0000000238155222)","Mazumdar, K. (ORCID:0000000331361653)","Mukherjee, S. (ORCID:0000000331220594)","Thachayath, A. (ORCID:0000000165450350)","Bahinipati, S. (ORCID:0000000237445332)","Das, A. K.","Kar, C. (ORCID:0000000264076974)","Mal, P. (ORCID:0000000208708420)","Mishra, T. (ORCID:0000000221213932)","Muraleedharan Nair Bindhu, V. K. (ORCID:000000034671815X)","Nayak, A. (ORCID:0000000277164981)","Saha, P. (ORCID:0000000270138094)","Swain, S. K. (ORCID:0000000168713937)","Vats, D. (ORCID:0009000782244664)","Alpana, A. (ORCID:0000000332942345)","Dube, S. (ORCID:0000000251453777)","Kansal, B. (ORCID:0000000266041011)","Laha, A. (ORCID:0000000194407028)","Pandey, S. (ORCID:0000000304406019)","Rastogi, A. (ORCID:0000000312456710)","Sharma, S. (ORCID:0000000168860726)","Bakhshiansohi, H. (ORCID:0000000157413357)","Khazaie, E. (ORCID:0000000198107743)","Zeinali, M. (ORCID:0000000183676257)","Chenarani, S. (ORCID:000000021425076X)","Etesami, S. M. (ORCID:0000000165014137)","Khakzad, M. (ORCID:0000000222125715)","Mohammadi Najafabadi, M. (ORCID:0000000161315987)","Grunewald, M. (ORCID:0000000257540388)","Abbrescia, M. (ORCID:0000000187277544)","Aly, R. (ORCID:0000000168081335)","Aruta, C. (ORCID:0000000195243264)","Colaleo, A. (ORCID:0000000207116319)","Creanza, D. (ORCID:0000000161533044)","Cristella, L. (ORCID:0000000242791221)","De Filippis, N. (ORCID:0000000206256811)","De Palma, M. (ORCID:0000000182401913)","Di Florio, A. (ORCID:0000000337198041)","Elmetenawee, W. (ORCID:0000000170690252)","Errico, F. (ORCID:000000018199370X)","Fiore, L. (ORCID:0000000294701320)","Iaselli, G. (ORCID:0000000325465341)","Maggi, G. (ORCID:0000000153917689)","Maggi, M. (ORCID:0000000284313922)","Margjeka, I. (ORCID:0000000231983025)","Mastrapasqua, V. (ORCID:0000000290825924)","My, S. (ORCID:0000000299382680)","Nuzzo, S. (ORCID:0000000310896317)","Pellecchia, A. (ORCID:0000000332796114)","Pompili, A. (ORCID:0000000312914005)","Pugliese, G. (ORCID:0000000154602638)","Radogna, R. (ORCID:0000000210945038)","Ramos, D. (ORCID:0000000271651017)","Ranieri, A. (ORCID:0000000179124062)","Selvaggi, G. (ORCID:0000000300936741)","Silvestris, L. (ORCID:0000000289854891)","Simone, F. M. (ORCID:000000021924983X)","Sözbilir, Ü. (ORCID:0000000168333758)","Stamerra, A. (ORCID:0000000314341968)","Venditti, R. (ORCID:0000000169258649)","Verwilligen, P. (ORCID:0000000292858631)","Abbiendi, G. (ORCID:0000000344997562)","Battilana, C. (ORCID:0000000237533068)","Bonacorsi, D. (ORCID:0000000208359574)","Borgonovi, L. (ORCID:0000000186794443)","Brigliadori, L.","Campanini, R. (ORCID:0000000227440597)","Capiluppi, P. (ORCID:0000000344851897)","Castro, A. (ORCID:0000000325270456)","Cavallo, F. R. (ORCID:0000000203267515)","Cuffiani, M. (ORCID:0000000325105039)","Dallavalle, G. M. (ORCID:0000000286140420)","Diotalevi, T. (ORCID:0000000307808785)","Fabbri, F. (ORCID:0000000284469660)","Fanfani, A. (ORCID:0000000322564117)","Giacomelli, P. (ORCID:0000000263687220)","Giommi, L. (ORCID:0000000335394313)","Grandi, C. (ORCID:0000000159983070)","Guiducci, L. (ORCID:0000000260138293)","Lo Meo, S. (ORCID:0000000332499208)","Lunerti, L. (ORCID:0000000289320283)","Marcellini, S. (ORCID:0000000212338100)","Masetti, G. (ORCID:000000026377800X)","Navarria, F. L. (ORCID:0000000179614889)","Perrotta, A. (ORCID:0000000279967139)","Primavera, F. (ORCID:0000000162538656)","Rossi, A. M. (ORCID:0000000259731305)","Rovelli, T. (ORCID:0000000297464842)","Siroli, G. P. (ORCID:0000000235284125)","Costa, S. (ORCID:0000000199190569)","Di Mattia, A. (ORCID:000000029964015X)","Potenza, R.","Tricomi, A. (ORCID:0000000250715501)","Tuve, C. (ORCID:0000000307393153)","Barbagli, G. (ORCID:0000000217388676)","Bardelli, G. (ORCID:0000000246623305)","Camaiani, B. (ORCID:000000026396622X)","Cassese, A. (ORCID:0000000330104516)","Ceccarelli, R. (ORCID:0000000332329380)","Ciulli, V. (ORCID:0000000319473396)","Civinini, C. (ORCID:0000000249523799)","D\'Alessandro, R. (ORCID:0000000179970306)","Focardi, E. (ORCID:0000000237635267)","Latino, G. (ORCID:0000000240983502)","Lenzi, P. (ORCID:0000000269278807)","Lizzo, M. (ORCID:0000000172972624)","Meschini, M. (ORCID:0000000291613990)","Paoletti, S. (ORCID:0000000335929509)","Sguazzoni, G. (ORCID:0000000207913350)","Viliani, L. (ORCID:0000000219096343)","Benussi, L. (ORCID:0000000223638889)","Bianco, S. (ORCID:0000000283004124)","Meola, S. (ORCID:0000000282337277)","Piccolo, D. (ORCID:000000015404543X)","Bozzo, M. (ORCID:0000000217150457)","Chatagnon, P. (ORCID:0000000247059582)","Ferro, F. (ORCID:0000000276630805)","Robutti, E. (ORCID:0000000190384500)","Tosi, S. (ORCID:0000000272759193)","Benaglia, A. (ORCID:0000000311248450)","Boldrini, G. (ORCID:000000015490605X)","Brivio, F. (ORCID:0000000195236451)","Cetorelli, F. (ORCID:0000000230611553)","De Guio, F. (ORCID:0000000159278865)","Dinardo, M. E. (ORCID:0000000285757250)","Dini, P. (ORCID:0000000173754899)","Gennai, S. (ORCID:0000000152698517)","Ghezzi, A. (ORCID:0000000281847953)","Govoni, P. (ORCID:0000000202271301)","Guzzi, L. (ORCID:0000000230868260)","Lucchini, M. T. (ORCID:0000000274977450)","Malberti, M. (ORCID:0000000167948419)","Malvezzi, S. (ORCID:0000000202184910)","Massironi, A. (ORCID:0000000207820883)","Menasce, D. (ORCID:0000000299181686)","Moroni, L. (ORCID:000000028387762X)","Paganoni, M. (ORCID:000000032461275X)","Pedrini, D. (ORCID:0000000324144175)","Pinolini, B. S.","Ragazzi, S. (ORCID:0000000182192074)","Redaelli, N. (ORCID:0000000200982716)","Tabarelli de Fatis, T. (ORCID:0000000162624685)","Zuolo, D. (ORCID:0000000330721020)","Buontempo, S. (ORCID:000000019526556X)","Cagnotta, A. (ORCID:0000000288019894)","Carnevali, F.","Cavallo, N. (ORCID:0000000313279058)","De Iorio, A. (ORCID:0000000292581345)","Fabozzi, F. (ORCID:0000000198214151)","Iorio, A. M. (ORCID:0000000237981135)","Lista, L. (ORCID:0000000164715492)","Paolucci, P. (ORCID:0000000287734781)","Rossi, B. (ORCID:0000000208078772)","Sciacca, C. (ORCID:0000000284124072)","Azzi, P. (ORCID:000000023129828X)","Bacchetta, N. (ORCID:0000000222055737)","Bisello, D. (ORCID:0000000223598477)","Bortignon, P. (ORCID:0000000253601454)","Bragagnolo, A. (ORCID:0000000334742099)","Checchia, P. (ORCID:0000000283121531)","Dorigo, T. (ORCID:0000000216598727)","Gasparini, F. (ORCID:000000021315563X)","Gasparini, U. (ORCID:0000000272532669)","Grosso, G.","Layer, L.","Lusiani, E. (ORCID:0000000187917978)","Margoni, M. (ORCID:0000000317974330)","Meneguzzo, A. T. (ORCID:0000000258618140)","Michelotto, M. (ORCID:000000016644987X)","Pazzini, J. (ORCID:0000000211186205)","Ronchese, P. (ORCID:0000000170022051)","Rossin, R. (ORCID:0000000334667500)","Simonetto, F. (ORCID:0000000282792464)","Strong, G. (ORCID:0000000246406108)","Tosi, M. (ORCID:0000000340501769)","Yarar, H.","Zanetti, M. (ORCID:0000000342814582)","Zotto, P. (ORCID:0000000339535996)","Zucchetta, A. (ORCID:0000000303801172)","Zumerle, G. (ORCID:0000000330752679)","Abu Zeid, S. (ORCID:0000000208200483)","Aimè, C. (ORCID:0000000304494717)","Braghieri, A. (ORCID:0000000296065604)","Calzaferri, S. (ORCID:0000000211622505)","Fiorina, D. (ORCID:000000027104257X)","Montagna, P. (ORCID:0000000196479420)","Re, V. (ORCID:0000000306973420)","Riccardi, C. (ORCID:0000000301653962)","Salvini, P. (ORCID:0000000192077256)","Vai, I. (ORCID:0000000300375032)","Vitulo, P. (ORCID:0000000192477778)","Asenov, P. (ORCID:0000000323799903)","Bilei, G. M. (ORCID:0000000241599123)","Ciangottini, D. (ORCID:0000000208434108)","Fanò, L. (ORCID:000000029007629X)","Magherini, M. (ORCID:0000000341083925)","Mantovani, G.","Mariani, V. (ORCID:0000000171088116)","Menichelli, M. (ORCID:000000029004735X)","Moscatelli, F. (ORCID:0000000276763106)","Piccinelli, A. (ORCID:0000000303860527)","Presilla, M. (ORCID:0000000328087315)","Rossi, A. (ORCID:0000000220312955)","Santocchia, A. (ORCID:0000000297702249)","Spiga, D. (ORCID:0000000229916384)","Tedeschi, T. (ORCID:0000000271252905)","Azzurri, P. (ORCID:0000000217175654)","Bagliesi, G. (ORCID:0000000342981620)","Bertacchi, V. (ORCID:0000000199711176)","Bhattacharya, R. (ORCID:0000000275758639)","Bianchini, L. (ORCID:0000000265986865)","Boccali, T. (ORCID:0000000299309299)","Bossini, E. (ORCID:0000000223032588)","Bruschini, D. (ORCID:0000000172482967)","Castaldi, R. (ORCID:000000030146845X)","Ciocci, M. A. (ORCID:0000000300025462)","D\'Amante, V. (ORCID:0000000273422592)","Dell\'Orso, R. (ORCID:0000000314149343)","Donato, S. (ORCID:0000000176464977)","Giassi, A. (ORCID:0000000194282296)","Ligabue, F. (ORCID:0000000215497107)","Matos Figueiredo, D. (ORCID:0000000325146930)","Messineo, A. (ORCID:0000000175515613)","Musich, M. (ORCID:0000000179385684)","Palla, F. (ORCID:000000026361438X)","Parolia, S. (ORCID:0000000295662490)","Ramirez-Sanchez, G. (ORCID:0000000178045514)","Rizzi, A. (ORCID:0000000245432718)","Rolandi, G. (ORCID:000000020635274X)","Roy Chowdhury, S. (ORCID:0000000157425593)","Sarkar, T. (ORCID:0000000305824167)","Scribano, A. (ORCID:0000000243386332)","Spagnolo, P. (ORCID:0000000179625203)","Tenchini, R. (ORCID:0000000325744383)","Tonelli, G. (ORCID:0000000326069156)","Turini, N. (ORCID:0000000293955230)","Venturi, A. (ORCID:0000000202494142)","Verdini, P. G. (ORCID:0000000200429507)","Barria, P. (ORCID:0000000239247380)","Campana, M. (ORCID:000000015425723X)","Cavallari, F. (ORCID:0000000210613877)","Del Re, D. (ORCID:0000000308705796)","Di Marco, E. (ORCID:0000000259202438)","Diemoz, M. (ORCID:0000000238108530)","Longo, E. (ORCID:0000000162386787)","Meridiani, P. (ORCID:0000000284802259)","Organtini, G. (ORCID:0000000232290781)","Pandolfi, F. (ORCID:0000000187133874)","Paramatti, R. (ORCID:0000000200809550)","Quaranta, C. (ORCID:0000000200426891)","Rahatlou, S. (ORCID:0000000197943360)","Rovelli, C. (ORCID:0000000321737530)","Santanastasio, F. (ORCID:0000000325058359)","Soffi, L. (ORCID:0000000325329876)","Tramontano, R. (ORCID:0000000159795299)","Amapane, N. (ORCID:0000000194492509)","Arcidiacono, R. (ORCID:000000015904142X)","Argiro, S. (ORCID:0000000321503750)","Arneodo, M. (ORCID:0000000277907132)","Bartosik, N. (ORCID:0000000271962237)","Bellan, R. (ORCID:0000000225392376)","Bellora, A. (ORCID:0000000227535473)","Biino, C. (ORCID:0000000213977246)","Cartiglia, N. (ORCID:0000000205489189)","Costa, M. (ORCID:0000000301560790)","Covarelli, R. (ORCID:0000000312165235)","Demaria, N. (ORCID:0000000307439465)","Grippo, M. (ORCID:000000030770269X)","Kiani, B. (ORCID:0000000212027652)","Legger, F. (ORCID:0000000314000709)","Luongo, F. (ORCID:0000000327434119)","Mariotti, C. (ORCID:0000000268643294)","Maselli, S. (ORCID:0000000198717859)","Mecca, A. (ORCID:0000000322092527)","Migliore, E. (ORCID:0000000222715192)","Monteno, M. (ORCID:0000000235216333)","Mulargia, R. (ORCID:000000032437013X)","Obertino, M. M. (ORCID:0000000287818192)","Ortona, G. (ORCID:0000000184112971)","Pacher, L. (ORCID:0000000312884838)","Pastrone, N. (ORCID:0000000172911979)","Pelliccioni, M. (ORCID:0000000347286678)","Ruspa, M. (ORCID:0000000276553475)","Shchelina, K. (ORCID:0000000337420693)","Siviero, F. (ORCID:0000000244274076)","Sola, V. (ORCID:000000016288951X)","Solano, A. (ORCID:0000000229718214)","Soldi, D. (ORCID:0000000190594831)","Staiano, A. (ORCID:000000031803624X)","Tarricone, C. (ORCID:0000000162330513)","Tornago, M. (ORCID:0000000167681056)","Trocino, D. (ORCID:0000000228305872)","Umoret, G. (ORCID:0000000266747874)","Vagnerini, A. (ORCID:0000000187305031)","Vlasov, E. (ORCID:0000000286282090)","Belforte, S. (ORCID:0000000184434460)","Candelise, V. (ORCID:0000000236415983)","Casarsa, M. (ORCID:0000000213538964)","Cossutti, F. (ORCID:000000015672214X)","Della Ricca, G. (ORCID:0000000328316982)","Sorrentino, G. (ORCID:000000022253819X)","Dogra, S. (ORCID:0000000208120758)","Huh, C. (ORCID:0000000285132824)","Kim, B. (ORCID:0000000295396815)","Kim, D. H. (ORCID:0000000290236847)","Kim, G. N. (ORCID:0000000234829082)","Kim, J.","Lee, J. (ORCID:0000000253517201)","Lee, S. W. (ORCID:0000000210283468)","Moon, C. S. (ORCID:0000000182297829)","Oh, Y. D. (ORCID:0000000272199931)","Pak, S. I. (ORCID:0000000214473533)","Ryu, M. S. (ORCID:000000021855180X)","Sekmen, S. (ORCID:0000000317265681)","Yang, Y. C. (ORCID:0000000310094621)","Kim, H. (ORCID:0000000180199387)","Moon, D. H. (ORCID:0000000256289187)","Asilar, E. (ORCID:000000015680599X)","Kim, T. J. (ORCID:0000000183362434)","Park, J. (ORCID:0000000246836669)","Choi, S. (ORCID:0000000162259876)","Han, S.","Hong, B. (ORCID:0000000222599929)","Lee, K.","Lee, K. S. (ORCID:0000000236807039)","Lim, J.","Park, J.","Park, S. K.","Yoo, J. (ORCID:0000000304633043)","Goh, J. (ORCID:0000000211292083)","Kim, H. S. (ORCID:0000000265439191)","Kim, Y.","Lee, S.","Almond, J.","Bhyun, J. H.","Choi, J. (ORCID:0000000224835104)","Jeon, S. (ORCID:0000000312086940)","Kim, J. (ORCID:0000000198766642)","Kim, J. S.","Ko, S. (ORCID:0000000343779969)","Kwon, H. (ORCID:0009000251655018)","Lee, H. (ORCID:0000000211383700)","Lee, S.","Oh, B. H. (ORCID:0000000295397789)","Oh, S. B. (ORCID:0000000307104956)","Seo, H. (ORCID:0000000239320605)","Yang, U. K.","Yoon, I. (ORCID:0000000234918026)","Jang, W. (ORCID:0000000215719072)","Kang, D. Y.","Kang, Y. (ORCID:0000000160793434)","Kim, D. (ORCID:0000000283369182)","Kim, S. (ORCID:0000000280157379)","Ko, B.","Lee, J. H. (ORCID:0000000221531519)","Lee, Y. (ORCID:0000000155725947)","Merlin, J. A.","Park, I. C. (ORCID:0000000345106776)","Roh, Y.","Song, D.","Watson, I. J. (ORCID:0000000321413413)","Yang, S. (ORCID:0000000169056553)","Ha, S. (ORCID:0000000325381551)","Yoo, H. D. (ORCID:0000000238923500)","Choi, M. (ORCID:000000024811626X)","Kim, M. R. (ORCID:0000000222892527)","Lee, H.","Lee, Y. (ORCID:0000000169549964)","Yu, I. (ORCID:0000000315675548)","Beyrouthy, T.","Maghrbi, Y. (ORCID:0000000249607458)","Dreimanis, K. (ORCID:0000000309725641)","Pikurs, G.","Potrebko, A. (ORCID:0000000237768270)","Seidel, M. (ORCID:0000000335506151)","Veckalns, V. (ORCID:0000000336769711)","Ambrozas, M. (ORCID:0000000324490158)","Carvalho Antunes De Oliveira, A. (ORCID:000000032340836X)","Juodagalvis, A. (ORCID:0000000215013328)","Rinkevicius, A. (ORCID:000000027510255X)","Tamulaitis, G. (ORCID:0000000229139634)","Bin Norjoharuddeen, N. (ORCID:0000000288187476)","Hoh, S. Y. (ORCID:0000000332335123)","Yusuff, I. (ORCID:0000000327860732)","Zolkapli, Z.","Benitez, J. F. (ORCID:0000000226336712)","Castaneda Hernandez, A. (ORCID:0000000347661546)","Encinas Acosta, H. A.","Gallegos Maríñez, L. G.","León Coello, M. (ORCID:000000023761911X)","Murillo Quijada, J. A. (ORCID:0000000349332092)","Sehrawat, A. (ORCID:0000000268167814)","Valencia Palomo, L. (ORCID:000000028736440X)","Ayala, G. (ORCID:0000000282948692)","Castilla-Valdez, H. (ORCID:0009000595909958)","Heredia-De La Cruz, I. (ORCID:0000000281336467)","Lopez-Fernandez, R. (ORCID:0000000223894831)","Mondragon Herrera, C. A.","Perez Navarro, D. A. (ORCID:0000000192804150)","Sánchez Hernández, A. (ORCID:0000000195480358)","Oropeza Barrera, C. (ORCID:0000000197240016)","Vazquez Valencia, F. (ORCID:0000000163793982)","Pedraza, I. (ORCID:0000000226694659)","Salazar Ibarguen, H. A. (ORCID:0000000345567302)","Uribe Estrada, C. (ORCID:0000000224257340)","Bubanja, I.","Mijuskovic, J. (ORCID:0009000915899980)","Raicevic, N. (ORCID:0000000223862290)","Ahmad, A. (ORCID:0000000247701897)","Asghar, M. I.","Awais, A. (ORCID:000000033563257X)","Awan, M. M.","Gul, M. (ORCID:0000000257041896)","Hoorani, H. R. (ORCID:0000000200885043)","Khan, W. A. (ORCID:0000000304880941)","Avati, V.","Grzanka, L. (ORCID:000000023599854X)","Malawski, M. (ORCID:0000000160050243)","Bialkowska, H. (ORCID:0000000259566258)","Bluj, M. (ORCID:0000000312291442)","Boimska, B. (ORCID:0000000242001541)","Górski, M. (ORCID:000000032146187X)","Kazana, M. (ORCID:0000000278213036)","Szleper, M. (ORCID:000000021697004X)","Zalewski, P. (ORCID:0000000344292888)","Bunkowski, K. (ORCID:0000000163719336)","Doroba, K. (ORCID:0000000278182364)","Kalinowski, A. (ORCID:0000000212805493)","Konecki, M. (ORCID:0000000194824841)","Krolikowski, J. (ORCID:0000000230550236)","Araujo, M. (ORCID:0000000281523756)","Bargassa, P. (ORCID:0000000186123332)","Bastos, D. (ORCID:0000000270322481)","Boletti, A. (ORCID:0000000332887737)","Faccioli, P. (ORCID:0000000318496692)","Gallinaro, M. (ORCID:0000000312612277)","Hollar, J. (ORCID:0000000286640134)","Leonardo, N. (ORCID:0000000297464594)","Niknejad, T. (ORCID:0000000332769482)","Pisano, M. (ORCID:0000000202647217)","Seixas, J. (ORCID:0000000275310842)","Varela, J. (ORCID:0000000326133146)","Adzic, P. (ORCID:0000000258627397)","Dordevic, M. (ORCID:0000000284073236)","Milenovic, P. (ORCID:0000000171323550)","Milosevic, J. (ORCID:0000000184864604)","Aguilar-Benitez, M.","Alcaraz Maestre, J. (ORCID:0000000309147474)","Barrio Luna, M.","Bedoya, Cristina F. (ORCID:0000000180579152)","Cepeda, M. (ORCID:0000000260764083)","Cerrada, M. (ORCID:0000000301121691)","Colino, N. (ORCID:0000000236560259)","De La Cruz, B. (ORCID:0000000190575614)","Delgado Peris, A. (ORCID:0000000285117958)","Fernández Del Val, D. (ORCID:0000000323461590)","Fernández Ramos, J. P. (ORCID:000000020122313X)","Flix, J. (ORCID:0000000326888047)","Fouz, M. C. (ORCID:000000032950976X)","Gonzalez Lopez, O. (ORCID:0000000245326464)","Goy Lopez, S. (ORCID:0000000165085090)","Hernandez, J. M. (ORCID:0000000164367547)","Josa, M. I. (ORCID:0000000249856964)","León Holgado, J. (ORCID:0000000241566460)","Moran, D. (ORCID:0000000219419333)","Perez Dengra, C. (ORCID:0000000328214249)","Pérez-Calero Yzquierdo, A. (ORCID:0000000330367965)","Puerta Pelayo, J. (ORCID:0000000173901457)","Redondo, I. (ORCID:0000000337374121)","Redondo Ferrero, D. D. (ORCID:0000000234630559)","Romero, L.","Sánchez Navas, S. (ORCID:0000000161299059)","Sastre, J. (ORCID:0000000216542846)","Urda Gómez, L. (ORCID:0000000278655010)","Vazquez Escobar, J. (ORCID:0000000275332283)","Willmott, C.","de Trocóniz, J. F. (ORCID:0000000207989806)","Alvarez Gonzalez, B. (ORCID:0000000177674810)","Cuevas, J. (ORCID:0000000150800821)","Fernandez Menendez, J. (ORCID:0000000252133708)","Folgueras, S. (ORCID:0000000171911125)","Gonzalez Caballero, I. (ORCID:0000000280873199)","González Fernández, J. R. (ORCID:0000000248258188)","Palencia Cortezon, E. (ORCID:0000000182640287)","Ramón Álvarez, C. (ORCID:0000000311750002)","Rodríguez Bouza, V. (ORCID:0000000272257310)","Soto Rodríguez, A. (ORCID:0000000229938663)","Trapote, A. (ORCID:0000000240302551)","Vico Villalba, C. (ORCID:0000000219051874)","Brochero Cifuentes, J. A. (ORCID:0000000320937856)","Cabrillo, I. J. (ORCID:0000000203674022)","Calderon, A. (ORCID:0000000272052040)","Duarte Campderros, J. (ORCID:0000000306875214)","Fernandez, M. (ORCID:0000000248241087)","Fernandez Madrazo, C. (ORCID:0000000197484336)","García Alonso, A.","Gomez, G. (ORCID:0000000210776553)","Lasaosa García, C. (ORCID:0000000327267111)","Martinez Rivero, C. (ORCID:000000023224956X)","Martinez Ruiz del Arbol, P. (ORCID:0000000277375121)","Matorras, F. (ORCID:0000000342955668)","Matorras Cuevas, P. (ORCID:0000000174817273)","Piedra Gomez, J. (ORCID:0000000291571700)","Prieels, C.","Scodellaro, L. (ORCID:0000000249748330)","Vila, I. (ORCID:0000000267977209)","Vizan Garcia, J. M. (ORCID:0000000268238854)","Jayananda, M. K. (ORCID:000000027577310X)","Kailasapathy, B. (ORCID:0000000324241303)","Sonnadara, D. J. (ORCID:0000000178622537)","Wickramarathna, D. C. (ORCID:0000000269418478)","Dharmaratna, W. D. (ORCID:000000026366837X)","Liyanage, K. (ORCID:0000000237927665)","Perera, N. (ORCID:0000000247479106)","Wickramage, N. (ORCID:0000000177603537)","Abbaneo, D. (ORCID:0000000194161742)","Auffray, E. (ORCID:0000000185401097)","Auzinger, G. (ORCID:0000000170778262)","Baechler, J.","Baillon, P.","Barney, D. (ORCID:0000000249274921)","Bendavid, J. (ORCID:0000000279071789)","Bermúdez Martínez, A. (ORCID:0000000188224727)","Bianco, M. (ORCID:0000000283363282)","Bilin, B. (ORCID:0000000314397128)","Bin Anuar, A. A. (ORCID:0000000229889830)","Bocci, A. (ORCID:0000000265155666)","Brondolin, E. (ORCID:000000015420586X)","Caillol, C. (ORCID:0000000256423040)","Camporesi, T. (ORCID:0000000150661876)","Cerminara, G. (ORCID:0000000228975753)","Chernyavskaya, N. (ORCID:0000000222642229)","Chhibra, S. S. (ORCID:0000000216431388)","Choudhury, S.","Cipriani, M. (ORCID:0000000201514439)","d\'Enterria, D. (ORCID:0000000257544303)","Dabrowski, A. (ORCID:0000000325709676)","David, A. (ORCID:0000000158547699)","De Roeck, A. (ORCID:0000000292285271)","Defranchis, M. M. (ORCID:0000000195733714)","Deile, M. (ORCID:0000000150857270)","Dobson, M. (ORCID:0009000750213230)","Dünser, M. (ORCID:0000000285022297)","Dupont, N.","Fallavollita, F.","Florent, A. (ORCID:0000000165443679)","Forthomme, L. (ORCID:000000023302336X)","Franzoni, G. (ORCID:0000000191794253)","Funk, W. (ORCID:0000000304226739)","Ghosh, S. (ORCID:0000000167170803)","Giani, S.","Gigi, D.","Gill, K. (ORCID:0009000193315145)","Glege, F. (ORCID:0000000245262149)","Gouskos, L. (ORCID:0000000295477471)","Govorkova, E. (ORCID:0000000319206618)","Haranko, M. (ORCID:0000000293769235)","Hegeman, J. (ORCID:0000000229382263)","Innocente, V. (ORCID:0000000332092088)","James, T. (ORCID:0000000237270202)","Janot, P. (ORCID:0000000173394272)","Kaspar, J. (ORCID:0000000156392267)","Kieseler, J. (ORCID:0000000316447678)","Kratochwil, N. (ORCID:0000000152971878)","Laurila, S. (ORCID:0000000175078636)","Lecoq, P. (ORCID:0000000231980115)","Leutgeb, E. (ORCID:0000000348383306)","Lourenço, C. (ORCID:0000000308856711)","Maier, B. (ORCID:0000000152707540)","Malgeri, L. (ORCID:0000000201137389)","Mannelli, M. (ORCID:0000000337488946)","Marini, A. C. (ORCID:0000000323510487)","Meijers, F. (ORCID:0000000265303657)","Mersi, S. (ORCID:0000000321556692)","Meschi, E. (ORCID:0000000345026151)","Moortgat, F. (ORCID:0000000171990046)","Mulders, M. (ORCID:0000000174326634)","Orfanelli, S.","Orsini, L.","Pantaleo, F. (ORCID:0000000332664357)","Perez, E.","Peruzzi, M. (ORCID:000000020416696X)","Petrilli, A. (ORCID:0000000308871882)","Petrucciani, G. (ORCID:0000000308894726)","Pfeiffer, A. (ORCID:000000015328448X)","Pierini, M. (ORCID:0000000319394268)","Piparo, D. (ORCID:0009000669583111)","Pitt, M. (ORCID:0000000324615985)","Qu, H. (ORCID:0000000202508655)","Quast, T.","Rabady, D. (ORCID:0000000192390605)","Racz, A.","Reales Gutiérrez, G.","Rovere, M. (ORCID:0000000180481622)","Sakulin, H. (ORCID:0000000321817258)","Salfeld-Nebgen, J. (ORCID:0000000338795622)","Scarfi, S. (ORCID:0009000686893576)","Selvaggi, M. (ORCID:0000000251449655)","Sharma, A. (ORCID:0000000298601650)","Silva, P. (ORCID:000000025725041X)","Sphicas, P. (ORCID:0000000254565977)","Stahl Leiton, A. G. (ORCID:000000025397252X)","Summers, S. (ORCID:0000000342442061)","Tatar, K. (ORCID:0000000264480168)","Treille, D. (ORCID:0009000559529843)","Tropea, P. (ORCID:0000000318992266)","Tsirou, A.","Wanczyk, J. (ORCID:0000000285621863)","Wozniak, K. A. (ORCID:0000000243951581)","Zeuner, W. D.","Caminada, L. (ORCID:0000000156776033)","Ebrahimi, A. (ORCID:000000034472867X)","Erdmann, W. (ORCID:000000019964249X)","Horisberger, R. (ORCID:0000000255941321)","Ingram, Q. (ORCID:000000029576055X)","Kaestli, H. C. (ORCID:0000000319797331)","Kotlinski, D. (ORCID:0000000153334918)","Lange, C. (ORCID:0000000236323157)","Missiroli, M. (ORCID:0000000217801344)","Noehte, L. (ORCID:0000000161257203)","Rohe, T. (ORCID:0009000561887754)","Aarrestad, T. K. (ORCID:000000027671243X)","Androsov, K. (ORCID:0000000326946542)","Backhaus, M. (ORCID:0000000258882304)","Calandri, A. (ORCID:0000000177740099)","Datta, K. (ORCID:0000000266740015)","De Cosa, A. (ORCID:0000000325332856)","Dissertori, G. (ORCID:0000000245492569)","Dittmar, M.","Donegà, M. (ORCID:0000000198300412)","Eble, F. (ORCID:0009000206383447)","Galli, M. (ORCID:0000000294084756)","Gedia, K. (ORCID:0009000609147684)","Glessgen, F. (ORCID:0000000153091960)","Gómez Espinosa, T. A. (ORCID:0000000294437769)","Grab, C. (ORCID:0000000261823380)","Hits, D. (ORCID:0000000231356427)","Lustermann, W. (ORCID:0000000349702217)","Lyon, A. -M. (ORCID:0009000413936577)","Manzoni, R. A. (ORCID:0000000275845038)","Marchese, L. (ORCID:0000000166278716)","Martin Perez, C. (ORCID:0000000315816152)","Mascellani, A. (ORCID:0000000163625356)","Nessi-Tedaldi, F. (ORCID:0000000247217966)","Niedziela, J. (ORCID:0000000295140799)","Pauss, F. (ORCID:0000000237524639)","Perovic, V. (ORCID:0009000285590531)","Pigazzini, S. (ORCID:0000000280464344)","Ratti, M. G. (ORCID:0000000317777855)","Reichmann, M. (ORCID:0000000262205496)","Reissel, C. (ORCID:0000000170801119)","Reitenspiess, T. (ORCID:0000000222490835)","Ristic, B. (ORCID:0000000286101130)","Riti, F. (ORCID:0000000214669077)","Ruini, D.","Sanz Becerra, D. A. (ORCID:0000000266104019)","Seidita, R. (ORCID:0000000235336191)","Steggemann, J. (ORCID:0000000344205510)","Valsecchi, D. (ORCID:0000000185878266)","Wallny, R. (ORCID:0000000180381613)","Amsler, C. (ORCID:000000027695501X)","Bärtschi, P. (ORCID:0000000288426027)","Botta, C. (ORCID:000000028072795X)","Brzhechko, D.","Canelli, M. F. (ORCID:0000000163612117)","Cormier, K. (ORCID:0000000178733579)","De Wit, A. (ORCID:0000000252911661)","Del Burgo, R.","Heikkilä, J. K. (ORCID:0000000205381469)","Huwiler, M. (ORCID:0000000298065907)","Jin, W. (ORCID:0009000989767702)","Jofrehei, A. (ORCID:0000000289925426)","Kilminster, B. (ORCID:0000000266570407)","Leontsinis, S. (ORCID:0000000275616091)","Liechti, S. P. (ORCID:0000000211921628)","Macchiolo, A. (ORCID:0000000301996957)","Meiring, P. (ORCID:0009000194804039)","Mikuni, V. M. (ORCID:0000000215792421)","Molinatti, U. (ORCID:0000000292353406)","Neutelings, I. (ORCID:0009000264731403)","Reimers, A. (ORCID:0000000294382059)","Robmann, P.","Sanchez Cruz, S. (ORCID:000000029991195X)","Schweiger, K. (ORCID:0000000258463919)","Senger, M. (ORCID:0000000219925711)","Takahashi, Y. (ORCID:0000000151842265)","Adloff, C.","Kuo, C. M.","Lin, W.","Rout, P. K. (ORCID:0000000181496180)","Tiwari, P. C. (ORCID:0000000236673843)","Yu, S. S. (ORCID:0000000260118516)","Ceard, L.","Chao, Y. (ORCID:000000025976318X)","Chen, K. F. (ORCID:0000000313043782)","Chen, P. s.","Cheng, H. (ORCID:0000000164567178)","Hou, W. -S. (ORCID:0000000242605118)","Khurana, R.","Kole, G. (ORCID:0000000232851497)","Li, Y. y. (ORCID:000000033598556X)","Lu, R. -S. (ORCID:0000000168281695)","Paganis, E. (ORCID:0000000219508993)","Psallidas, A.","Steen, A. (ORCID:0009000643663463)","Wu, H. y.","Yazgan, E. (ORCID:0000000157327950)","Asawatangtrakuldee, C. (ORCID:0000000322347219)","Srimanobhas, N. (ORCID:0000000335632959)","Wachirapusitanand, V. (ORCID:0000000182515160)","Agyel, D. (ORCID:0000000217978844)","Boran, F. (ORCID:000000023611390X)","Demiroglu, Z. S. (ORCID:0000000179777127)","Dolek, F. (ORCID:0000000170925517)","Dumanoglu, I. (ORCID:0000000200395503)","Eskut, E. (ORCID:0000000183283314)","Guler, Y. (ORCID:0000000175985252)","Gurpinar Guler, E. (ORCID:0000000261720285)","Isik, C. (ORCID:0000000279770811)","Kara, O.","Kayis Topaksu, A. (ORCID:0000000231694573)","Kiminsu, U. (ORCID:0000000169407800)","Onengut, G. (ORCID:0000000262744254)","Ozdemir, K. (ORCID:0000000201031488)","Polatoz, A. (ORCID:0000000195160821)","Simsek, A. E. (ORCID:0000000290742256)","Tali, B. (ORCID:0000000274475602)","Tok, U. G. (ORCID:000000023039021X)","Turkcapar, S. (ORCID:0000000326080494)","Uslan, E. (ORCID:0000000224720526)","Zorbakir, I. S. (ORCID:0000000259622221)","Karapinar, G.","Ocalan, K. (ORCID:0000000284191400)","Yalvac, M. (ORCID:0000000349159162)","Akgun, B. (ORCID:0000000188883562)","Atakisi, I. O. (ORCID:0000000292317464)","Gülmez, E. (ORCID:000000026353518X)","Kaya, M. (ORCID:0000000328904493)","Kaya, O. (ORCID:0000000284853822)","Tekten, S. (ORCID:0000000296245525)","Cakir, A. (ORCID:0000000286277689)","Cankocak, K. (ORCID:0000000238293481)","Komurcu, Y. (ORCID:000000027084030X)","Sen, S. (ORCID:0000000173251087)","Aydilek, O. (ORCID:0000000225676766)","Cerci, S. (ORCID:0000000287026152)","Hacisahinoglu, B. (ORCID:0000000226461230)","Hos, I. (ORCID:0000000276781101)","Isildak, B. (ORCID:0000000202835234)","Kaynak, B. (ORCID:0000000338572496)","Ozkorucuklu, S. (ORCID:0000000151539266)","Simsek, C. (ORCID:0000000273598635)","Sunar Cerci, D. (ORCID:0000000254124688)","Grynyov, B. (ORCID:0000000232999985)","Levchuk, L. (ORCID:0000000158897410)","Anthony, D. (ORCID:0000000250168886)","Brooke, J. J. (ORCID:0000000325290684)","Bundock, A. (ORCID:0000000229166456)","Clement, E. (ORCID:0000000334124004)","Cussans, D. (ORCID:0000000181920826)","Flacher, H. (ORCID:000000025371941X)","Glowacki, M.","Goldstein, J. (ORCID:0000000315916014)","Heath, H. F. (ORCID:0000000165769740)","Kreczko, L. (ORCID:0000000323418330)","Krikler, B. (ORCID:0000000197120030)","Paramesvaran, S. (ORCID:0000000347488296)","Seif El Nasr-Storey, S.","Smith, V. J. (ORCID:0000000345432547)","Stylianou, N. (ORCID:0000000201136829)","Walkingshaw Pass, K.","White, R. (ORCID:000000015793526X)","Ball, A. H.","Bell, K. W. (ORCID:0000000222945860)","Belyaev, A. (ORCID:0000000217334408)","Brew, C. (ORCID:0000000165958365)","Brown, R. M. (ORCID:0000000267280153)","Cockerill, D. A. (ORCID:0000000324275765)","Cooke, C. (ORCID:0000000337304895)","Ellis, K. V.","Harder, K. (ORCID:0000000229656973)","Harper, S. (ORCID:0000000156372653)","Holmberg, M. -L. (ORCID:0000000294735985)","Jain, Sh (ORCID:0000000317705309)","Linacre, J. (ORCID:000000017555652X)","Manolopoulos, K.","Newbold, D. M. (ORCID:0000000290159634)","Olaiya, E.","Petyt, D. (ORCID:0000000223694469)","Reis, T. (ORCID:0000000337036624)","Salvi, G. (ORCID:0000000227871063)","Schuh, T.","Shepherd-Themistocleous, C. H. (ORCID:0000000305516949)","Tomalin, I. R. (ORCID:0000000324194439)","Williams, T. (ORCID:0000000287244678)","Bainbridge, R. (ORCID:0000000191574832)","Bloch, P. (ORCID:000000016716979X)","Bonomally, S.","Borg, J. (ORCID:0000000277167621)","Brown, C. E. (ORCID:0000000277666615)","Buchmuller, O.","Cacchio, V.","Carrillo Montoya, C. A. (ORCID:0000000262456535)","Cepaitis, V. (ORCID:0000000248094056)","Chahal, G. S. (ORCID:0000000303204407)","Colling, D. (ORCID:0000000199594977)","Dancu, J. S.","Dauncey, P. (ORCID:0000000168399466)","Davies, G. (ORCID:0000000186685001)","Davies, J.","Della Negra, M. (ORCID:0000000164978081)","Fayer, S.","Fedi, G. (ORCID:0000000191012573)","Hall, G. (ORCID:0000000262998385)","Hassanshahi, M. H. (ORCID:0000000166344517)","Howard, A.","Iles, G. (ORCID:0000000212195859)","Langford, J. (ORCID:0000000239314379)","Lyons, L. (ORCID:0000000179459188)","Magnan, A. -M. (ORCID:0000000242661646)","Malik, S.","Martelli, A. (ORCID:0000000335302255)","Mieskolainen, M. (ORCID:0000000188937401)","Monk, D. G. (ORCID:0000000283771999)","Nash, J. (ORCID:0000000306076519)","Pesaresi, M.","Radburn-Smith, B. C. (ORCID:0000000314889675)","Raymond, D. M.","Richards, A.","Rose, A. (ORCID:000000029773550X)","Scott, E. (ORCID:0000000303526836)","Seez, C. (ORCID:0000000216375494)","Shukla, R. (ORCID:0000000156705497)","Tapper, A. (ORCID:000000034543864X)","Uchida, K. (ORCID:0000000307422276)","Uttley, G. P. (ORCID:0009000262486467)","Vage, L. H.","Virdee, T. (ORCID:0000000174292198)","Vojinovic, M. (ORCID:0000000186652808)","Wardle, N. (ORCID:0000000313443356)","Webb, S. N. (ORCID:0000000347498814)","Winterbottom, D. (ORCID:000000034582150X)","Coldham, K.","Cole, J. E. (ORCID:0000000156387599)","Khan, A.","Kyberd, P. (ORCID:0000000273537090)","Reid, I. D. (ORCID:000000029235779X)","Abdullin, S. (ORCID:0000000348856935)","Brinkerhoff, A. (ORCID:0000000248197995)","Caraway, B. (ORCID:0000000260882020)","Dittmann, J. (ORCID:0000000219113158)","Hatakeyama, K. (ORCID:0000000260122451)","Kanuganti, A. R. (ORCID:0000000207891200)","McMaster, B. (ORCID:0000000244940446)","Saunders, M. (ORCID:0000000315729075)","Sawant, S. (ORCID:0000000219817753)","Sutantawibul, C. (ORCID:0000000306000151)","Toms, M. (ORCID:0000000277033973)","Wilson, J. (ORCID:0000000256727394)","Bartek, R. (ORCID:0000000216862882)","Dominguez, A. (ORCID:0000000274205493)","Huerta Escamilla, C.","Uniyal, R. (ORCID:0000000173456293)","Vargas Hernandez, A. M. (ORCID:0000000289117197)","Chudasama, R. (ORCID:0009000788486146)","Cooper, S. I. (ORCID:0000000246180313)","Di Croce, D. (ORCID:0000000211227919)","Gleyzer, S. V. (ORCID:0000000262228102)","Perez, C. U. (ORCID:0000000268612674)","Rumerio, P. (ORCID:0000000217025541)","Usai, E. (ORCID:0000000193232107)","West, C. (ORCID:0000000344602241)","Akpinar, A. (ORCID:0000000175106617)","Albert, A. (ORCID:0000000323699507)","Arcaro, D. (ORCID:0000000194578302)","Cosby, C. (ORCID:0000000303526561)","Demiragli, Z. (ORCID:000000018521737X)","Erice, C. (ORCID:0000000264693200)","Fontanesi, E. (ORCID:0000000206625904)","Gastler, D. (ORCID:0009000073076311)","May, S. (ORCID:0000000263516122)","Rohlf, J. (ORCID:0000000164239799)","Salyer, K. (ORCID:0000000269571077)","Sperka, D. (ORCID:0000000246242019)","Spitzbart, D. (ORCID:0000000320252742)","Suarez, I. (ORCID:0000000253746995)","Tsatsos, A. (ORCID:0000000183108911)","Yuan, S. (ORCID:000000022029024X)","Benelli, G. (ORCID:0000000344618905)","Coubez, X.","Cutts, D. (ORCID:0000000310417099)","Hadley, M. (ORCID:0000000270684327)","Heintz, U. (ORCID:0000000275903058)","Hogan, J. M. (ORCID:0000000286043452)","Kwon, T. (ORCID:0000000195946277)","Landsberg, G. (ORCID:0000000241849380)","Lau, K. T. (ORCID:0000000313718575)","Li, D. (ORCID:0000000308908948)","Luo, J. (ORCID:0000000241088681)","Narain, M. (ORCID:0000000278577403)","Pervan, N. (ORCID:0000000281538464)","Sagir, S. (ORCID:0000000226145860)","Simpson, F. (ORCID:0000000189449629)","Wong, W. Y.","Yan, X. (ORCID:0000000264260560)","Yu, D. (ORCID:0000000159215231)","Zhang, W.","Abbott, S. (ORCID:000000027791894X)","Bonilla, J. (ORCID:0000000269826121)","Brainerd, C. (ORCID:0000000295521006)","Breedon, R. (ORCID:0000000153147581)","Calderon De La Barca Sanchez, M. (ORCID:0000000198354349)","Chertok, M. (ORCID:0000000227296273)","Conway, J. (ORCID:0000000327195779)","Cox, P. T. (ORCID:0000000312182828)","Erbacher, R. (ORCID:0000000171708944)","Haza, G. (ORCID:0009000113263956)","Jensen, F. (ORCID:0000000337699081)","Kukral, O. (ORCID:0009000738586659)","Mocellin, G. (ORCID:0000000215313478)","Mulhearn, M. (ORCID:0000000311456436)","Pellett, D. (ORCID:0009000003898571)","Regnery, B. (ORCID:000000031539923X)","Yao, Y. (ORCID:0000000259904245)","Zhang, F. (ORCID:0000000261582468)","Bachtis, M. (ORCID:0000000331100701)","Cousins, R. (ORCID:0000000259630467)","Datta, A. (ORCID:0000000326957719)","Hauser, J. (ORCID:0000000297814873)","Ignatenko, M. (ORCID:0000000182585863)","Iqbal, M. A. (ORCID:0000000186641949)","Lam, T. (ORCID:0000000208627348)","Manca, E. (ORCID:000000018946655X)","Nash, W. A. (ORCID:0009000436338967)","Saltzberg, D. (ORCID:0000000306589146)","Stone, B. (ORCID:0000000293975231)","Valuev, V. (ORCID:0000000207836703)","Clare, R. (ORCID:0000000332935305)","Gary, J. W. (ORCID:0000000301755731)","Gordon, M.","Hanson, G. (ORCID:0000000272734009)","Long, O. R. (ORCID:0000000221807634)","Manganelli, N. (ORCID:0000000233984531)","Si, W. (ORCID:0000000258796326)","Wimpenny, S. (ORCID:0000000305054908)","Branson, J. G. (ORCID:0009000956834614)","Cittolin, S. (ORCID:0000000209229587)","Cooperstein, S. (ORCID:0000000302623132)","Diaz, D. (ORCID:0000000168341176)","Duarte, J. (ORCID:0000000250767096)","Gerosa, R. (ORCID:0000000183593734)","Giannini, L. (ORCID:0000000256217706)","Guiang, J. (ORCID:0000000221558260)","Kansal, R. (ORCID:0000000324451060)","Krutelyov, V. (ORCID:0000000213860232)","Lee, R. (ORCID:0009000046340797)","Letts, J. (ORCID:0000000201561251)","Masciovecchio, M. (ORCID:0000000282009425)","Mokhtar, F. (ORCID:0000000325333402)","Pieri, M. (ORCID:0000000333036301)","Quinnan, M. (ORCID:0000000329025597)","Sathia Narayanan, B. V. (ORCID:0000000320765126)","Sharma, V. (ORCID:0000000317368795)","Tadel, M. (ORCID:0000000188000045)","Vourliotis, E. (ORCID:0000000222700492)","Würthwein, F. (ORCID:0000000159126124)","Xiang, Y. (ORCID:0000000341127457)","Yagil, A. (ORCID:0000000261084004)","Campagnari, C. (ORCID:0000000289788177)","Citron, M. (ORCID:0000000162508465)","Collura, G. (ORCID:0000000241601844)","Dorsett, A. (ORCID:0000000153493011)","Incandela, J. (ORCID:0000000198502030)","Kilpatrick, M. (ORCID:0000000226020566)","Kim, J. (ORCID:0000000220726082)","Li, A. J. (ORCID:000000023895717X)","Masterson, P. (ORCID:0000000268907624)","Mei, H. (ORCID:0000000298388327)","Oshiro, M. (ORCID:0000000222007516)","Richman, J. (ORCID:000000025189146X)","Sarica, U. (ORCID:0000000215574424)","Schmitz, R. (ORCID:000000032328677X)","Setti, F. (ORCID:0000000198007822)","Sheplock, J. (ORCID:0000000287521946)","Siddireddy, P.","Stuart, D. (ORCID:0000000249650747)","Wang, S. (ORCID:0000000178871728)","Bornheim, A. (ORCID:0000000201280871)","Cerri, O.","Dutta, I. (ORCID:0000000309534503)","Latorre, A.","Lawhorn, J. M. (ORCID:0000000285979259)","Mao, J. (ORCID:0009000289889987)","Newman, H. B. (ORCID:0000000309641480)","Nguyen, T. Q. (ORCID:0000000339545131)","Spiropulu, M. (ORCID:0000000181727081)","Vlimant, J. R. (ORCID:000000029705101X)","Wang, C. (ORCID:0000000201177196)","Xie, S. (ORCID:0000000325095731)","Zhu, R. Y. (ORCID:0000000330917461)","Alison, J. (ORCID:0000000308431641)","An, S. (ORCID:0000000297401622)","Andrews, M. B. (ORCID:0000000155374518)","Bryant, P. (ORCID:0000000181456322)","Dutta, V. (ORCID:000000015958829X)","Ferguson, T. (ORCID:0000000158223731)","Harilal, A. (ORCID:0000000196251987)","Liu, C. (ORCID:0000000231007294)","Mudholkar, T. (ORCID:0000000293528140)","Murthy, S. (ORCID:0000000212779168)","Paulini, M. (ORCID:0000000267145787)","Roberts, A. (ORCID:0000000251390550)","Sanchez, A. (ORCID:0000000254316989)","Terrill, W. (ORCID:0000000220788419)","Cumalat, J. P. (ORCID:0000000260325857)","Ford, W. T. (ORCID:0000000187036943)","Hassani, A. (ORCID:0009000843227682)","Karathanasis, G. (ORCID:0000000151155828)","MacDonald, E.","Marini, F. (ORCID:0000000223746433)","Perloff, A. (ORCID:0000000152300396)","Savard, C. (ORCID:0009000075070570)","Schonbeck, N. (ORCID:0009000834307269)","Stenson, K. (ORCID:000000034888205X)","Ulmer, K. A. (ORCID:0000000168759177)","Wagner, S. R. (ORCID:0000000292695772)","Zipper, N. (ORCID:0000000248058020)","Alexander, J. (ORCID:000000022046342X)","Bright-Thonney, S. (ORCID:0000000318897824)","Chen, X. (ORCID:0000000281571328)","Cranshaw, D. J. (ORCID:0000000274982129)","Fan, J. (ORCID:0009000337289960)","Fan, X. (ORCID:0000000320670127)","Gadkari, D. (ORCID:0000000266258085)","Hogan, S. (ORCID:0000000336572281)","Monroy, J. (ORCID:0000000273944710)","Patterson, J. R. (ORCID:0000000238153649)","Reichert, J. (ORCID:0000000321108021)","Reid, M. (ORCID:0000000177061416)","Ryd, A. (ORCID:0000000158491912)","Thom, J. (ORCID:0000000248708468)","Wittich, P. (ORCID:0000000274012181)","Zou, R. (ORCID:0000000205421264)","Albrow, M. (ORCID:0000000173294925)","Alyari, M. (ORCID:0000000192683360)","Apollinari, G. (ORCID:0000000252125396)","Apresyan, A. (ORCID:0000000261860130)","Bauerdick, L. T. (ORCID:0000000271709012)","Berry, D. (ORCID:0000000253838320)","Berryhill, J. (ORCID:0000000281243033)","Bhat, P. C. (ORCID:0000000333709246)","Burkett, K. (ORCID:0000000222844744)","Butler, J. N. (ORCID:0000000207458618)","Canepa, A. (ORCID:0000000340453998)","Cerati, G. B. (ORCID:0000000335480262)","Cheung, H. K. (ORCID:0000000163899357)","Chlebana, F. (ORCID:0000000287628559)","Di Petrillo, K. F. (ORCID:0000000180014602)","Dickinson, J. (ORCID:0000000154505328)","Elvira, V. D. (ORCID:0000000344464395)","Feng, Y. (ORCID:000000032812338X)","Freeman, J. (ORCID:0000000234155671)","Gandrakota, A. (ORCID:0000000348603233)","Gecse, Z. (ORCID:0009000965613418)","Gray, L. (ORCID:0000000264084288)","Green, D.","Grünendahl, S. (ORCID:0000000248570294)","Guerrero, D. (ORCID:0000000155525400)","Gutsche, O. (ORCID:0000000280159622)","Harris, R. M. (ORCID:0000000314613425)","Heller, R. (ORCID:0000000273686723)","Herwig, T. C. (ORCID:0000000242806382)","Hirschauer, J. (ORCID:0000000282440805)","Horyn, L. (ORCID:0000000295124932)","Jayatilaka, B. (ORCID:0000000179125612)","Jindariani, S. (ORCID:0009000070466533)","Johnson, M. (ORCID:0000000177578458)","Joshi, U. (ORCID:0000000183750760)","Klijnsma, T. (ORCID:0000000316756040)","Klima, B. (ORCID:0000000236917625)","Kwok, K. M. (ORCID:0000000286936146)","Lammel, S. (ORCID:000000030027635X)","Lincoln, D. (ORCID:0000000205997407)","Lipton, R. (ORCID:0000000266657289)","Liu, T. (ORCID:0009000765225605)","Madrid, C. (ORCID:0000000333012246)","Maeshima, K. (ORCID:000900002822897X)","Mantilla, C. (ORCID:0000000201775903)","Mason, D. (ORCID:0000000200745390)","McBride, P. (ORCID:0000000161597750)","Merkel, P. (ORCID:0000000347275442)","Mrenna, S. (ORCID:000000018731160X)","Nahn, S. (ORCID:0000000289490178)","Ngadiuba, J. (ORCID:0000000200552935)","Noonan, D. (ORCID:0000000239323769)","Norberg, S.","Papadimitriou, V. (ORCID:0000000206907186)","Pastika, N. (ORCID:0009000609936245)","Pedro, K. (ORCID:0000000322609151)","Pena, C. (ORCID:0000000245007930)","Ravera, F. (ORCID:0000000336320287)","Reinsvold Hall, A. (ORCID:0000000316538553)","Ristori, L. (ORCID:0000000319502492)","Sexton-Kennedy, E. (ORCID:0000000191711980)","Smith, N. (ORCID:0000000203243054)","Soha, A. (ORCID:0000000259681192)","Spiegel, L. (ORCID:0000000196721328)","Strait, J. (ORCID:0000000272338348)","Taylor, L. (ORCID:0000000265842538)","Tkaczyk, S. (ORCID:0000000176425185)","Tran, N. V. (ORCID:0000000284406854)","Uplegger, L. (ORCID:000000029202803X)","Vaandering, E. W. (ORCID:0000000332076950)","Zoi, I. (ORCID:0000000257389446)","Avery, P. (ORCID:000000030609627X)","Bourilkov, D. (ORCID:0000000302604935)","Cadamuro, L. (ORCID:000000018789610X)","Chang, P. (ORCID:0000000220956320)","Cherepanov, V. (ORCID:0000000267484850)","Field, R. D.","Koenig, E. (ORCID:0000000208847922)","Kolosova, M. (ORCID:0000000258382158)","Konigsberg, J. (ORCID:0000000168508765)","Korytov, A. (ORCID:0000000192393398)","Kuznetsova, E. (ORCID:0000000255108305)","Lo, K. H.","Matchev, K. (ORCID:0000000341829096)","Menendez, N. (ORCID:0000000232953194)","Mitselmakher, G. (ORCID:0000000157453658)","Muthirakalayil Madhu, A. (ORCID:0000000312093032)","Rawal, N. (ORCID:0000000277343170)","Rosenzweig, D. (ORCID:0000000236875189)","Rosenzweig, S. (ORCID:0000000256131507)","Shi, K. (ORCID:0000000224750055)","Wang, J. (ORCID:0000000338794873)","Wu, Z. (ORCID:0000000321659501)","Adams, T. (ORCID:0000000180495143)","Askew, A. (ORCID:0000000271721396)","Bower, N. (ORCID:0000000187750696)","Habibullah, R. (ORCID:0000000231618300)","Hagopian, V. (ORCID:0000000237911989)","Kolberg, T. (ORCID:0000000202116109)","Martinez, G.","Prosper, H. (ORCID:0000000240772713)","Viazlo, O. (ORCID:0000000229570301)","Wulansatiti, M. (ORCID:0000000167943079)","Yohay, R. (ORCID:0000000201249065)","Zhang, J.","Baarmand, M. M. (ORCID:0000000297928619)","Butalla, S. (ORCID:0000000334239581)","Elkafrawy, T. (ORCID:0000000199306445)","Hohlmann, M. (ORCID:0000000345789319)","Kumar Verma, R. (ORCID:000000028264156X)","Rahmani, M.","Yumiceva, F. (ORCID:0000000324365074)","Adams, M. R. (ORCID:0000000184933737)","Cavanaugh, R. (ORCID:0000000171693420)","Dittmer, S. (ORCID:0000000253599614)","Evdokimov, O. (ORCID:0000000212508931)","Gerber, C. E. (ORCID:0000000281169021)","Hofman, D. J. (ORCID:0000000224493845)","Lemos, D. S. (ORCID:0000000319828978)","Merrit, A. H. (ORCID:0000000339226464)","Mills, C. (ORCID:0000000180354818)","Oh, G. (ORCID:0000000307441063)","Roy, T. (ORCID:0000000172997653)","Rudrabhatla, S. (ORCID:0000000273664225)","Tonjes, M. B. (ORCID:0000000226179315)","Varelas, N. (ORCID:0000000293975514)","Wang, X. (ORCID:0000000327928493)","Ye, Z. (ORCID:0000000160916772)","Yoo, J. (ORCID:0000000238261332)","Alhusseini, M. (ORCID:000000029239470X)","Dilsiz, K. (ORCID:0000000301383368)","Emediato, L. (ORCID:0000000230215032)","Karaman, G. (ORCID:0000000187399648)","Köseyan, O. K. (ORCID:0000000190403468)","Merlo, J. -P.","Mestvirishvili, A. (ORCID:0000000285915247)","Nachtman, J. (ORCID:0000000339513420)","Neogi, O.","Ogul, H. (ORCID:0000000251212893)","Onel, Y. (ORCID:0000000281417769)","Penzo, A. (ORCID:000000033436047X)","Snyder, C.","Tiras, E. (ORCID:0000000256287464)","Amram, O. (ORCID:0000000237653123)","Blumenfeld, B. (ORCID:0000000311501735)","Corcodilos, L. (ORCID:0000000167513108)","Davis, J. (ORCID:0000000164886195)","Gritsan, A. V. (ORCID:0000000235457970)","Kyriacou, S. (ORCID:0000000292544368)","Maksimovic, P. (ORCID:0000000223582168)","Roskes, J. (ORCID:0000000187610490)","Sekhar, S. (ORCID:0000000283077518)","Swartz, M. (ORCID:0000000202865070)","Vámi, T. Á. (ORCID:0000000209599211)","Abreu, A. (ORCID:0000000290002215)","Alcerro Alcerro, L. F. (ORCID:0000000157705077)","Anguiano, J. (ORCID:000000027349350X)","Baringer, P. (ORCID:0000000236918388)","Bean, A. (ORCID:0000000159678674)","Flowers, Z. (ORCID:0000000183142052)","King, J. (ORCID:0000000196529854)","Krintiras, G. (ORCID:0000000203807577)","Lazarovits, M. (ORCID:0000000255653119)","Le Mahieu, C. (ORCID:0000000159241130)","Lindsey, C.","Marquez, J. (ORCID:0000000338874048)","Minafra, N. (ORCID:0000000340021888)","Murray, M. (ORCID:0000000172194818)","Nickel, M. (ORCID:0000000304191329)","Rogan, C. (ORCID:0000000241664503)","Royon, C. (ORCID:0000000276729709)","Salvatico, R. (ORCID:0000000227510567)","Sanders, S. (ORCID:0000000294916022)","Smith, C. (ORCID:0000000305050528)","Wang, Q. (ORCID:0000000338043244)","Wilson, G. (ORCID:0000000309174763)","Allmond, B. (ORCID:0000000255937736)","Duric, S.","Ivanov, A. (ORCID:0000000292705643)","Kaadze, K. (ORCID:000000030571163X)","Kalogeropoulos, A. (ORCID:0000000334440314)","Kim, D.","Maravin, Y. (ORCID:0000000294490666)","Mitchell, T.","Modak, A.","Nam, K.","Roy, D. (ORCID:0000000286597762)","Rebassoo, F. (ORCID:0000000189349329)","Wright, D. (ORCID:0000000235863354)","Adams, E. (ORCID:0000000328092683)","Baden, A. (ORCID:0000000261593861)","Baron, O.","Belloni, A. (ORCID:000000021727656X)","Bethani, A. (ORCID:0000000281507043)","Eno, S. C. (ORCID:0000000342822515)","Hadley, N. J. (ORCID:0000000212096471)","Jabeen, S. (ORCID:0000000201557383)","Kellogg, R. G. (ORCID:000000019235521X)","Koeth, T. (ORCID:0000000200820514)","Lai, Y. (ORCID:0000000277958693)","Lascio, S. (ORCID:0000000185795874)","Mignerey, A. C. (ORCID:0000000151646969)","Nabili, S. (ORCID:0000000268931018)","Palmer, C. (ORCID:0000000258015737)","Papageorgakis, C. (ORCID:0000000345480346)","Wang, L. (ORCID:0000000334430626)","Wong, K. (ORCID:0000000296981354)","Busza, W. (ORCID:0000000238319071)","Cali, I. A. (ORCID:0000000228223375)","Chen, Y. (ORCID:0000000325826469)","D\'Alfonso, M. (ORCID:0000000274097904)","Eysermans, J. (ORCID:0000000164837123)","Freer, C. (ORCID:0000000279674635)","Gomez-Ceballos, G. (ORCID:0000000316839460)","Goncharov, M.","Harris, P.","Kovalskyi, D. (ORCID:000000026923293X)","Krupa, J. (ORCID:0000000307857552)","Lee, Y. -J. (ORCID:0000000325937767)","Long, K. (ORCID:0000000306641653)","Mironov, C. (ORCID:0000000285992437)","Paus, C. (ORCID:0000000260474211)","Rankin, D. (ORCID:0000000184119620)","Roland, C. (ORCID:0000000273125854)","Roland, G. (ORCID:0000000189832169)","Shi, Z. (ORCID:0000000154988825)","Stephans, G. F. (ORCID:0000000331064894)","Wang, J.","Wang, Z. (ORCID:0000000230743767)","Wyslouch, B. (ORCID:0000000336810649)","Yang, T. J. (ORCID:0000000343174660)","Chatterjee, R. M.","Crossman, B. (ORCID:0000000227005085)","Hiltbrand, J. (ORCID:0000000316915937)","Joshi, B. M. (ORCID:0000000247230968)","Kapsiak, C. (ORCID:0009000877435316)","Krohn, M. (ORCID:0000000217112506)","Kubota, Y. (ORCID:0000000161464827)","Mahon, D. (ORCID:0000000226405941)","Mans, J. (ORCID:0000000328401087)","Revering, M. (ORCID:0000000150510293)","Rusack, R. (ORCID:000000027633749X)","Saradhy, R. (ORCID:000000018720293X)","Schroeder, N. (ORCID:0000000283366141)","Strobbe, N. (ORCID:0000000188358282)","Wadud, M. A. (ORCID:0000000206530761)","Cremaldi, L. M. (ORCID:0000000155507827)","Bloom, K. (ORCID:0000000242728900)","Bryson, M.","Claes, D. R. (ORCID:0000000341988919)","Fangmeier, C. (ORCID:0000000259988047)","Finco, L. (ORCID:0000000226305465)","Golf, F. (ORCID:0000000335679351)","Joo, C. (ORCID:0000000256614330)","Kamalieddin, R.","Kravchenko, I. (ORCID:0000000300680395)","Reed, I. (ORCID:0000000218238856)","Siado, J. E. (ORCID:000000029757470X)","Snow, G. R.","Tabb, W. (ORCID:0000000295424847)","Wightman, A. (ORCID:0000000166515320)","Yan, F. (ORCID:0000000240420785)","Zecchinelli, A. G. (ORCID:000000018986278X)","Agarwal, G. (ORCID:0000000225935297)","Bandyopadhyay, H. (ORCID:0000000197264915)","Hay, L. (ORCID:0000000270867641)","Iashvili, I. (ORCID:0000000319485901)","Kharchilava, A. (ORCID:0000000239130326)","McLean, C. (ORCID:0000000274504805)","Morris, M. (ORCID:0000000228306488)","Nguyen, D. (ORCID:0000000251858504)","Pekkanen, J. (ORCID:0000000266817668)","Rappoccio, S. (ORCID:0000000254492560)","Williams, A. (ORCID:0000000340556532)","Alverson, G. (ORCID:0000000166511178)","Barberis, E. (ORCID:0000000264175913)","Haddad, Y. (ORCID:0000000349167752)","Han, Y. (ORCID:0000000235106505)","Krishna, A. (ORCID:000000024319818X)","Li, J. (ORCID:0000000152452074)","Lidrych, J. (ORCID:0000000314390196)","Madigan, G. (ORCID:0000000187965865)","Marzocchi, B. (ORCID:0000000166876214)","Morse, D. M. (ORCID:0000000331632169)","Nguyen, V. (ORCID:0000000312789208)","Orimoto, T. (ORCID:0000000283883341)","Parker, A. (ORCID:0000000294213335)","Skinnari, L. (ORCID:0000000220196755)","Tishelman-Charny, A. (ORCID:0000000273325098)","Wamorkar, T. (ORCID:0000000155515456)","Wang, B. (ORCID:0000000307962475)","Wisecarver, A. (ORCID:0009000416082001)","Wood, D. (ORCID:000000026477801X)","Bhattacharya, S. (ORCID:0000000205266161)","Bueghly, J.","Chen, Z. (ORCID:0000000345216086)","Gilbert, A. (ORCID:0000000175605790)","Hahn, K. A. (ORCID:0000000178921676)","Liu, Y. (ORCID:0000000255881760)","Odell, N. (ORCID:0000000171550665)","Schmitt, M. H. (ORCID:0000000308143578)","Velasco, M.","Band, R. (ORCID:0000000348730523)","Bucci, R.","Cremonesi, M.","Das, A. (ORCID:0000000191159698)","Goldouzian, R. (ORCID:000000020295249X)","Hildreth, M. (ORCID:0000000244543934)","Hurtado Anampa, K. (ORCID:0000000297793566)","Jessop, C. (ORCID:0000000268853611)","Lannon, K. (ORCID:0000000297060098)","Lawrence, J. (ORCID:0000000163267210)","Loukas, N. (ORCID:0000000300496918)","Lutton, L. (ORCID:0000000232124505)","Mariano, J.","Marinelli, N.","Mcalister, I.","McCauley, T. (ORCID:0000000165898286)","Mcgrady, C. (ORCID:0000000288212045)","Mohrman, K. (ORCID:0009000729400496)","Moore, C. (ORCID:0000000281404183)","Musienko, Y. (ORCID:0009000635451938)","Ruchti, R. (ORCID:0000000231511386)","Townsend, A. (ORCID:000000023696689X)","Wayne, M. (ORCID:0000000182046157)","Yockey, H.","Zarucki, M. (ORCID:0000000315105772)","Zygala, L. (ORCID:0000000196657282)","Bylsma, B.","Carrigan, M. (ORCID:0000000305385854)","Durkin, L. S. (ORCID:0000000204771051)","Hill, C. (ORCID:0000000300590779)","Joyce, M. (ORCID:0000000311125880)","Lesauvage, A. (ORCID:0000000334377845)","Nunez Ornelas, M. (ORCID:0000000326637379)","Wei, K.","Winer, B. L. (ORCID:0000000199804698)","Yates, B. R. (ORCID:0000000173661318)","Addesa, F. M. (ORCID:0000000304845804)","Das, P. (ORCID:0000000297701377)","Dezoort, G. (ORCID:0000000258900445)","Elmer, P. (ORCID:0000000168303356)","Frankenthal, A. (ORCID:0000000225835982)","Greenberg, B. (ORCID:0000000249221934)","Haubrich, N. (ORCID:0000000276258169)","Higginbotham, S. (ORCID:0000000244365461)","Kopp, G. (ORCID:0000000181600208)","Kwan, S. (ORCID:0000000253087707)","Lange, D. (ORCID:0000000290865184)","Loeliger, A. (ORCID:0000000250171487)","Marlow, D. (ORCID:0000000263951079)","Ojalvo, I. (ORCID:0000000314556272)","Olsen, J. (ORCID:0000000293615762)","Stickland, D. (ORCID:0000000347028820)","Tully, C. (ORCID:0000000167712174)","Malik, S. (ORCID:0000000263562655)","Bakshi, A. S. (ORCID:0000000228576883)","Barnes, V. E. (ORCID:0000000169393445)","Chawla, R. (ORCID:0000000348026819)","Das, S. (ORCID:0000000167019265)","Gutay, L.","Jones, M. (ORCID:0000000299514583)","Jung, A. W. (ORCID:0000000330683212)","Kondratyev, D. (ORCID:0000000278742480)","Koshy, A. M.","Liu, M. (ORCID:000000019012395X)","Negro, G. (ORCID:0000000214182154)","Neumeister, N. (ORCID:0000000323561700)","Paspalaki, G. (ORCID:0000000168151065)","Piperov, S. (ORCID:0000000292667819)","Purohit, A. (ORCID:000000030881612X)","Schulte, J. F. (ORCID:000000034421680X)","Stojanovic, M. (ORCID:0000000215420855)","Thieman, J. (ORCID:0000000176846588)","Virdi, A. K. (ORCID:0000000208668932)","Wang, F. (ORCID:0000000283130809)","Xiao, R. (ORCID:0000000172928527)","Xie, W. (ORCID:0000000314309191)","Dolen, J. (ORCID:0000000311413823)","Parashar, N. (ORCID:0009000917170413)","Acosta, D. (ORCID:0000000153671738)","Baty, A. (ORCID:0000000153103466)","Carnahan, T. (ORCID:0000000174923201)","Dildick, S. (ORCID:0000000305544755)","Ecklund, K. M. (ORCID:0000000269764637)","Fernández Manteca, P. J. (ORCID:0000000325667496)","Freed, S.","Gardner, P.","Geurts, F. M. (ORCID:0000000328569090)","Kumar, A. (ORCID:0000000251806595)","Li, W. (ORCID:0000000341363409)","Padley, B. P. (ORCID:0000000235725701)","Redjimi, R.","Rotter, J. (ORCID:0009000940407407)","Yang, S. (ORCID:0000000220758631)","Yigitbasi, E. (ORCID:0000000295952623)","Zhang, Y. (ORCID:000000026812761X)","Bodek, A. (ORCID:0000000304090341)","de Barbaro, P. (ORCID:0000000255081827)","Demina, R. (ORCID:000000027852167X)","Dulemba, J. L. (ORCID:0000000298427015)","Fallon, C.","Garcia-Bellido, A. (ORCID:0000000214071972)","Hindrichs, O. (ORCID:0000000176405264)","Khukhunaishvili, A. (ORCID:0000000238341316)","Parygin, P. (ORCID:0000000167433781)","Popova, E. (ORCID:0000000175568969)","Taus, R. (ORCID:0000000251682932)","Van Onsem, G. P. (ORCID:0000000216642337)","Goulianos, K. (ORCID:0000000262309535)","Chiarito, B.","Chou, J. P. (ORCID:000000016315905X)","Gershtein, Y. (ORCID:0000000248715449)","Halkiadakis, E. (ORCID:0000000235847856)","Hart, A. (ORCID:0000000323496582)","Heindl, M. (ORCID:000000022831463X)","Jaroslawski, D. (ORCID:0000000324971242)","Karacheban, O. (ORCID:0000000227853762)","Laflotte, I. (ORCID:0000000273668090)","Lath, A. (ORCID:0000000302289760)","Montalvo, R.","Nash, K.","Osherson, M. (ORCID:0000000297609976)","Routray, H. (ORCID:0000000296944625)","Salur, S. (ORCID:0000000249959285)","Schnetzer, S.","Somalwar, S. (ORCID:0000000288567401)","Stone, R. (ORCID:000000016229695X)","Thayil, S. A. (ORCID:0000000214690335)","Thomas, S.","Wang, H. (ORCID:0000000230270752)","Acharya, H.","Delannoy, A. G. (ORCID:0000000312526213)","Fiorendi, S. (ORCID:0000000332739419)","Holmes, T. (ORCID:0000000239595174)","Nibigira, E. (ORCID:000000015821291X)","Spanier, S. (ORCID:0000000270494646)","Bouhali, O. (ORCID:0000000171397322)","Dalchenko, M. (ORCID:000000020137136X)","Delgado, A. (ORCID:0000000334537204)","Eusebi, R. (ORCID:0000000333226287)","Gilmore, J. (ORCID:0000000199110143)","Huang, T. (ORCID:0000000207935664)","Kamon, T. (ORCID:0000000155657868)","Kim, H. (ORCID:0000000349861728)","Luo, S. (ORCID:0000000331224245)","Malhotra, S.","Mueller, R. (ORCID:0000000267236689)","Overton, D. (ORCID:0009000906488151)","Rathjens, D. (ORCID:0000000284201488)","Safonov, A. (ORCID:0000000194975471)","Akchurin, N. (ORCID:0000000261274350)","Damgov, J. (ORCID:0000000338632567)","Hegde, V. (ORCID:0000000349522873)","Lamichhane, K. (ORCID:0000000301527683)","Lee, S. W. (ORCID:0000000233888339)","Mengke, T.","Muthumuni, S. (ORCID:0000000304326895)","Peltola, T. (ORCID:0000000247324008)","Volobouev, I. (ORCID:0000000220876128)","Whitbeck, A. (ORCID:0000000342245164)","Appelt, E. (ORCID:0000000333894584)","Greene, S.","Gurrola, A. (ORCID:0000000227934052)","Johns, W. (ORCID:0000000152918903)","Melo, A. (ORCID:0000000334738858)","Romeo, F. (ORCID:0000000212976065)","Sheldon, P. (ORCID:0000000315505223)","Tuo, S. (ORCID:0000000161420429)","Velkovska, J. (ORCID:0000000314235241)","Viinikainen, J. (ORCID:0000000325304265)","Cardwell, B. (ORCID:0000000155530891)","Cox, B. (ORCID:0000000337524759)","Cummings, G. (ORCID:0000000280457806)","Hakala, J. (ORCID:0000000195863316)","Hirosky, R. (ORCID:0000000303046330)","Ledovskoy, A. (ORCID:0000000348610943)","Li, A. (ORCID:000000024547116X)","Neu, C. (ORCID:0000000336448627)","Perez Lara, C. E. (ORCID:0000000301998864)","Karchin, P. E. (ORCID:0000000312843470)","Aravind, A.","Banerjee, S. (ORCID:000000017880922X)","Black, K. (ORCID:0000000173205080)","Bose, T. (ORCID:0000000180265380)","Dasu, S. (ORCID:0000000159939045)","De Bruyn, I. (ORCID:0000000317044360)","Everaerts, P. (ORCID:000000033848324X)","Galloni, C.","He, H. (ORCID:0009000839062037)","Herndon, M. (ORCID:0000000330431090)","Herve, A. (ORCID:0000000219592363)","Koraka, C. K. (ORCID:0000000245489992)","Lanaro, A.","Loveless, R. (ORCID:0000000225624405)","Sreekala, J. Madhusudanan (ORCID:000000032590763X)","Mallampalli, A. (ORCID:0000000237938516)","Mohammadi, A. (ORCID:000000018152927X)","Mondal, S.","Parida, G. (ORCID:0000000196654575)","Pinna, D.","Savin, A.","Shang, V. (ORCID:0000000214366092)","Sharma, V. (ORCID:0000000312871471)","Smith, W. H. (ORCID:0000000331950909)","Teague, D.","Tsoi, H. F. (ORCID:0000000225502184)","Vetens, W. (ORCID:0000000310581163)","Warden, A. (ORCID:0000000174637360)","Afanasiev, S. (ORCID:000900068766226X)","Andreev, V. (ORCID:0000000254926920)","Andreev, Yu (ORCID:0000000273979665)","Aushev, T. (ORCID:0000000263477055)","Azarkin, M. (ORCID:0000000274481447)","Babaev, A. (ORCID:0000000188763886)","Belyaev, A. (ORCID:0000000316921173)","Blinov, V.","Boos, E. (ORCID:0000000201935073)","Borshch, V. (ORCID:0000000254791982)","Budkouski, D. (ORCID:0000000220291007)","Chadeeva, M. (ORCID:0000000318141218)","Chekhovsky, V.","Danilov, M. (ORCID:0000000192275164)","Demiyanov, A. (ORCID:0000000324907195)","Dermenev, A. (ORCID:000000015619376X)","Dimova, T. (ORCID:0000000295600660)","Dremin, I. (ORCID:000000017451247X)","Epshteyn, V. (ORCID:0000000288636374)","Ershov, A. (ORCID:000000015779142X)","Gavrilov, G. (ORCID:0000000196897999)","Gavrilov, V. (ORCID:0000000296172928)","Gninenko, S. (ORCID:0000000164957619)","Golovtcov, V. (ORCID:0000000205950297)","Golubev, N. (ORCID:0000000295047754)","Golutvin, I. (ORCID:0009000765080215)","Gorbunov, I. (ORCID:0000000337776606)","Gribushin, A. (ORCID:0000000252524645)","Ivanov, Y. (ORCID:0000000151637632)","Kachanov, V. (ORCID:000000023062010X)","Kardapoltsev, L. (ORCID:0009000035019607)","Karjavine, V. (ORCID:0000000253263854)","Karneyeu, A. (ORCID:0000000199831004)","Khein, L.","Kim, V. (ORCID:0000000171612133)","Kirakosyan, M.","Kirpichnikov, D. (ORCID:000000027177077X)","Kirsanov, M. (ORCID:0000000288796538)","Kodolova, O. (ORCID:0000000313424251)","Konstantinov, D. (ORCID:0000000166737273)","Korenkov, V. (ORCID:0000000223427862)","Korotkikh, V.","Kozyrev, A. (ORCID:0000000306849235)","Krasnikov, N. (ORCID:0000000287176492)","Lanev, A. (ORCID:0000000182447321)","Levchenko, P. (ORCID:0000000349130538)","Litomin, A.","Lychkovskaya, N. (ORCID:0000000150849019)","Makarenko, V. (ORCID:0000000284068605)","Malakhov, A. (ORCID:0000000185698409)","Matveev, V. (ORCID:0000000227455908)","Murzin, V. (ORCID:0000000205544627)","Nikitenko, A. (ORCID:0000000219335383)","Obraztsov, S. (ORCID:0009000111522758)","Ovtin, I. (ORCID:0000000225831412)","Palichik, V. (ORCID:0009000803561061)","Perelygin, V. (ORCID:0009000550394874)","Petrushanko, S. (ORCID:0000000302109061)","Popov, V.","Radchenko, O. (ORCID:0000000171169469)","Rusinov, V.","Savina, M. (ORCID:0000000290207384)","Savrin, V. (ORCID:0009000039732485)","Selivanova, D. (ORCID:0000000270319434)","Shalaev, V. (ORCID:0000000228936922)","Shmatov, S. (ORCID:0000000153548350)","Shulha, S. (ORCID:000000024265928X)","Skovpen, Y. (ORCID:0000000233160604)","Slabospitskii, S. (ORCID:0000000181782494)","Smirnov, V. (ORCID:0000000290499196)","Snigirev, A. (ORCID:0000000329526156)","Sosnov, D. (ORCID:0000000274528380)","Sulimov, V. (ORCID:0009000986456685)","Tcherniaev, E. (ORCID:0000000236850635)","Terkulov, A. (ORCID:0000000349853226)","Teryaev, O. (ORCID:0000000170029093)","Tlisova, I. (ORCID:0000000315522015)","Toropin, A. (ORCID:0000000221064041)","Uvarov, L. (ORCID:0000000276022527)","Uzunian, A. (ORCID:0000000270079020)","Vardanyan, I. (ORCID:0009000525722426)","Vorobyev, A.","Voytishin, N. (ORCID:0000000165906266)","Yuldashev, B. S.","Zarubin, A. (ORCID:0000000219646106)","Zhizhin, I. (ORCID:0000000161719682)","Zhokin, A. (ORCID:0000000171785907)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","73 NUCLEAR PHYSICS AND RADIATION PHYSICS","particle correlations and fluctuations","relativistic heavy-ion collisions"],"article_type":"Accepted Manuscript","contributing_org":"CMS Collaboration","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"},{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)","Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 2469-9985","other_identifiers":["Journal ID: ISSN 2469-9985; oai:inspirehep.net:2670243"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/1998920"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/1998920"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/1998920"}]}, {"osti_id":"2316135","title":"Rational Design Engineering of Glycoside Hydrolase Family 7 Cellobiohydrolases Informed by Natural Diversity Screening","report_number":"NREL/JA-2800-87398","doi":"10.1016/j.jbc.2024.105749","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Biological Chemistry","description":"Protein engineering and screening of processive fungal cellobiohydrolases (CBHs) remain challenging due to limited expression hosts, synergy-dependency, and recalcitrant substrates. In particular, GH7 CBHs are a family critically important for the bioeconomy as well as a methodology for improving these and other difficult to engineer enzymes. Here, we target the discovery of highly active natural GH7 CBHs and engineering of variants with improved activity. Using experimentally assayed activities of genome mined CBHs, we applied sequence and structural alignments to top performers to identify key point mutations linked to improved activity. From ~1500 known GH7 sequences, an evolutionarily diverse subset of 57 GH7 CBH genes was expressed in Trichoderma reesei and screened using a multiplexed activity screening assay. Ten catalytically enhanced natural variants were identified, produced, purified, and tested for efficacy using industrially-relevant conditions and substrates. Three key amino acids in CBHs with performance comparable or superior to Penicillium funiculosum Cel7A were identified and combinatorically engineered into P. funiculosum cel7a, expressed in T. reesei, and assayed on lignocellulosic biomass. The top performer generated using this combined approach of natural diversity genome mining, experimental assays, and computational modeling produced a 41% increase in conversion extent over native P. funiculosum Cel7A, a 55% increase over the current industrial standard T. reesei Cel7A, and 10% improvement over Aspergillus oryzae Cel7C, the best natural GH7 CBH previously identified in our laboratory.","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","journal_name":"Journal of Biological Chemistry","format":"Medium: X","authors":["Brunecky, Roman","Knott, Brandon C.","Subramanian, Venkataramanan","Linger, Jeffrey G.","Beckham, Gregg T. (ORCID:000000023480212X)","Amore, Antonella","Taylor II, Larry E.","Vander Wall, Todd","Lunin, Vladimir V.","Zheng, Fei","Garrido, Mercedes","Schuster, Logan","Fulk, Emily M.","Farmer, Samuel","Himmel, Michael E.","Decker, Stephen R. (ORCID:0000000170029034)"],"subjects":["INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","cellobiohydrolase","cellulase","cellulose","enzyme improvement","genomics","protein engineering","rational design"],"article_type":"","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"other_identifiers":["MainId:88173;UUID:5569bd84-7465-462f-bfb9-6dffdb26fef8;MainAdminId:71967"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316135"}]}, {"osti_id":"2305750","title":"Ground observations of a space laser for the assessment of its in-orbit\n\t\t\t\tperformance","doi":"10.1364/OPTICA.507619","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optica Journal Volume: 11 Journal Issue: 2","description":"<p>The wind mission Aeolus of the European Space Agency was a\n\t\t\t\t\tgroundbreaking achievement for Earth observation. Between 2018 and\n\t\t\t\t\t2023, the space-borne lidar instrument ALADIN onboard the Aeolus\n\t\t\t\t\tsatellite measured atmospheric wind profiles with global coverage,\n\t\t\t\t\twhich contributed to improving the accuracy of numerical weather\n\t\t\t\t\tprediction. The precision of the wind observations, however, declined\n\t\t\t\t\tover the course of the mission due to a progressive loss of the\n\t\t\t\t\tatmospheric backscatter signal. The analysis of the root cause was\n\t\t\t\t\tsupported by the Pierre Auger Observatory in Argentina whose\n\t\t\t\t\tfluorescence detector registered the ultraviolet laser pulses emitted\n\t\t\t\t\tfrom the instrument in space, thereby offering an estimation of the\n\t\t\t\t\tlaser energy at the exit of the instrument for several days in 2019,\n\t\t\t\t\t2020, and 2021. The reconstruction of the laser beam not only allowed\n\t\t\t\t\tfor an independent assessment of the Aeolus performance, but also\n\t\t\t\t\thelped to improve the accuracy in the determination of the laser\n\t\t\t\t\tbeam’s ground track on single pulse level. The results presented in\n\t\t\t\t\tthis paper set a precedent for the monitoring of space lasers by\n\t\t\t\t\tground-based telescopes and open new possibilities for the calibration\n\t\t\t\t\tof cosmic-ray observatories.<\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Optical Society of America","journal_name":"Optica","journal_issue":"2","journal_volume":"11","format":"Medium: X; Size: Article No. 263","authors":["The Pierre Auger Collaboration, ","Halim, A. Abdul","Abreu, P.","Aglietta, M.","Allekotte, I.","Cheminant, K. Almeida","Almela, A.","Aloisio, R.","Alvarez-Muñiz, J.","Yebra, J. Ammerman","Anastasi, G. A.","Anchordoqui, L.","Andrada, B.","Andringa, S.","Anukriti, ","Apollonio, L.","Aramo, C.","Ferreira, P. R. Araújo","Arnone, E.","Velázquez, J. C. Arteaga","Assis, P.","Avila, G.","Avocone, E.","Badescu, A. M.","Bakalova, A.","Barbato, F.","Mocellin, A. Bartz","Bellido, J. A.","Berat, C.","Bertaina, M. E.","Bhatta, G.","Bianciotto, M.","Biermann, P. L.","Binet, V.","Bismark, K.","Bister, T.","Biteau, J.","Blazek, J.","Bleve, C.","Blümer, J.","Boháčová, M.","Boncioli, D.","Bonifazi, C.","Arbeletche, L. Bonneau","Borodai, N.","Brack, J.","Orchera, P. G. Brichetto","Briechle, F. L.","Bueno, A.","Buitink, S.","Buscemi, M.","Bwembya, A.","Büsken, M.","Caballero-Mora, K. S.","Cabana-Freire, S.","Caccianiga, L.","Caruso, R.","Castellina, A.","Catalani, F.","Cataldi, G.","Cazon, L.","Cerda, M.","Cermenati, A.","Chinellato, J. A.","Chudoba, J.","Chytka, L.","Clay, R. W.","Cerutti, A. C. Cobos","Colalillo, R.","Coleman, A.","Coluccia, M. R.","Conceição, R.","Condorelli, A.","Consolati, G.","Conte, M.","Convenga, F.","dos Santos, D. Correia","Costa, P. J.","Covault, C. E.","Cristinziani, M.","Cruz Sanchez, C. S.","Dasso, S.","Daumiller, K.","Dawson, B. R.","de Almeida, R. M.","de Jesús, J.","de Jong, S. J.","de Mello Neto, J. R. T.","de Mitri, I.","de Oliveira, J.","de Oliveira Franco, D.","de Palma, F.","de Souza, V.","de Souza de Errico, B. P.","De Vito, E.","Del Popolo, A.","Deligny, O.","Denner, N.","Deval, L.","di Matteo, A.","Dobre, M.","Dobrigkeit, C.","D’Olivo, J. C.","Mendes, L. M. Domingues","Dorosti, Q.","dos Anjos, J. C.","dos Anjos, R. C.","Ebr, J.","Ellwanger, F.","Emam, M.","Engel, R.","Epicoco, I.","Erdmann, M.","Etchegoyen, A.","Evoli, C.","Falcke, H.","Farmer, J.","Farrar, G.","Fauth, A. C.","Fazzini, N.","Feldbusch, F.","Fenu, F.","Fernandes, A.","Fick, B.","Figueira, J. M.","Filipčič, A.","Fitoussi, T.","Flaggs, B.","Fodran, T.","Fujii, T.","Fuster, A.","Galea, C.","Galelli, C.","Garca, B.","Gaudu, C.","Gemmeke, H.","Gesualdi, F.","Gherghel-Lascu, A.","Ghia, P. L.","Giaccari, U.","Glombitza, J.","Gobbi, F.","Gollan, F.","Golup, G.","Gongora, J. P.","González, J. M.","González, N.","Goos, I.","Gorgi, A.","Gottowik, M.","Grubb, T. D.","Guarino, F.","Guedes, G. P.","Guido, E.","Berisso, M. Gómez","Vitale, P. F. Gómez","Góra, D.","Gülzow, L.","Hahn, S.","Hamal, P.","Hampel, M. R.","Hansen, P.","Harari, D.","Harvey, V. M.","Haungs, A.","Hebbeker, T.","Hojvat, C.","Horvath, P.","Hrabovský, M.","Huege, T.","Hörandel, J. R.","Insolia, A.","Isar, P. G.","Janecek, P.","Johnsen, J. A.","Jurysek, J.","Kampert, K. H.","Keilhauer, B.","Khakurdikar, A.","Covilakam, V. V. Kizakke","Klages, H. O.","Kleifges, M.","Knapp, F.","Kunka, N.","Köhler, J.","Lago, B. L.","Langner, N.","de Oliveira, M. A. Leigui","Lema-Capeans, Y.","Letessier-Selvon, A.","Lhenry-Yvon, I.","Lopes, L.","Lu, L.","Luce, Q.","Lundquist, J. P.","Machado Payeras, A.","Majercakova, M.","Mandat, D.","Manning, B. C.","Mantsch, P.","Marafico, S.","Mariani, F. M.","Mariazzi, A. G.","Mariş, I. C.","Marsella, G.","Martello, D.","Martinelli, S.","Martins, M. A.","Martínez Bravo, O.","Mathes, H. J.","Matthews, J.","Matthiae, G.","Mayotte, E.","Mayotte, S.","Mazur, P. O.","Medina-Tanco, G.","Meinert, J.","Melo, D.","Menshikov, A.","Merx, C.","Michal, S.","Micheletti, M. I.","Miramonti, L.","Mollerach, S.","Montanet, F.","Morejon, L.","Morello, C.","Mulrey, K.","Mussa, R.","Namasaka, W. M.","Negi, S.","Nellen, L.","Nguyen, K.","Nicora, G.","Niechciol, M.","Nitz, D.","Nosek, D.","Novotny, V.","Nožka, L.","Nucita, A.","Núñez, L. A.","Oliveira, C.","Palatka, M.","Pallotta, J.","Panja, S.","Parente, G.","Paulsen, T.","Pawlowsky, J.","Pech, M.","Pelayo, R.","Pereira, L. A. S.","Martins, E. E. Pereira","Armand, J. Perez","Perrone, L.","Petrera, S.","Petrucci, C.","Pierog, T.","Pimenta, M.","Platino, M.","Pont, B.","Pothast, M.","Shahvar, M. Pourmohammad","Privitera, P.","Prouza, M.","Puyleart, A.","Pérez Bertolli, C.","Pękala, J.","Querchfeld, S.","Rautenberg, J.","Ravignani, D.","Akim, J. V. Reginatto","Reininghaus, M.","Ridky, J.","Riehn, F.","Risse, M.","Rizi, V.","Carvalho, W. Rodrigues de","Rodriguez, E.","Rodriguez Rojo, J.","Roncoroni, M. J.","Rossoni, S.","Roth, M.","Roulet, E.","Rovero, A. C.","Ruehl, P.","Saftoiu, A.","Saharan, M.","Salamida, F.","Salazar, H.","Salina, G.","Sanabria Gomez, J. D.","Santos, E. M.","Santos, E.","Sarazin, F.","Sarmento, R.","Sato, R.","Savina, P.","Scherini, V.","Schieler, H.","Schimassek, M.","Schimp, M.","Schmidt, D.","Scholten, O.","Schoorlemmer, H.","Schovánek, P.","Schröder, F. G.","Schulte, J.","Schulz, T.","Schäfer, C. M.","Sciutto, S. J.","Scornavacche, M.","Segreto, A.","Sehgal, S.","Shivashankara, S. U.","Sigl, G.","Silli, G.","Sima, O.","Simkova, K.","Simon, F.","Smau, R.","Šmída, R.","Sommers, P.","Soriano, J. F.","Squartini, R.","Stadelmaier, M.","Stanič, S.","Stasielak, J.","Stassi, P.","Straub, M.","Strähnz, S.","Suomijärvi, T.","Supanitsky, A. D.","Svozilikova, Z.","Szadkowski, Z.","Sánchez, F.","Tairli, F.","Tapia, A.","Taricco, C.","Timmermans, C.","Tkachenko, O.","Tobiska, P.","Todero Peixoto, C. J.","Tomé, B.","Torrès, Z.","Travaini, A.","Travnicek, P.","Trimarelli, C.","Tueros, M.","Unger, M.","Vaclavek, L.","Vacula, M.","Valdés Galicia, J. F.","Valore, L.","Varela, E.","Veberič, D.","Ventura, C.","Vergara Quispe, I. D.","Verzi, V.","Vicha, J.","Vink, J.","Vlastimil, J.","Vorobiov, S.","Vásquez-Ramírez, A.","Watanabe, C.","Watson, A. A.","Weindl, A.","Wiencke, L.","Wilczyński, H.","Wittkowski, D.","Wundheiler, B.","Yue, B.","Yushkov, A.","Zapparrata, O.","Zas, E.","Zavrtanik, D.","Zavrtanik, M.","Lux, Oliver","Krisch, Isabell (ORCID:0000000314910323)","Reitebuch, Oliver (ORCID:0000000166467277)","Huber, Dorit (ORCID:0000000285030094)","Wernham, Denny","Parrinello, Tommaso"],"article_type":"Published Article","doe_contract_number":"AC02-07CH11359; FG02-99ER41107; FR02-04ER41300; SC0011689; MDM-2016-0692; FPA2015-68783-REDT","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2334-2536","other_identifiers":["Journal ID: ISSN 2334-2536"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305750"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305750"}]}, {"osti_id":"2323253","title":"Method to derive the infrared complex refractive indices <em>n(λ)<\/em> and <em>k(λ)<\/em> for organic solids from KBr pellet absorption measurements","report_number":"PNNL-SA-192634","doi":"10.1364/ao.514661","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Optics; Journal Volume: 63; Journal Issue: 6","description":"<p>\n Obtaining the complex refractive index vectors\n <italic>n<\/italic>\n (\n <italic>ν<\/italic>\n ~) and\n <italic>k<\/italic>\n (\n <italic>ν<\/italic>\n ~) allows calculation of the (infrared)\n\t\t\t\t\treflectance spectrum that is obtained from a solid in any of its many\n\t\t\t\t\tmorphological forms. We report an adaptation to the KBr pellet\n\t\t\t\t\ttechnique using two gravimetric dilutions to derive quantitative\n <italic>n<\/italic>\n (\n <italic>ν<\/italic>\n ~)/\n <italic>k<\/italic>\n (\n <italic>ν<\/italic>\n ~) for dozens of powders with greater\n\t\t\t\t\trepeatability. The optical constants of bisphenol A and sucrose are\n\t\t\t\t\tcompared to those derived by other methods, particularly for powdered\n\t\t\t\t\tmaterials. The variability of the\n <italic>k<\/italic>\n values for bisphenol A was examined\n\t\t\t\t\tby 10 individual measurements, showing an average coefficient of\n\t\t\t\t\tvariation for\n <italic>k<\/italic>\n peak heights of 5.6%. Though no\n\t\t\t\t\testablished standards exist, the pellet-derived\n <italic>k<\/italic>\n peak values of bisphenol A differ by\n\t\t\t\t\t11% and 31% from their single-angle- and ellipsometry-derived values,\n\t\t\t\t\trespectively. These values provide an initial estimate of the\n\t\t\t\t\tprecision and accuracy of complex refractive indices that can be\n\t\t\t\t\tderived using this method. Limitations and advantages of the method\n\t\t\t\t\tare discussed, the salient advantage being a more rapid method to\n\t\t\t\t\tderive\n <italic>n<\/italic>\n /\n <italic>k<\/italic>\n for those species that do not readily\n\t\t\t\t\tform crystals or specular pellets.\n <\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Optical Society of America","journal_name":"Applied Optics","journal_issue":"6","journal_volume":"63","format":"Medium: ED; Size: Article No. 1553","authors":["Peterson, Kelly A. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000273556611)","Francis, Ryan M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000239646090)","Banach, Catherine A. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Bradley, Ashley M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000173449640)","Burton, Sarah D. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Erickson, Jeremy D. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000223351159)","Lockwood, Schuyler P. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000335825179)","Jensen, Karissa L. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000349000194)","Yokosuk, Michael O. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000339817715)","Johnson, Timothy J. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000195146288)","Myers, Tanya L. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000189957033)"],"subjects":["46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY","chemical detection","ellipsometry","extinction coefficient","FTIR","infrared","infrared (IR) spectroscopy","optical constants","spectroscopy","spectroscopic ellipsometry","spectral libraries","refractive index","single-angle reflectance","solids"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 1559-128X","other_identifiers":["Journal ID: ISSN 1559-128X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323253"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323253"}]}, {"osti_id":"2308807","title":"Design, construction, and performance of the GEM based radial time projection chamber for the BONuS12 experiment with CLAS12","report_number":"JLAB-PHY-24-4000; DOE/OR/23177-7410","doi":"10.1016/j.nima.2024.169190","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment","description":"Here, a new radial time projection chamber based on Gas Electron Multiplier amplification layers was developed for the BONuS12 experiment in Hall B at Jefferson Lab. This device represents a significant evolutionary development over similar devices constructed for previous experiments, including cylindrical amplification layers constructed from single continuous GEM foils with less than 1% dead area. Particular attention had been paid to producing excellent geometric uniformity of all electrodes, including the very thin metalized polyester film of the cylindrical cathode. This manuscript describes the design, construction, and performance of this new detector.","publication_date":"2024-02-17T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Elsevier","journal_name":"Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment","format":"Medium: ED; Size: Article No. 169190","authors":["Albayrak, I. [Hampton Univ., Hampton, VA (United States)]","Aune, S. [Commissariat a l\'Energie Atomique et aux Energies Alternatives (CEA-Saclay), Gif-sur-Yvette (France); Univ. Paris-Saclay, Gif-sur-Yvette (France)]","Gayoso, C. Ayerbe [Old Dominion Univ., Norfolk, VA (United States); College of William and Mary, Williamsburg, VA (United States)]","Baron, P. [Commissariat a l\'Energie Atomique et aux Energies Alternatives (CEA-Saclay), Gif-sur-Yvette (France); Univ. Paris-Saclay, Gif-sur-Yvette (France)]","Bültmann, S. [Old Dominion Univ., Norfolk, VA (United States)]","Charles, G. [Old Dominion Univ., Norfolk, VA (United States); Centre National de la Recherche Scientifique (CNRS) (France); Université Paris-Saclay, Orsay (France)]","Christy, M. E. [Hampton Univ., Hampton, VA (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)]","Dodge, G. [Old Dominion Univ., Norfolk, VA (United States)]","Dzbenski, N. [Old Dominion Univ., Norfolk, VA (United States)]","Dupré, R. [Centre National de la Recherche Scientifique (CNRS) (France); Université Paris-Saclay, Orsay (France)]","Griffioen, K. [College of William and Mary, Williamsburg, VA (United States)]","Hattawy, Mohammad [Old Dominion Univ., Norfolk, VA (United States)] (ORCID:0000000320862807)","Hung, Y. C. [Old Dominion Univ., Norfolk, VA (United States)]","Kalantarians, N. [Virginia Union Univ., Richmond, VA (United States)]","Kuhn, S. [Old Dominion Univ., Norfolk, VA (United States)]","Mandjavidze, I. [Commissariat a l\'Energie Atomique et aux Energies Alternatives (CEA-Saclay), Gif-sur-Yvette (France); Univ. Paris-Saclay, Gif-sur-Yvette (France)]","Nadeeshani, A. [Hampton Univ., Hampton, VA (United States)]","Ouillon, M. [Centre National de la Recherche Scientifique (CNRS) (France); Université Paris-Saclay, Orsay (France)]","Pandey, P. [Old Dominion Univ., Norfolk, VA (United States)]","Payette, D. [Old Dominion Univ., Norfolk, VA (United States)]","Pokhrel, M. [Old Dominion Univ., Norfolk, VA (United States)]","Poudel, J. [Old Dominion Univ., Norfolk, VA (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)]","Tadepalli, A. S. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)]","Vandenbroucke, M. [Commissariat a l\'Energie Atomique et aux Energies Alternatives (CEA-Saclay), Gif-sur-Yvette (France); Univ. Paris-Saclay, Gif-sur-Yvette (France)]"],"subjects":["time projection chamber","gas electron multipliers","spectator-tagging","BONuS12 experiment","nuclear physics","CLAS12 spectrometer"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-06OR23177; AC02-06CH11357","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"}],"research_orgs":["Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"],"journal_issn":"ISSN 0168-9002","other_identifiers":["Journal ID: ISSN 0168-9002; DE-AC02- 06CH11357"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308807"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308807"}]}, {"osti_id":"2301733","title":"Carboxylating Elastomer via Thiol‐Ene Click Reaction to Improve Miscibility with Conjugated Polymers for Mechanically Robust Organic Solar Cells with Efficiency of 19%","doi":"10.1002/adma.202312805","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Materials","description":"<title>Abstract<\/title>\n <p>Incorporating flexible insulating polymers is a straightforward strategy to enhance the mechanical properties of rigid conjugated polymers, enabling their use in flexible electronic devices. However, maintaining electronic characteristics simultaneously is challenging due to the poor miscibility between insulating polymers and conjugated polymers. This study introduces the carboxylation of insulating polymers as an effective strategy to enhance miscibility with conjugated polymers via surface energy modulation and hydrogen bonding. The carboxylated elastomer, synthesized via a thiol‐ene click reaction, closely matches the surface energy of the conjugated polymer. This significantly improves the mechanical properties, achieving a high crack‐onset strain of 21.48%, surpassing that (5.93%) of the unmodified elastomer:conjugated polymer blend. Upon incorporating the carboxylated elastomer into PM6:L8‐BO‐based organic solar cells, an impressive power conversion efficiency of 19.04% is attained, which top‐performs among insulating polymer‐incorporated devices and outperforms devices with unmodified elastomer or neat PM6:L8‐BO. The superior efficiency is attributed to the optimized microstructures and enhanced crystallinity for efficient and balanced charge transport, and suppressed charge recombination. Furthermore, flexible devices with 5% carboxylated elastomer exhibit superior mechanical stability, retaining ≈88.9% of the initial efficiency after 40 000 bending cycles at a 1 mm radius, surpassing ≈83.5% for devices with 5% unmodified elastomer.<\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Materials","format":"Medium: X","authors":["Zhang, Junjie [Beijing Advanced Innovation Center for Soft Matter Science and Engineering &, State Key Laboratory of Organic‐Inorganic Composites Beijing University of Chemical Technology Beijing 100029 P. R. China]","Chen, Qiaomei [Beijing Advanced Innovation Center for Soft Matter Science and Engineering &, State Key Laboratory of Organic‐Inorganic Composites Beijing University of Chemical Technology Beijing 100029 P. R. China]","Li, Mengdi [Institute of Applied Chemistry Jiangxi Academy of Sciences Nanchang 330096 P. R. China]","Zhang, Guangcong [Beijing Advanced Innovation Center for Soft Matter Science and Engineering &, State Key Laboratory of Organic‐Inorganic Composites Beijing University of Chemical Technology Beijing 100029 P. R. China]","Zhang, Zhou [Beijing Advanced Innovation Center for Soft Matter Science and Engineering &, State Key Laboratory of Organic‐Inorganic Composites Beijing University of Chemical Technology Beijing 100029 P. R. China]","Deng, Xiangmeng [Institute of Applied Chemistry Jiangxi Academy of Sciences Nanchang 330096 P. R. China]","Xue, Jingwei [State Key Laboratory for Mechanical Behavior of Materials Xi\'an Jiaotong University Xi\'an 710049 P. R. China]","Zhao, Chaowei [Institute of Applied Chemistry Jiangxi Academy of Sciences Nanchang 330096 P. R. China]","Xiao, Chengyi [Beijing Advanced Innovation Center for Soft Matter Science and Engineering &, State Key Laboratory of Organic‐Inorganic Composites Beijing University of Chemical Technology Beijing 100029 P. R. China]","Ma, Wei [State Key Laboratory for Mechanical Behavior of Materials Xi\'an Jiaotong University Xi\'an 710049 P. R. China]","Li, Weiwei [Beijing Advanced Innovation Center for Soft Matter Science and Engineering &, State Key Laboratory of Organic‐Inorganic Composites Beijing University of Chemical Technology Beijing 100029 P. R. China] (ORCID:0000000273294236)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"DE‐AC02‐05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0935-9648","other_identifiers":["Journal ID: ISSN 0935-9648; 2312805"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301733"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301733"}]}, {"osti_id":"2281930","title":"Thermo-mechanical characterization and stress engineering of Lipon solid electrolyte","doi":"10.1039/D3TA06386K","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 7","description":"A high temperature multibeam-optical-stress sensor (HTMOSS) was used to characterize the coefficient of thermal expansion (CTE) and yield stress of 1-micron thick Lipon films. Fully dense, amorphous films were deposited on glass and sapphire substrates. The films were then annealed at temperatures ranging from 80 to 200 °C for 3 hours. The CTE of Lipon is found to be approximately 4.1 × 10<sup>-6<\/sup>. This value did not vary appreciably with the substrate type, and was similar in tension and compression. With this intermediate CTE value, the films heated on the two different substrates imposed either tension or compression due to the thermal expansion mismatch. We observed further that the yield stress of the film is approximately 60–100 MPa. Using constant-load holds at and beyond the yield point, the stress developed during heating was relaxed via visco-plastic deformation. A permanent residual stress then evolved during cooling, up to 120 MPa in either tension or compression depending on substrate type. This ability to engineer stress into Lipon films also suggests a strategy for creating a protective layer on other solid electrolytes with higher ionic conductivities (e.g., LLZO and sulfides), which is a potentially effective approach for mitigating lithium dendrite penetration. In addition, Lipon lost ductility at an annealing temperature above 140 °C. Thismay be associated with composition changes that were observed in XPS measurements.","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"7","journal_volume":"12","format":"Medium: X; Size: p. 3943-3953","authors":["Cai, Truong [School of Engineering, Brown University, 182 Hope Street, Providence, RI 02912, USA] (ORCID:0009000084474374)","Westover, Andrew [Energy Storage Group, Oak Ridge National Lab, TN 37831-6069, USA]","Kalnaus, Sergiy [Energy Storage Group, Oak Ridge National Lab, TN 37831-6069, USA]","Athanasiou, Christos E. [School of Engineering, Brown University, 182 Hope Street, Providence, RI 02912, USA, Daniel Guggenheim School of Aerospace Engineering, Georgia Institute of Technology, Atlanta, GA 30332, USA]","Dudney, Nancy [Energy Storage Group, Oak Ridge National Lab, TN 37831-6069, USA]","Sheldon, Brian W. [School of Engineering, Brown University, 182 Hope Street, Providence, RI 02912, USA] (ORCID:000000029593891X)"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725; EE0008863; DMR-1832829","subjects":[],"orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO). Batteries for Advanced Transportation Technologies (BATT) Program"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO). Batteries for Advanced Transportation Technologies (BATT) Program","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281930"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281930"}]}, {"osti_id":"2309727","title":"Observation of New Isotopes in the Fragmentation of <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>Pt<\/mml:mi><\/mml:mrow><mml:mprescripts /><mml:none /><mml:mrow><mml:mn>198<\/mml:mn><\/mml:mrow><\/mml:mmultiscripts><\/mml:mrow><\/mml:math> at FRIB","doi":"10.1103/physrevlett.132.072501","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters; Journal Volume: 132; Journal Issue: 7","description":"Five previously unknown isotopes (<sup>182,183<\/sup>Tm, <sup>186,187<\/sup>Yb, <sup>190<\/sup>Lu) were produced, separated, and identified for the first time at the Facility for Rare Isotope Beams (FRIB) using the Advanced Rare Isotope Separator (ARIS). The new isotopes were formed through the interaction of a <sup>198<\/sup>Pt beam with a carbon target at an energy of 186 MeV/u and with a primary beam power of 1.5 kW. Event-by-event particle identification of A, Z, and q for the reaction products was performed by combining measurements of the energy loss, time of flight, magnetic rigidity Bρ, and total kinetic energy. The ARIS separator has a novel two-stage design with high resolving power to strongly suppress contaminant beams. Finally, this successful new isotope search was performed less than one year after FRIB operations began and demonstrates the discovery potential of the facility which will ultimately provide 400 kW of primary beam power.","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review Letters","journal_issue":"7","journal_volume":"132","format":"Medium: ED; Size: Article No. 072501","authors":["Tarasov, Oleg B. [Michigan State Univ., East Lansing, MI (United States)] (ORCID:0000000304971421)","Gade, Alexandra [Michigan State Univ., East Lansing, MI (United States)] (ORCID:0000000188250976)","Fukushima, Kei [Michigan State Univ., East Lansing, MI (United States)] (ORCID:0000000271247591)","Hausmann, M. [Michigan State Univ., East Lansing, MI (United States)]","Kwan, E. [Michigan State Univ., East Lansing, MI (United States)]","Portillo, M. [Michigan State Univ., East Lansing, MI (United States)]","Smith, M. [Michigan State Univ., East Lansing, MI (United States)]","Ahn, D. S. [Institute for Basic Science, Daejeon (Korea, Republic of). Center for Exotic Nuclear Studies]","Bazin, Daniel [Michigan State Univ., East Lansing, MI (United States)] (ORCID:0000000256639693)","Chyzh, R. [Michigan State Univ., East Lansing, MI (United States)]","Giraud, Simon [Michigan State Univ., East Lansing, MI (United States)] (ORCID:0000000165425091)","Haak, Kenneth [Michigan State Univ., East Lansing, MI (United States)] (ORCID:0009000422724250)","Kubo, T. [RIKEN Nishina Center for Accelerator-Based Science, Wako (Japan)]","Morrissey, David J. [Michigan State Univ., East Lansing, MI (United States)] (ORCID:0000000327915924)","Ostroumov, P. N. [Michigan State Univ., East Lansing, MI (United States)]","Richardson, Isaiah [Michigan State Univ., East Lansing, MI (United States)] (ORCID:0009000538436058)","Sherrill, B. M. [Michigan State Univ., East Lansing, MI (United States)]","Stolz, A. [Michigan State Univ., East Lansing, MI (United States)]","Watters, Shane [Michigan State Univ., East Lansing, MI (United States)] (ORCID:000000026243394X)","Weisshaar, Dirk [Michigan State Univ., East Lansing, MI (United States)] (ORCID:0000000291903971)","Zhang, Tong [Michigan State Univ., East Lansing, MI (United States)] (ORCID:0000000164347386)"],"subjects":["07 ISOTOPE AND RADIATION SOURCES"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0023633; PHY-20-12040","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Michigan State Univ., East Lansing, MI (United States)"}],"research_orgs":["Michigan State Univ., East Lansing, MI (United States)"],"journal_issn":"ISSN 0031-9007","other_identifiers":["Journal ID: ISSN 0031-9007"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309727"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309727"}]}, {"osti_id":"2301790","title":"Conceptual range estimation for total cost of ownership of modular\n <scp>process‐intensified<\/scp>\n chemical plants","doi":"10.1002/amp2.10176","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Advanced Manufacturing and Processing","description":"<title>Abstract<\/title>\n <p>Chemical companies have used modularization to reduce capital costs and project timelines, putting capital to work faster and lowering the risk of entering new markets. Nevertheless, the impacts of using modularization along with advanced technologies, such as process intensification, have not yet been fully realized, often due to the uncertain business risks associated with their implementation. Therefore, new methods are needed for quantifying the impact of modular chemical process intensification (MCPI) on the capital and operating costs of chemical plants to help build a business case for this novel approach. This article presents a new conceptual range estimation technique for total cost of ownership that addresses the deficiencies of existing methods for quantifying MCPI impacts. The incorporation of percentage range estimates was employed to allow for adaptability across various cost and size scales. This work also begins to elucidate how chemical engineering and construction firms can benefit from MCPI and identifies barriers that inhibit MCPI applications in the chemical industry.<\/p>","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Journal of Advanced Manufacturing and Processing","format":"Medium: X","authors":["Alhamouri, Khaled I. [Department of Civil, Architectural and Environmental Engineering The University of Texas at Austin Austin Texas USA] (ORCID:0000000329037002)","O\'Connor, James T. [Department of Civil, Architectural and Enviromental Engineering The University of Texas at Austin Austin Texas USA]","Haapala, Karl R. [School of Mechanical, Industrial and Manufacturing Engineering Oregon State University Corvallis Oregon USA] (ORCID:0000000291004001)","Paul, Brian K. [Advanced Manufacturing National Program Office, RAPID Manufacturing Institute® ‐ U.S. Department of Energy (DOE), School of Mechanical, Industrial and Manufacturing Engineering Oregon State University Corvallis Oregon USA]"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"DE‐EE0007888","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2637-403X","other_identifiers":["Journal ID: ISSN 2637-403X; e10176"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301790"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301790"}]}, {"osti_id":"2308791","title":"The Role of Non-Local Effects on Surface Sensible Heat Flux Under Different Types of Thermal Structures Over the Arctic Sea-Ice Surface","doi":"10.1029/2023gl106753","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Geophysical Research Letters; Journal Volume: 51; Journal Issue: 4","description":"The effects of atmospheric thermal structure on the surface energy flux are poorly understood over the Arctic sea-ice surface. Here, we explore the mechanism of sensible heat exchange under different types of thermal structures over the Arctic sea-ice surface by using data collected during the Multidisciplinary drifting Observatory for the Study of Arctic Climate expedition. The quadrant analysis indicates that strong surface temperature inversions below 100 m enhance non-local effects on the positive (upward) sensible heat flux ($\\overline{w\'θ\'}$) through entrainment of large eddies from the convective boundary layer aloft. However, strong surface inversions restrict the contributions of large eddies to the negative (downward) $\\overline{w\'θ\'}$ due to intensified surface stability. By inspecting the existing parameterization schemes, we found that the European Center for Medium-Range Weather Forecasts Integrated Forecasting System scheme fails to predict the impacts of non-local processes on the positive $\\overline{w\'θ\'}$, and an adjustment term to correct the bias of parameterized $\\overline{w\'θ\'}$ is proposed.","availability":"ORNL","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Geophysical Research Letters","journal_issue":"4","journal_volume":"51","format":"Medium: ED; Size: Article No. e2023GL106753","authors":["Liu, Changwei [Sun Yat-Sen Univ., Guangzhou (China); Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) (China)] (ORCID:0009000631094769)","Yang, Qinghua [Sun Yat-Sen Univ., Guangzhou (China); Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) (China)] (ORCID:0000000271142036)","Gao, Zhongming [Sun Yat-Sen Univ., Guangzhou (China); Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) (China)] (ORCID:000000024390753X)","Shupe, Matthew D. [Univ. of Colorado, Boulder, CO (United States); National Oceanic and Atmospheric Administration (NOAA), Boulder, CO (United States)] (ORCID:0000000209739982)","Han, Bo [Sun Yat-Sen Univ., Guangzhou (China); Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) (China)] (ORCID:0000000261377907)","Zhang, Huixian [Sun Yat-Sen Univ., Guangzhou (China); Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) (China)]","Peng, Shijie [Sun Yat-Sen Univ., Guangzhou (China); Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) (China)]","Xi, Xingya [Sun Yat-Sen Univ., Guangzhou (China); Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) (China)] (ORCID:0000000179243977)","Chen, Dake [Sun Yat-Sen Univ., Guangzhou (China); Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) (China)] (ORCID:0000000281937158)"],"subjects":["54 ENVIRONMENTAL SCIENCES","sensible heat flux","non-local effects","thermal structures","Arctic sea-ice surface","MOSAiC","parameterization"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0023036; OPP-1724551","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"},{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)","Brookhaven National Laboratory (BNL), Upton, NY (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 0094-8276","other_identifiers":["Journal ID: ISSN 0094-8276"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308791"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2308791"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308791"}]}, {"osti_id":"2301757","title":"Influence of Eastern Pacific Hurricanes on the Southwest US Wildfire Environment","doi":"10.1029/2023GL106774","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Geophysical Research Letters Journal Volume: 51 Journal Issue: 4","description":"<title>Abstract<\/title>\n <p>While some previous studies examined the contribution of Eastern Pacific (EP) hurricanes toward precipitation in the arid Southwest US (SWUS), their potential to influence wildfires in that region has not been explored. Here we show, using observations and simulations from the Energy Exascale Earth System Model (E3SM), that recurving EP hurricanes modulate the wildfire environment in the SWUS by increasing precipitation and soil moisture, and reducing the vapor pressure deficit. This is especially the case during late season months of September–October when the likelihood of storms to recurve and make landfall increases. Further, analysis of burnt area observations reveals that for the months of September–October, recurving EP hurricanes may significantly reduce the prevalence of wildfires in the SWUS. Finally, E3SM simulations indicate that late season EP hurricanes have been on the decline, with important implications for wildfires in the SWUS.<\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Geophysical Research Letters","journal_issue":"4","journal_volume":"51","format":"Medium: X","authors":["Balaguru, Karthik [Pacific Northwest National Laboratory Richland WA USA] (ORCID:0000000301812687)","Wang, Sally S. ‐C. [Pacific Northwest National Laboratory Richland WA USA] (ORCID:0000000280050168)","Leung, L. Ruby [Pacific Northwest National Laboratory Richland WA USA] (ORCID:0000000232219467)","Hagos, Samson [Pacific Northwest National Laboratory Richland WA USA] (ORCID:0000000175919933)","Harrop, Bryce [Pacific Northwest National Laboratory Richland WA USA] (ORCID:0000000339524525)","Chang, Chuan‐Chieh [Pacific Northwest National Laboratory Richland WA USA]","Lubis, Sandro W. [Pacific Northwest National Laboratory Richland WA USA] (ORCID:0000000166159880)","Garuba, Oluwayemi A. [Pacific Northwest National Laboratory Richland WA USA] (ORCID:0000000179317788)","Taraphdar, Sourav [Pacific Northwest National Laboratory Richland WA USA] (ORCID:0000000307062629)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0094-8276","other_identifiers":["Journal ID: ISSN 0094-8276; e2023GL106774"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301757"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301757"}]}, {"osti_id":"2305417","title":"Communication—Controlling Etching of Germanium through Surface Charge Manipulation","report_number":"LLNL-JRNL-858866","doi":"10.1149/1945-7111/ad2647","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society Journal Volume: 171 Journal Issue: 2","description":"<p>\n Potassium hydroxide (KOH) aqueous solutions can effectively etch germanium. Etch rates were determined in an electrolytic etch cell. Electrically isolated Ge wafers were subject to an etch rate of 1.45 ± 0.07 nm min\n <sup>−1<\/sup>\n , increasing to 12.6 ± 0.2 nm min\n <sup>−1<\/sup>\n when grounded, 97 ± 2 nm min\n <sup>−1<\/sup>\n when biased at −0.9 V, and 138 ± 2 nm min\n <sup>−1<\/sup>\n with periodic biasing. Results suggest that the previously reported limited etching in KOH is associated with the recombination of holes with electrons injected from the surface reaction. The results of this study demonstrate that changing the hole concentration through biasing is an effective tool to control electrolytic etch rates, enabling future selective etching processes for germanium.\n <\/p>\n <p>\n <inline-formula>\n <inline-graphic href=\'jesad2647-ga.jpg\' type=\'simple\'/>\n <\/inline-formula>\n <\/p>","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"Journal of the Electrochemical Society","journal_issue":"2","journal_volume":"171","format":"Medium: X; Size: Article No. 023505","authors":["Wood, Joseph G.","Mitsyuk, Surge","Brayfield, Cassondra","Carpenter, Arthur","Hunt, Charles E.","van Benthem, Klaus (ORCID:000000018865046X)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Lasers"],"article_type":"Published Article","doe_contract_number":"AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305417"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305417"}]}, {"osti_id":"2282677","title":"Volatile lanthanide complexes with fluorinated heptadentate ligands","doi":"10.1039/D3DT04198K","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Dalton Transactions Journal Volume: 53 Journal Issue: 7","description":"<p>\n Here we describe the synthesis, structures, and volatility of lanthanide complexes containing N\n <sub>4<\/sub>\n O\n <sub>3<\/sub>\n ligands decorated with different fluoroalkyl substituents. The results show how ligand fluorination does not necessarily enhance complex volatility.\n <\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Dalton Transactions","journal_issue":"7","journal_volume":"53","format":"Medium: X; Size: p. 2998-3009","authors":["Zgrabik, Joshua C. [Department of Chemistry, The University of Iowa, E331 Chemistry Building, Iowa City, Iowa 52242, USA]","Bhuniya, Balaka [Department of Chemistry, The University of Iowa, E331 Chemistry Building, Iowa City, Iowa 52242, USA]","Branstad Phillips, Thomas [Department of Chemistry, The University of Iowa, E331 Chemistry Building, Iowa City, Iowa 52242, USA]","Barroso, Jorge [Department of Chemistry, The University of South Dakota, 414 E Clark St, Vermillion, SD, 57069, USA] (ORCID:0000000297158693)","Vlaisavljevich, Bess [Department of Chemistry, The University of South Dakota, 414 E Clark St, Vermillion, SD, 57069, USA] (ORCID:0000000160650732)","Daly, Scott R. [Department of Chemistry, The University of Iowa, E331 Chemistry Building, Iowa City, Iowa 52242, USA] (ORCID:0000000162290822)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1477-9226","other_identifiers":["Journal ID: ISSN 1477-9226; ICHBD9"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282677"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282677"}]}, {"osti_id":"2301756","title":"Coordination-induced O-H/N-H bond weakening by a redox non-innocent, aluminum-containing radical","doi":"10.1038/s41467-024-45721-1","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Several renewable energy schemes aim to use the chemical bonds in abundant molecules like water and ammonia as energy reservoirs. Because the O-H and N-H bonds are quite strong (>100 kcal/mol), it is necessary to identify substances that dramatically weaken these bonds to facilitate proton-coupled electron transfer processes required for energy conversion. Usually this is accomplished through coordination-induced bond weakening by redox-active metals. However, coordination-induced bond weakening is difficult with earth’s most abundant metal, aluminum, because of its redox inertness under mild conditions. Here, we report a system that uses aluminum with a redox non-innocent ligand to achieve significant levels of coordination-induced bond weakening of O-H and N-H bonds. The multisite proton-coupled electron transfer manifold described here points to redox non-innocent ligands as a design element to open coordination-induced bond weakening chemistry to more elements in the periodic table.<\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Sinhababu, Soumen (ORCID:0000000321497450)","Singh, Roushan Prakash (ORCID:0000000162793040)","Radzhabov, Maxim R.","Kumawat, Jugal (ORCID:0000000271908572)","Ess, Daniel H.","Mankad, Neal P. (ORCID:0000000169235164)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1315; PII: 45721"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301756"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301756"}]}, {"osti_id":"2301743","title":"Advances in light system engineering across the phototrophic spectrum","doi":"10.3389/fpls.2024.1332456","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Plant Science Journal Volume: 15","description":"<p>Current work in photosynthetic engineering is progressing along the lines of cyanobacterial, microalgal, and plant research. These are interconnected through the fundamental mechanisms of photosynthesis and advances in one field can often be leveraged to improve another. It is worthwhile for researchers specializing in one or more of these systems to be aware of the work being done across the entire research space as parallel advances of techniques and experimental approaches can often be applied across the field of photosynthesis research. This review focuses on research published in recent years related to the light reactions of photosynthesis in cyanobacteria, eukaryotic algae, and plants. Highlighted are attempts to improve photosynthetic efficiency, and subsequent biomass production. Also discussed are studies on cross-field heterologous expression, and related work on augmented and novel light capture systems. This is reviewed in the context of translatability in research across diverse photosynthetic organisms.<\/p>","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Plant Science","journal_volume":"15","format":"Medium: X","authors":["Dennis, Galen","Posewitz, Matthew C."],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1664-462X","other_identifiers":["Journal ID: ISSN 1664-462X; 1332456"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301743"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301743"}]}, {"osti_id":"2305501","title":"Using spatio-temporal graph neural networks to estimate fleet-wide photovoltaic performance degradation patterns","report_number":"DOE-CWRU-SETO-9353-230215-rxw497-1","doi":"10.1371/journal.pone.0297445","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: PLoS ONE; Journal Volume: 19; Journal Issue: 2","description":"Accurate estimation of photovoltaic (PV) system performance is crucial for determining its feasibility as a power generation technology and financial asset. PV-based energy solutions offer a viable alternative to traditional energy resources due to their superior Levelized Cost of Energy (LCOE). A significant challenge in assessing the LCOE of PV systems lies in understanding the Performance Loss Rate (PLR) for large fleets of PV systems. Estimating the PLR of PV systems becomes increasingly important in the rapidly growing PV industry. Precise PLR estimation benefits PV users by providing real-time monitoring of PV module performance, while explainable PLR estimation assists PV manufacturers in studying and enhancing the performance of their products. However, traditional PLR estimation methods based on statistical models have notable drawbacks. Firstly, they require user knowledge and decision-making. Secondly, they fail to leverage spatial coherence for fleet-level analysis. Additionally, these methods inherently assume the linearity of degradation, which is not representative of real world degradation. To overcome these challenges, we propose a novel graph deep learning-based decomposition method called the Spatio-Temporal Graph Neural Network for fleet-level PLR estimation (PV-stGNN-PLR). PV-stGNN-PLR decomposes the power timeseries data into aging and fluctuation components, utilizing the aging component to estimate PLR. PV-stGNN-PLR exploits spatial and temporal coherence to derive PLR estimation for all systems in a fleet and imposes flatness and smoothness regularization in loss function to ensure the successful disentanglement between aging and fluctuation. We have evaluated PV-stGNN-PLR on three simulated PV datasets consisting of 100 inverters from 5 sites. Experimental results show that PV-stGNN-PLR obtains a reduction of 33.9% and 35.1% on average in Mean Absolute Percent Error (MAPE) and Euclidean Distance (ED) in PLR degradation pattern estimation compared to the state-of-the-art PLR estimation methods.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Public Library of Science","journal_name":"PLoS ONE","journal_issue":"2","journal_volume":"19","format":"Medium: ED; Size: Article No. e0297445","authors":["Fan, Yangxin [Case Western Reserve University, Cleveland, OH (United States)] (ORCID:0000000317289560)","Wieser, Raymond [Case Western Reserve University, Cleveland, OH (United States)] (ORCID:0000000315316430)","Yu, Xuanji [Case Western Reserve University, Cleveland, OH (United States)]","Wu, Yinghui [Case Western Reserve University, Cleveland, OH (United States)]","Bruckman, Laura S. [Case Western Reserve University, Cleveland, OH (United States)]","French, Roger H. [Case Western Reserve University, Cleveland, OH (United States)]"],"subjects":["14 SOLAR ENERGY","Alternative energy","Meteorology","Neural networks","Forecasting","Cognitive science","Finance","Photovoltaic power","Simulation and modeling"],"article_type":"Accepted Manuscript","doe_contract_number":"EE0009353","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"],"orgs_research":[{"name":"Case Western Reserve Univ., Cleveland, OH (United States)"}],"research_orgs":["Case Western Reserve Univ., Cleveland, OH (United States)"],"journal_issn":"ISSN 1932-6203","other_identifiers":["Journal ID: ISSN 1932-6203"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305501"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2305501"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305501"}]}, {"osti_id":"2316037","title":"Final Report: Deflection of Plasma by High Magnetic Fields at Variable Pressures","report_number":"DOE-UAH-0021280","product_type":"Technical Report","language":"English","country_publication":"United States","relation":"Related Information: \"Investigation of high field plasma dynamics in a laser produced plasma expanding into a background gas.\"\r\nZ. White,1, a) K.G. Xu,1 and S. Chakraborty Thakur2","description":"The goal of the proposed work is to study the deflection of plasma by high magnetic fields\r\nusing the high uniform magnetic field of the Magnetized Dusty Plasma Experiment (MDPX)\r\nlocated at the Magnetized Plasma Research Laboratory (MPRL) at Auburn University.","publication_date":"2024-02-29T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","format":"Medium: ED","coverage":"Final","authors":["Xu, Kunning Gabriel [The University of Alabama in Huntsville]","White, Zachary [The University of Alabama in Huntsville]"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","Plasma, Magnetic Fields"],"contributing_org":"Auburn University","doe_contract_number":"SC0021280","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"The University of Alabama in Huntsville"}],"research_orgs":["The University of Alabama in Huntsville"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316037"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2316037"}]}, {"osti_id":"2318483","title":"Influence of Eastern Pacific Hurricanes on the Southwest US Wildfire Environment","doi":"10.1029/2023gl106774","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Geophysical Research Letters; Journal Volume: AC; Journal Issue: 4","description":"While some previous studies examined the contribution of Eastern Pacific (EP) hurricanes toward precipitation in the arid Southwest US (SWUS), their potential to influence wildfires in that region has not been explored. Here we show, using observations and simulations from the Energy Exascale Earth System Model (E3SM), that recurving EP hurricanes modulate the wildfire environment in the SWUS by increasing precipitation and soil moisture, and reducing the vapor pressure deficit. This is especially the case during late season months of September–October when the likelihood of storms to recurve and make landfall increases. Further, analysis of burnt area observations reveals that for the months of September–October, recurving EP hurricanes may significantly reduce the prevalence of wildfires in the SWUS. Finally, E3SM simulations indicate that late season EP hurricanes have been on the decline, with important implications for wildfires in the SWUS.","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Geophysical Research Letters","journal_issue":"4","journal_volume":"AC","format":"Medium: X","authors":["Balaguru, Karthik","Wang, Sally S.‐C.","Leung, L. Ruby","Hagos, Samson","Harrop, Bryce","Chang, Chuan‐Chieh","Lubis, Sandro W.","Garuba, Oluwayemi A.","Taraphdar, Sourav"],"article_type":"","doe_contract_number":"AC05-76RL1830","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER). Earth And Environmental Systems Science (EESS)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER). Earth And Environmental Systems Science (EESS)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318483"}]}, {"osti_id":"2301705","title":"Including Neutrino-driven Convection in the Force Explosion Condition to Predict Explodability of Multidimensional Core-collapse Supernovae (FEC+)","doi":"10.3847/1538-4357/ad1d5e","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 962 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Most massive stars end their lives with core collapse. However, it is not clear which explode as a core-collapse supernova (CCSN), leaving behind a neutron star, and which collapse to a black hole, aborting the explosion. One path to predict explodability without expensive multidimensional simulations is to develop analytic explosion conditions. These analytic conditions also provide a deeper understanding of the explosion mechanism and they provide some insight into why some simulations explode and some do not. The analytic force explosion condition (FEC) reproduces the explosion conditions of spherically symmetric CCSN simulations. In this follow-up manuscript, we include the dominant multidimensional effect that aids explosion—neutrino-driven convection—in the FEC. This generalized critical condition (FEC+) is suitable for multidimensional simulations and has potential to accurately predict explosion conditions of two- and three-dimensional CCSN simulations. We show that adding neutrino-driven convection reduces the critical condition by ∼30%, which is consistent with previous multidimensional simulations.<\/p>","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"2","journal_volume":"962","format":"Medium: X; Size: Article No. 110","authors":["Gogilashvili, Mariam (ORCID:0000000269448052)","Murphy, Jeremiah W. (ORCID:0000000315995656)","Miller, Jonah M. (ORCID:0000000164327860)"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301705"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301705"}]}, {"osti_id":"2301747","title":"Nonlinear refraction and absorption properties of optical materials for high-peak-power long-wave-infrared lasers","report_number":"BNL-225342-2024-JAAM","doi":"10.1364/OME.513971","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optical Materials Express Journal Volume: 14 Journal Issue: 3","description":"<p>\n Optical materials transparent in the CO\n <sub>2<\/sub>\n laser wavelength range have been evaluated regarding their suitability for components in ultrashort-pulse (≤ a few ps), high-peak-power (≥ a few TW) long-wave infrared (LWIR) lasers. We provide values for the nonlinear refractive index (\n <italic>n<\/italic>\n <sub>2<\/sub>\n ) for seventeen materials, and onsets for nonlinear absorption for eleven materials. Characterizations were performed using a 2 ps laser pulse at\n <italic>λ<\/italic>\n =9.2\n <italic>μ<\/italic>\n m. This paper methodically presents the newly acquired data in conjunction with existing literature on linear optical properties, establishing it as a comprehensive reference for designing high-peak-power LWIR laser systems.\n <\/p>","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Optical Society of America","journal_name":"Optical Materials Express","journal_issue":"3","journal_volume":"14","format":"Medium: X; Size: Article No. 696","authors":["Polyanskiy, Mikhail N. (ORCID:0000000260430008)","Pogorelsky, Igor V.","Babzien, Marcus","Vodopyanov, Konstantin L. (ORCID:0000000218149204)","Palmer, Mark A. (ORCID:0000000244855532)"],"subjects":["43 PARTICLE ACCELERATORS"],"article_type":"Published Article","doe_contract_number":"SC0012704","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"},{"name":"USDOE Office of Science (SC), Accelerator R&D and Production (ARDAP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)","USDOE Office of Science (SC), Accelerator R&D and Production (ARDAP)"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)"],"journal_issn":"ISSN 2159-3930","other_identifiers":["Journal ID: ISSN 2159-3930"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301747"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301747"}]}, {"osti_id":"2317765","title":"Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase","doi":"10.1016/j.xcrp.2024.101827","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Cell Reports Physical Science; Journal Volume: 5; Journal Issue: 2","description":"Pyridoxal 5′-phosphate (PLP), the biologically active form of vitamin B6, is an essential cofactor in many biosynthetic pathways. The emergence of PLP-dependent enzymes as drug targets and biocatalysts, such as tryptophan synthase (TS), has underlined the demand to understand PLP-dependent catalysis and reaction specificity. The ability of neutron diffraction to resolve the positions of hydrogen atoms makes it an ideal technique to understand how the electrostatic environment and selective protonation of PLP regulates PLP-dependent activities. Facilitated by microgravity crystallization of TS with the Toledo Crystallization Box, we report the 2.1 Å joint X-ray/neutron (XN) structure of TS with PLP in the internal aldimine form. Positions of hydrogens were directly determined in both the α- and β-active sites, including PLP cofactor. The joint XN structure thus provides insight into the selective protonation of the internal aldimine and the electrostatic environment of TS necessary to understand the overall catalytic mechanism.","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Elsevier","journal_name":"Cell Reports Physical Science","journal_issue":"2","journal_volume":"5","format":"Medium: ED; Size: Article No. 101827","authors":["Drago, Victoria N. [Univ. of Toledo, OH (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Devos, Juliette M. [Inst. Laue-Langevin (ILL), Grenoble (France); European Molecular Biology Lab. (EMBL), Grenoble (France); European Synchrotron Radiation Facility (ESRF), Grenoble (France)]","Blakeley, Matthew P. [Inst. Laue-Langevin (ILL), Grenoble (France)]","Forsyth, V. Trevor [Lund Univ. (Sweden)]","Parks, Jerry M. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000231039333)","Kovalevsky, Andrey [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000344599142)","Mueser, Timothy C. [Univ. of Toledo, OH (United States)] (ORCID:0000000150422488)"],"subjects":["neutron diffraction","neutron crystallography","macromolecular crystallography","pyridoxal 5’-phosphate","microgravity crystallization","fold-type II","enzyme mechanism"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2666-3864","other_identifiers":["Journal ID: ISSN 2666-3864"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317765"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2317765"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317765"}]}, {"osti_id":"2301818","title":"Potential–Dependent BDAC Adsorption on Zinc Enabling Selective Suppression of Zinc Corrosion for Energy Storage Applications","doi":"10.1149/1945-7111/ad2598","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society Journal Volume: 171 Journal Issue: 2","description":"<p>Utility-scale zinc (Zn) batteries are a promising solution to address the problem of intermittency of renewable energy sources; however, Zn-metal anodes in these batteries suffer from capacity loss due to spontaneous corrosion of the Zn especially when high-surface area anode configurations are employed. Additionally, Zn dendrites are known to form during battery charging limiting the cycle-life of these batteries. Electrolyte additives have been explored that prevent aforementioned issues, but these too come at a cost, i.e., surface-blocking additives polarize the electrode surface leading to loss in the voltaic and energy efficiencies of the battery. In this contribution, a novel electrolyte additive, benzyldimethylhexadecylammonium chloride (BDAC), is investigated for its ability to suppresses corrosion of Zn in an acidic (pH = 3) electrolyte. An attribute of BDAC distinct from previously studied additives is that it selectively suppresses electrochemical activity when the Zn electrode is at its corrosion potential; however, during high-rate Zn deposition (charging) or stripping (discharging), BDAC is essentially deactivated and thus it does not appreciably polarize the electrode surface, thus minimizing voltaic efficiency losses. This selective corrosion suppression behavior is explored using slow-scan voltammetry, which reveals hysteresis implying a potential- or current-dependent BDAC adsorption mechanism in which BDAC reaches higher surface coverages when the partial currents at the Zn surface are low (e.g., at or near the corrosion potential), but BDAC coverage is reduced considerably when the Zn deposition or stripping rates are increased. Numerical simulations of the BDAC diffusion-adsorption process corroborate this mechanism. Ramifications of our approach to the selective suppression of Zn dendrites are discussed.<\/p>","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"Journal of the Electrochemical Society","journal_issue":"2","journal_volume":"171","format":"Medium: X; Size: Article No. 023503","authors":["Phung, Theodore","Sinclair, Nicholas (ORCID:000000028268966X)","Akolkar, Rohan (ORCID:0000000298655704)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301818"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301818"}]}, {"osti_id":"2299535","title":"Oxygen Vacancies Alter Methanol Oxidation Pathways on NiOOH","doi":"10.1021/jacs.3c13222","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society","description":"A thorough comprehension of the mechanism underlying the methanol oxidation reaction (MOR) on Ni-based catalysts is critical for future electrocatalytic design and development. However, the mechanism of MOR on these materials remains a matter of controversy. Herein, we combine in situ surface-enhanced infrared absorption spectroscopy (SEIRAS) and density functional theory (DFT) calculations to identify the active sites and determine the mechanism of MOR on monometallic Ni-based catalysts in alkaline media. The SEIRAS results show that formate and (bi)carbonate are formed after the commencement of the MOR with potential-dependent relative distributions. These spectroscopic results are in good agreement with the DFT-computed reaction profiles over an oxygen vacancy, suggesting that the MOR mainly proceeds through the formate-involving pathway, in which the early consumption of methanol yields formate as the major product, while increasing potential drives further oxidation of formate to (bi)carbonate. We also find a parallel pathway for the generation of (bi)carbonate at high potentials that bypasses the formation of formate. The two main pathways are thermodynamically more feasible than the one predominantly reported in the literature for MOR on NiOOH that involves CHO and/or CO as key intermediates. These DFT results are supported by spectroscopic evidence showing that no band associated with CHO or CO can be detected by SEIRAS, which is attributed to the nature of the oxygen vacancies as the active sites, suppressing deep dehydrogenation of CH<sub>2<\/sub>O to CHO. Furthermore, this work thus shows the promising role of defect engineering in promoting the electrocatalytic MOR activity and selectivity.","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"Journal of the American Chemical Society","format":"Medium: ED","authors":["Phan, Vi Thi [University of Saskatchewan, Saskatoon, SK (Canada)]","Nguyen, Quy P. [University of Oklahoma, Norman, OK (United States)] (ORCID:0009000604003868)","Wang, Bin [University of Oklahoma, Norman, OK (United States)] (ORCID:0000000182461422)","Burgess, Ian J. [University of Saskatchewan, Saskatoon, SK (Canada)] (ORCID:0000000196111431)"],"subjects":["Alcohols","Catalysts","Defects in solids","Oxidation","Thin films"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0018284","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Univ. of Oklahoma, Norman, OK (United States)"}],"research_orgs":["Univ. of Oklahoma, Norman, OK (United States)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2299535"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2299535"}]}, {"osti_id":"2298947","title":"Landscape of nuclear deformation softness with spherical quasiparticle random-phase approximation","doi":"10.1103/physrevc.109.024313","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. C; Journal Volume: 109; Journal Issue: 2","description":"We investigate the stability and softness of nuclei against quadrupole, octupole, and hexadecapole deformation. By applying the spherical Skyrme-force Hartree-Fock Bardeen-Cooper-Schrieffer quasiparticle random phase approximation, we diagnose ground-state deformation when imaginary solutions are obtained, i.e., the spherical ground state collapses. We also calculate the multipole polarizability in spherical nuclei with no collapse, as a measure of softness. This numerically light and theoretically sound method is found able to capture deformation patterns across the nuclide chart. As a result, the connection between the intrinsic shape of nuclei and the dynamics of their low-lying collective states is established and the role of shell structure is discussed.","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. C","journal_issue":"2","journal_volume":"109","format":"Medium: ED; Size: Article No. 024313","authors":["Le Anh, Nguyen [Ho Chi Minh City University of Education (Vietnam); University of Science, Ho Chi Minh City (Vietnam); Vietnam National University, Ho Chi Minh City (Vietnam)] (ORCID:0000000211989921)","Loc, Bui Minh [Institute for Basic Science (IBS), Daejeon (Korea); San Diego State University, CA (United States)] (ORCID:0000000226091751)","Papakonstantinou, Panagiota [Institute for Basic Science, Daejeon (Korea)] (ORCID:0000000271196667)","Auerbach, Naftali [Tel Aviv University (Israel)] (ORCID:0000000296211982)"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS","Collective levels","Collective models","Electromagnetic transitions","Energy levels","Nuclear density functional theory","Nuclear shapes and moments."],"article_type":"Accepted Manuscript","doe_contract_number":"NA0004075","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"San Diego State Univ., CA (United States)"}],"research_orgs":["San Diego State Univ., CA (United States)"],"journal_issn":"ISSN 2469-9985","other_identifiers":["Journal ID: ISSN 2469-9985"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2298947"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2298947"}]}, {"osti_id":"2310374","title":"Modeling Novel Aqueous Particle and Cloud Chemistry Processes of Biomass Burning Phenols and Their Potential to Form Secondary Organic Aerosols","report_number":"PNNL-SA-190278","doi":"10.1021/acs.est.3c07762","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Environmental Science and Technology; Journal Volume: 58; Journal Issue: 8","description":"Phenols emitted from biomass burning contribute significantly to secondary organic aerosol (SOA) formation through the partitioning of semivolatile products formed from gas-phase chemistry and multiphase chemistry in aerosol liquid water and clouds. The aqueous-phase SOA (aqSOA) formed via hydroxyl radical (˙OH), singlet molecular oxygen (<sup>1<\/sup>O<sub>2<\/sub>*), and triplet excited states of organic compounds (<sup>3<\/sup>C*), which oxidize dissolved phenols in the aqueous phase, might play a significant role in the evolution of organic aerosol (OA). However, a quantitative and predictive understanding of aqSOA has been challenging. Here, we develop a stand-alone box model to investigate the formation of SOA from gas-phase ˙OH chemistry and aqSOA formed by the dissolution of phenols followed by their aqueous-phase reactions with ˙OH, <sup>1<\/sup>O<sub>2<\/sub>*, and <sup>3<\/sup>C* in cloud droplets and aerosol liquid water. Here, we investigate four phenolic compounds, i.e., phenol, guaiacol, syringol, and guaiacyl acetone (GA), which represent some of the key potential sources of aqSOA from biomass burning in clouds. For the same initial precursor organic gas that dissolves in aerosol/cloud liquid water and subsequently reacts with aqueous phase oxidants, we predict that the aqSOA formation potential (defined as aqSOA formed per unit dissolved organic gas concentration) of these phenols is higher than that of isoprene-epoxydiol (IEPOX), a well-known aqSOA precursor. Cloud droplets can dissolve a broader range of soluble phenols compared to aqueous aerosols, since the liquid water contents of aerosols are orders of magnitude smaller than cloud droplets. Further, our simulations suggest that highly soluble and reactive multifunctional phenols like GA would predominantly undergo cloud chemistry within cloud layers, while gas-phase chemistry is likely to be more important for less soluble phenols. But in the absence of clouds, the condensation of low-volatility products from gas-phase oxidation followed by their reversible partitioning to organic aerosols dominates SOA formation, while the SOA formed through aqueous aerosol chemistry increases with relative humidity (RH), approaching 40% of the sum of gas and aqueous aerosol chemistry at 95% RH for GA. Our model developments of biomass-burning phenols and their aqueous chemistry can be readily implemented in regional and global atmospheric chemistry models to investigate the aqueous aerosol and cloud chemistry of biomass-burning organic gases in the atmosphere.","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"Environmental Science and Technology","journal_issue":"8","journal_volume":"58","format":"Medium: ED; Size: p. 3776-3786","authors":["Zhang, Jie [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Shrivastava, Manish [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000290532400)","Ma, Lan [Univ. of California, Davis, CA (United States)] (ORCID:0000000277453927)","Jiang, Wenqing [Univ. of California, Davis, CA (United States)] (ORCID:0000000268693232)","Anastasio, Cort [Univ. of California, Davis, CA (United States)] (ORCID:0000000253730459)","Zhang, Qi [Univ. of California, Davis, CA (United States)] (ORCID:0000000252038778)","Zelenyuk, Alla [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]"],"subjects":["09 BIOMASS FUELS","54 ENVIRONMENTAL SCIENCES","Aerosols","Aromatic compounds","Hydrocarbons","Liquids","Water"],"article_type":"Accepted Manuscript","contributing_org":"Brookhaven National Laboratory (BNL); Argonne National Laboratory (ANL)","doe_contract_number":"AC05-76RL01830; 2220307","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Science Foundation (NSF)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Science Foundation (NSF)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"],"journal_issn":"ISSN 0013-936X","other_identifiers":["Journal ID: ISSN 0013-936X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310374"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310374"}]}, {"osti_id":"2316049","title":"Autonomous control for Heat-Pipe microreactor using Data-Driven model predictive control","report_number":"INL/JOU-23-74891-Rev000","doi":"10.1016/j.anucene.2024.110399","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Annals of Nuclear Energy; Journal Volume: 200","description":"To enable a self-regulating capability for heat pipe (HP) microreactors, an anticipatory control strategy achieved via model predictive control (MPC) could proactively respond to potential disturbances and deviations in operating setpoints. This paper demonstrates data-driven methods for predicting the distribution and transient of temperatures and heat fluxes at selected components and regions in a 37-HP system, based on which the optimal control actions in response to changes in user-defined setpoints can be found. We present the development and validation of linear state-space model, feedfoward, and recurrent neural networks. Here, we compare the performance of MPCs with different modeling approaches in terms of following setpoints for temperatures and averaged output heat fluxes. The accuracies of the three data-driven models are similar, but the control actions initiated by neural-network-based MPC can better adapt to drastic changes in setpoints yet generate the smallest errors.","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Elsevier","journal_name":"Annals of Nuclear Energy","journal_volume":"200","format":"Medium: ED; Size: Article No. 110399","authors":["Lin, Linyu [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:0000000269212795)","Oncken, Joseph [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:0000000195085219)","Agarwal, Vivek [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:0000000313340509)"],"subjects":["22 GENERAL STUDIES OF NUCLEAR REACTORS","data-driven model predictive control","machine learning"],"article_type":"Accepted Manuscript","doe_contract_number":"AC07-05ID14517","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Idaho National Laboratory (INL), Idaho Falls, ID (United States)"}],"research_orgs":["Idaho National Laboratory (INL), Idaho Falls, ID (United States)"],"journal_issn":"ISSN 0306-4549","other_identifiers":["Journal ID: ISSN 0306-4549"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316049"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316049"}]}, {"osti_id":"2246651","title":"Surface Charge at an Oil/Water Interface Promoting the Enhancement and Assignment of Water Combination Bands","report_number":"TechFinal Richmond 2023","doi":"10.2172/2246651","product_type":"Technical Report","language":"English","country_publication":"United States","description":"Given the different polarities and distinct chemical structures, it is no wonder that oil and water are incompatible neighbors. They can be forced to cooperate if provided sufficient energy or a suitable intermediary. Emulsions are the result of such a cooperation, where an emulsifying agent (the intermediary) in the form of a surfactant or a cocktail of surface stabilizing compounds allows for the ‘mixing’ of oil and water. Surfactant stabilized emulsions that are nanoscale in size (nanoemulsions) have caught the attention of many because of their newly discovered use in the synthesis of nanomaterials, oil recovery, drug delivery, and food science. Unlike smaller emulsions (e.g. microemulsions with 2-20 nm diameters), very little is known about the molecular level properties of nanoemulsions (NEs) whose diameters are in the 100-500 nm range. One thing that is well known is the macroscopic properties of droplets from these two size regimes are dramatically different, often for reasons not yet fully understood. Nanoemulsions do not form spontaneously and require an external shear beyond ordinary procedures used to create micelles. This shear is required to overcome the effects of surface tension and create droplets in the nanoscale regime. Once formed, however, they can be stable for long periods of time, making them very attractive for commercial and pharmaceutical products requiring a long shelf life. What is not well known is the interfacial molecular processes that lead to the formation and stability of nanoemulsions including those stabilized by surfactants and/or polymers. Such knowledge is important in understanding the molecular structure-function relationship that assists in predicting what additives and solvents are necessary for a specific application. Key to advancing nanoemulsion utility is to develop the needed molecular-level understanding of the structure and bonding interactions present at the surface of these soft nanoparticles.","publication_date":"2024-02-21T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","format":"Medium: ED; Size: 8 p.","coverage":"Final","authors":["Altman, Rebecca [University of Oregon, Eugene, OR (United States)]","Richmond, Geraldine L. [University of Oregon, Eugene, OR (United States)]","Tran, Emma [University of Oregon, Eugene, OR (United States)]","Carpenter, Andrew P. [University of Oregon, Eugene, OR (United States)]","Foster, Marc J. [University of Oregon, Eugene, OR (United States)]","Jones, Konnor J. [University of Oregon, Eugene, OR (United States)]","Cano, Gabrielle [University of Oregon, Eugene, OR (United States)]","Moore, Frederick [Whitman College, Walla Walla, WA (United States)]","Scatena, Lawrence F. [University of Oregon, Eugene, OR (United States)]"],"subjects":["36 MATERIALS SCIENCE","Experimental and theoretical investigations in condensed phase media","Model condensed-phase systems","Interfaces","Molecular-scale chemistry","Complex systems","Surface vibrational spectroscopy","Vibrational sum-frequency spectroscopy","AOT","Oil/water"],"doe_contract_number":"SC0014278","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Univ. of Oregon, Eugene, OR (United States)"}],"research_orgs":["Univ. of Oregon, Eugene, OR (United States)"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2246651"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2246651"}]}, {"osti_id":"2308758","title":"Qualitative and quantitative enhancement of parameter estimation for model-based diagnostics using automatic differentiation with an application to inertial fusion","doi":"10.1088/2632-2153/ad2493","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Machine Learning: Science and Technology; Journal Volume: 5; Journal Issue: 1","description":"Parameter estimation using observables is a fundamental concept in the experimental sciences. Mathematical models that represent the physical processes can enable reconstructions of the experimental observables and greatly assist in parameter estimation by turning it into an optimization problem which can be solved by gradient-free or gradient-based methods. In this work, the recent rise in flexible frameworks for developing differentiable scientific computing programs is leveraged in order to dramatically accelerate data analysis of a common experimental diagnostic relevant to laser–plasma and inertial fusion experiments, Thomson scattering. A differentiable Thomson-scattering data analysis tool is developed that uses reverse-mode automatic differentiation (AD) to calculate gradients. By switching from finite differencing to reverse-mode AD, three distinct outcomes are achieved. First, gradient descent is accelerated dramatically to the extent that it enables near real-time usage in laser–plasma experiments. Second, qualitatively novel quantities which require $\\mathcal{O}(10^3)$ parameters can now be included in the analysis of data which enables unprecedented measurements of small-scale laser–plasma phenomena. Third, uncertainty estimation approaches that leverage the value of the Hessian become accurate and efficient because reverse-mode AD can be used for calculating the Hessian.","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"IOP Publishing","journal_name":"Machine Learning: Science and Technology","journal_issue":"1","journal_volume":"5","format":"Medium: ED; Size: Article No. 015026","authors":["Milder, A. L. [Univ. of Alberta, Edmonton, AB (Canada); Univ. of Rochester, NY (United States). Lab. for Laser Energetics] (ORCID:0000000299886109)","Joglekar, A. S. [Univ. of Rochester, NY (United States). Lab. for Laser Energetics; Ergodic LLC, Seattle, WA (United States)] (ORCID:0000000335995629)","Rozmus, W. [Univ. of Alberta, Edmonton, AB (Canada)]","Froula, D. H. [Univ. of Rochester, NY (United States). Lab. for Laser Energetics] (ORCID:0000000169813956)"],"subjects":["97 MATHEMATICS AND COMPUTING","automatic differentiation","Thomson scattering","diagnostic analysis","electron velocity distribution function"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003856","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Univ. of Rochester, NY (United States). Lab. for Laser Energetics"}],"research_orgs":["Univ. of Rochester, NY (United States). Lab. for Laser Energetics"],"journal_issn":"ISSN 2632-2153","other_identifiers":["Journal ID: ISSN 2632-2153; 2023-496","1912","2901"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308758"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2308758"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308758"}]}, {"osti_id":"2322454","title":"2D Metal/Graphene and 2D Metal/Graphene/Metal Systems for Electrocatalytic Conversion of CO\n <sub>2<\/sub>\n to Formic Acid","doi":"10.1002/ange.202320268","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Angewandte Chemie Journal Volume: 136 Journal Issue: 12","description":"<title>Abstract<\/title>\n <p>\n Efficiently transforming CO\n <sub>2<\/sub>\n into renewable energy sources is crucial for decarbonization efforts. Formic acid (HCOOH) holds great promise as a hydrogen storage compound due to its high hydrogen density, non‐toxicity, and stability under ambient conditions. However, the electrochemical reduction of CO\n <sub>2<\/sub>\n (CO\n <sub>2<\/sub>\n RR) on conventional carbon black‐supported metal catalysts faces challenges such as low stability through dissolution and agglomeration, as well as suffering from high overpotentials and the necessity to overcome the competitive hydrogen evolution reaction (HER). In this study, we modify the physical/chemical properties of metal surfaces by depositing metal monolayers on graphene (M/G) to create highly active and stable electrocatalysts. Strong covalent bonding between graphene and metal is induced by the hybridization of\n <italic>sp<\/italic>\n and\n <italic>d<\/italic>\n orbitals, especially the sharp\n <inline-graphic href=\'graphic/ange202320268-math-0001.png\' title=\'urn:x-wiley:00448249:media:ange202320268:ange202320268-math-0001\'/>\n ,\n <inline-graphic href=\'graphic/ange202320268-math-0002.png\' title=\'urn:x-wiley:00448249:media:ange202320268:ange202320268-math-0002\'/>\n , and\n <inline-graphic href=\'graphic/ange202320268-math-0003.png\' title=\'urn:x-wiley:00448249:media:ange202320268:ange202320268-math-0003\'/>\n orbitals of metals near the Fermi level, playing a decisive role. Moreover, charge polarization on graphene in M/G enables the deposition of another thin metallic film, forming metal/graphene/metal (M/G/M) structures. Finally, evaluating overpotentials required for CO\n <sub>2<\/sub>\n reduction to HCOOH, CO, and HER, we find that Pd/G, Pt/G/Ag, and Pt/G/Au exhibit excellent activity and selectivity toward HCOOH production. Our novel 2D hybrid catalyst design methodology may offer insights into enhanced electrochemical reactions through the electronic mixing of metal and other p‐block elements.\n <\/p>","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Angewandte Chemie","journal_issue":"12","journal_volume":"136","format":"Medium: X","authors":["Cho, Jinwon [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA]","Medina, Arturo [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA]","Saih, Ines [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA]","Il Choi, Ji [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA]","Drexler, Matthew [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA]","Goddard, III, William A. [Materials and Process Simulation Center California Institute of Technology Pasadena CA 91125 USA] (ORCID:0000000300975716)","Alamgir, Faisal M. [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA] (ORCID:0000000208948096)","Jang, Seung Soon [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA] (ORCID:000000021920421X)"],"article_type":"Published Article","doe_contract_number":"SC0021266","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0044-8249","other_identifiers":["Journal ID: ISSN 0044-8249; e202320268"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322454"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322454"}]}, {"osti_id":"2322448","title":"2D Metal/Graphene and 2D Metal/Graphene/Metal Systems for Electrocatalytic Conversion of CO\n <sub>2<\/sub>\n to Formic Acid","doi":"10.1002/anie.202320268","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Angewandte Chemie (International Edition) Journal Volume: 63 Journal Issue: 12","description":"<title>Abstract<\/title>\n <p>\n Efficiently transforming CO\n <sub>2<\/sub>\n into renewable energy sources is crucial for decarbonization efforts. Formic acid (HCOOH) holds great promise as a hydrogen storage compound due to its high hydrogen density, non‐toxicity, and stability under ambient conditions. However, the electrochemical reduction of CO\n <sub>2<\/sub>\n (CO\n <sub>2<\/sub>\n RR) on conventional carbon black‐supported metal catalysts faces challenges such as low stability through dissolution and agglomeration, as well as suffering from high overpotentials and the necessity to overcome the competitive hydrogen evolution reaction (HER). In this study, we modify the physical/chemical properties of metal surfaces by depositing metal monolayers on graphene (M/G) to create highly active and stable electrocatalysts. Strong covalent bonding between graphene and metal is induced by the hybridization of\n <italic>sp<\/italic>\n and\n <italic>d<\/italic>\n orbitals, especially the sharp\n <inline-graphic href=\'graphic/anie202320268-math-0001.png\' title=\'urn:x-wiley:14337851:media:anie202320268:anie202320268-math-0001\'/>\n ,\n <inline-graphic href=\'graphic/anie202320268-math-0002.png\' title=\'urn:x-wiley:14337851:media:anie202320268:anie202320268-math-0002\'/>\n , and\n <inline-graphic href=\'graphic/anie202320268-math-0003.png\' title=\'urn:x-wiley:14337851:media:anie202320268:anie202320268-math-0003\'/>\n orbitals of metals near the Fermi level, playing a decisive role. Moreover, charge polarization on graphene in M/G enables the deposition of another thin metallic film, forming metal/graphene/metal (M/G/M) structures. Finally, evaluating overpotentials required for CO\n <sub>2<\/sub>\n reduction to HCOOH, CO, and HER, we find that Pd/G, Pt/G/Ag, and Pt/G/Au exhibit excellent activity and selectivity toward HCOOH production. Our novel 2D hybrid catalyst design methodology may offer insights into enhanced electrochemical reactions through the electronic mixing of metal and other p‐block elements.\n <\/p>","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Angewandte Chemie (International Edition)","journal_issue":"12","journal_volume":"63","format":"Medium: X","authors":["Cho, Jinwon [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA]","Medina, Arturo [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA]","Saih, Ines [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA]","Il Choi, Ji [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA]","Drexler, Matthew [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA]","Goddard, III, William A. [Materials and Process Simulation Center California Institute of Technology Pasadena CA 91125 USA] (ORCID:0000000300975716)","Alamgir, Faisal M. [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA] (ORCID:0000000208948096)","Jang, Seung Soon [School of materials Science and Engineering Georgia Institute of Technology 771 Ferst Dr. Atlanta GA 30332–0245 USA] (ORCID:000000021920421X)"],"article_type":"Published Article","doe_contract_number":"SC0021266","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1433-7851","other_identifiers":["Journal ID: ISSN 1433-7851; e202320268"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322448"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322448"}]}, {"osti_id":"2301735","title":"Benchmarking a Molecular Flake Model on the Road to Programmable Graphene-Based Single-Atom Catalysts","doi":"10.1021/acs.jpcc.3c07681","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry. C Journal Volume: 128 Journal Issue: 7","description":"Single-atom catalysts (SACs) of embedding an active metal in nitrogen-doped graphene are emergent catalytic materials in various applications. The rational design of efficient SACs necessitates an electronic and mechanistic understanding of those materials with reliable quantum mechanical simulations. Conventional computational methods of modeling SACs involve using an infinite slab model with periodic boundary condition, limiting to the selection of generalized gradient approximations as the exchange correlation (XC) functional within density functional theory (DFT). However, these DFT approximations suffer from electron self-interaction error and delocalization error, leading to errors in predicted charge-transfer energetics. An alternative strategy is using a molecular flake model, which carved out the important catalytic center by cleaving C–C bonds and employing a hydrogen capping scheme to saturate the innocent dangling bonds at the molecular boundary. By doing so, we can afford more accurate hybrid XC functionals, or even high-level correlated wavefunction theory, to study those materials. In this work, we compared the structural, electronic, and catalytic properties of SACs simulated using molecular flake models and periodic slab models with first-row transition metals as the active sites. Molecular flake models successfully reproduced structural properties, including both global distortion and local metalcoordination environment, as well as electronic properties, including spin magnetic moments and metal partial charges, for all transition metals studied. In addition, we calculated CO binding strength as a descriptor for electrochemical CO<sub>2<\/sub> reduction reactivity and noted qualitatively similar trends between two models. Using the computationally efficient molecular flake models, we investigated the effect of tuning Hartree–Fock exchange in a global hybrid functional on the CO binding strength and observed system-dependent sensitivities. Overall, our calculations provide valuable insights into the development of accurate and efficient computational tools to simulate SACs.","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry. C","journal_issue":"7","journal_volume":"128","format":"Medium: X; Size: p. 2876-2883","authors":["Gallagher, Colin [Department of Chemical Engineering, Northeastern University, Boston, Massachusetts 02115, United States]","Siddiqui, Wali [Department of Chemical Engineering, Northeastern University, Boston, Massachusetts 02115, United States]","Arnold, Tyler [Department of Chemical Engineering, Northeastern University, Boston, Massachusetts 02115, United States]","Cheng, Carmen [Department of Chemical Engineering, Northeastern University, Boston, Massachusetts 02115, United States]","Su, Eric [Department of Chemical Engineering, Northeastern University, Boston, Massachusetts 02115, United States]","Zhao, Qing [Department of Chemical Engineering, Northeastern University, Boston, Massachusetts 02115, United States] (ORCID:0000000250039355)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Adsorption","Chemical calculations","Metals","Molecular modeling","Transition metals"],"article_type":"Published Article","doe_contract_number":"AR0001786; EEC-1757650","orgs_sponsor":[{"name":"USDOE Advanced Research Projects Agency - Energy (ARPA-E)"},{"name":"National Science of Foundation (NSF)"}],"sponsor_orgs":["USDOE Advanced Research Projects Agency - Energy (ARPA-E)","National Science of Foundation (NSF)"],"orgs_research":[{"name":"Northeastern Univ., Boston, MA (United States)"}],"research_orgs":["Northeastern Univ., Boston, MA (United States)"],"journal_issn":"ISSN 1932-7447","other_identifiers":["Journal ID: ISSN 1932-7447"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301735"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301735"}]}, {"osti_id":"2311299","title":"Second harmonic generation for estimating state of charge of lithium-ion batteries","doi":"10.1063/5.0187829","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Physics Letters; Journal Volume: 124; Journal Issue: 7","description":"This study applied the nonlinear ultrasonic method, second harmonic generation, to precisely estimate the state of charge (SoC) in lithium-ion batteries. The second harmonic of the longitudinal wave is generated on a pouch cell battery at 5 MHz with a through-transmission setup. The relative nonlinear parameter β\' is determined by analyzing the amplitudes at the fundamental and second harmonic frequencies. To enhance the nonlinear parameter\'s measurement accuracy, multiple excitation amplitudes are employed. Two separate charge/discharge tests (four-cycle and eight-cycle) are conducted on the battery at a rate of C/10. The nonlinear parameter is measured periodically during the charge/discharge process, and temperature compensation is applied to the measurement. The correlation curves between the nonlinear parameter and the actual SoC align well for the four-cycle and eight-cycle tests, and a robust linear relationship is observed for both correlation curves. A linear model and a second-order polynomial model are applied to fit the correlation using all data points from both tests. The two models are employed to validate the SoC prediction on a second battery by using a four-cycle test. Furthermore, the results indicate that both models can predict the SoC with an accuracy of approximately 3%, whereas the polynomial model demonstrates smaller errors in the regions near 0% and 100% SoC. Therefore, the nonlinear parameter β\', measured through the second harmonic generation, can effectively predict lithium-ion battery SoC with an accuracy of less than 3%.","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Applied Physics Letters","journal_issue":"7","journal_volume":"124","format":"Medium: ED; Size: Article No. 073902","authors":["Sun, Hongbin [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000230912823)","Ramuhalli, Pradeep [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000163721743)","Amin, Ruhul [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000200543510)","Belharouak, Ilias [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000239850278)"],"subjects":["25 ENERGY STORAGE"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0003-6951","other_identifiers":["Journal ID: ISSN 0003-6951"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311299"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311299"}]}, {"osti_id":"2301727","title":"Lithium-Ion Battery Power Performance Assessment for the Climb Step of an Electric Vertical Takeoff and Landing (eVTOL) Application","doi":"10.1021/acsenergylett.3c02385","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Energy Letters Journal Volume: 9 Journal Issue: 3","description":"High power is a critical requirement of lithium-ion batteries designed to satisfy the load profiles of advanced air mobility. Here, we simulate the initial takeoff step of electric vertical takeoff and landing (eVTOL) vehicles powered by a lithium-ion battery that is subjected to an intense 15C discharge pulse at the beginning of the discharge cycle followed by a subsequent low-rate discharge. We conducted extensive electrochemical testing to assess the long-term stability of a lithium-ion battery under these high-strain conditions. The main finding is that despite the performance recovery observed at low rates, the reapplication of high rates leads to drastic cell failure. While the results highlight the eVTOL battery longevity challenge, the findings also emphasize the need for tailored battery chemistry designs for eVTOL applications to address both anode plating and cathode instability. In addition, innovative second-use strategies would be paramount upon completion of the eVTOL services.","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Energy Letters","journal_issue":"3","journal_volume":"9","format":"Medium: X; Size: p. 934-940","authors":["Dixit, Marm [Electrification and Energy Infrastructures Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States] (ORCID:0000000295999288)","Bisht, Anuj [Electrification and Energy Infrastructures Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States]","Essehli, Rachid [Electrification and Energy Infrastructures Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States]","Amin, Ruhul [Electrification and Energy Infrastructures Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States] (ORCID:0000000200543510)","Kweon, Chol-Bum M. [Army Research Directorate, Combat Capabilities Development Command Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005, United States]","Belharouak, Ilias [Electrification and Energy Infrastructures Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States] (ORCID:0000000239850278)"],"subjects":["batteries","electrochemical cells","electrodes","polarization","power"],"article_type":"Published Article","doe_contract_number":"AC05- 00OR22725; AC05-00OR22725","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"US Army Research Office (ARO)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","US Army Research Office (ARO)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2380-8195","other_identifiers":["Journal ID: ISSN 2380-8195"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301727"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301727"}]}, {"osti_id":"2301722","title":"Variations in Bedrock and Vegetation Cover Modulate Subsurface Water Flow Dynamics of a Mountainous Hillslope","doi":"10.1029/2023WR036137","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Water Resources Research Journal Volume: 60 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Predicting the hydrological response of watersheds to climate disturbances requires a detailed understanding of the processes connecting hillslopes and streams. Using a network of soil moisture and temperature sensors, electrical resistivity tomography monitoring, and a weather station we assess the above and below‐ground processes driving the hydrological response of a hillslope during snowmelt and summer monsoon. The transect covers bedrock and vegetation gradients, with a steep upper part characterized by shallow bedrock, and gentle lower part underlain by colluvium. The main vegetation cover is conifers on the upper, and grass and veratrum on the lower part. Combined with a simplified hydrological model, we show that the thin soil layer of the steep slope acts as a preferential flow path, leading to mostly shallow lateral flow, interrupted by vertical flow, mostly at tree locations, and likely facilitated by flow along fractures and roots. Vertical flow and upstream‐driven groundwater dynamics are prevailing at the colluvium, presenting a very different hydrological behavior compared to the upper part. These results show that subsurface structure and features have a strong control on the hydrological response of a hillslope and that those can create considerably varying hydrological dynamics across small spatial scales.<\/p>","publication_date":"2024-02-11T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Water Resources Research","journal_issue":"2","journal_volume":"60","format":"Medium: X","authors":["Uhlemann, S. [Lawrence Berkeley National Laboratory One Cyclotron Road Berkeley CA USA] (ORCID:0000000276737346)","Peruzzo, L. [Lawrence Berkeley National Laboratory One Cyclotron Road Berkeley CA USA, Department of Geosciences University of Padua Padova Italy] (ORCID:0000000240658910)","Chou, C. [Lawrence Berkeley National Laboratory One Cyclotron Road Berkeley CA USA]","Williams, K. H. [Lawrence Berkeley National Laboratory One Cyclotron Road Berkeley CA USA] (ORCID:0000000235681155)","Wielandt, S. [Lawrence Berkeley National Laboratory One Cyclotron Road Berkeley CA USA] (ORCID:0000000226722998)","Wang, C. [Lawrence Berkeley National Laboratory One Cyclotron Road Berkeley CA USA]","Falco, N. [Lawrence Berkeley National Laboratory One Cyclotron Road Berkeley CA USA] (ORCID:0000000333076098)","Wu, Y. [Lawrence Berkeley National Laboratory One Cyclotron Road Berkeley CA USA] (ORCID:0000000269530179)","Carr, B. [University of Wyoming Laramie WY USA] (ORCID:0000000213784911)","Meldrum, P. [British Geological Survey Nottingham UK]","Chambers, J. [British Geological Survey Nottingham UK] (ORCID:000000028135776X)","Dafflon, B. [Lawrence Berkeley National Laboratory One Cyclotron Road Berkeley CA USA] (ORCID:0000000198715650)"],"article_type":"Published Article","doe_contract_number":"DE‐AC02‐05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0043-1397","other_identifiers":["Journal ID: ISSN 0043-1397; e2023WR036137"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301722"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301722"}]}, {"osti_id":"2301810","title":"Underestimation of multi-decadal global O\n <sub>2<\/sub>\n loss due to an optimal interpolation method","doi":"10.5194/bg-21-747-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Biogeosciences (Online) Journal Volume: 21 Journal Issue: 3","description":"<p>Abstract. The global ocean\'s oxygen content has declined significantly over the past several decades and is expected to continue decreasing under global warming, with far-reaching impacts on marine ecosystems and biogeochemical cycling. Determining the oxygen trend, its spatial pattern, and uncertainties from observations is fundamental to our understanding of the changing ocean environment. This study uses a suite of CMIP6 Earth system models to evaluate the biases and uncertainties in oxygen distribution and trends due to sampling sparseness. Model outputs are sub-sampled according to the spatial and temporal distribution of the historical shipboard measurements, and the data gaps are filled by a simple optimal interpolation method using Gaussian covariance with a constant e-folding length scale. Sub-sampled results are compared to full model output, revealing the biases in global and basin-wise oxygen content trends. The simple optimal interpolation underestimates the modeled global deoxygenation trends, capturing approximately two-thirds of the full model trends. The North Atlantic and subpolar North Pacific are relatively well sampled, and the simple optimal interpolation is capable of reconstructing more than 80 % of the oxygen trend in the non-eddying CMIP models. In contrast, pronounced biases are found in the equatorial oceans and the Southern Ocean, where the sampling density is relatively low. The application of the simple optimal interpolation method to the historical dataset estimated the global oxygen loss to be 1.5 % over the past 50 years. However, the ratio of the global oxygen trend between the sub-sampled and full model output has increased the estimated loss rate in the range of 1.7 % to 3.1 % over the past 50 years, which partially overlaps with previous studies. The approach taken in this study can provide a framework for the intercomparison of different statistical gap-filling methods to estimate oxygen content trends and their uncertainties due to sampling sparseness.<\/p>","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Biogeosciences (Online)","journal_issue":"3","journal_volume":"21","format":"Medium: X; Size: p. 747-759","authors":["Ito, Takamitsu (ORCID:000000019873099X)","Garcia, Hernan E.","Wang, Zhankun","Minobe, Shoshiro (ORCID:0000000294879006)","Long, Matthew C. (ORCID:0000000312732957)","Cebrian, Just","Reagan, James","Boyer, Tim","Paver, Christopher (ORCID:0000000252117820)","Bouchard, Courtney","Takano, Yohei","Bushinsky, Seth (ORCID:0000000151064678)","Cervania, Ahron (ORCID:0000000259763163)","Deutsch, Curtis A."],"article_type":"Published Article","doe_contract_number":"SC0021300","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1726-4189","other_identifiers":["Journal ID: ISSN 1726-4189"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301810"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301810"}]}, {"osti_id":"2315609","title":"Calibration improvements expand filterscope diagnostic use","doi":"10.1063/5.0175421","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Review of Scientific Instruments; Journal Volume: 95; Journal Issue: 2","description":"The filterscope diagnostic on DIII-D utilizes photomultiplier tubes to measure visible light emission from the plasma. The system has undergone a substantial upgrade since previous attempts to cross-calibrate the filterscope with other spectroscopic diagnostics were unsuccessful. The optics now utilize a dichroic mirror to initially split the light at nearly 99% transmission or reflectance for light below or above 550 nm. This allows the system to measure D<sub>α<\/sub> emission without degrading visible light emission from the plasma for wavelengths below 550 nm (to measure D<sub>β<\/sub>, D<sub>γ<\/sub>, W–I, C-III, etc.). Additional optimization of the optical components and calibration techniques reduce the error in the signal up to 10% in some channels compared to previous methods. Cross-calibration measurements with two other high resolution spectroscopic diagnostics now show excellent agreement for the first time. This expands the capabilities of the filterscope system allowing measurement of divertor detachment, emission profiles, edge-localized mode behavior, and plasma–wall interactions. Additionally, it enables direct comparisons against calculations from boundary plasma simulations. These were not possible before.","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Review of Scientific Instruments","journal_issue":"2","journal_volume":"95","format":"Medium: ED; Size: Article No. 023504","authors":["Herfindal, J. L. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000032846597X)","Unterberg, E. A. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000313538865)","Davda, K. M. [Univ. of Tennessee, Knoxville, TN (United States)] (ORCID:0000000315340748)","Garren, E. W. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Groth, M. [Aalto Univ. (Finland)] (ORCID:0000000173971586)","Scotti, F. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000201969919)","Sontag, A. C. [Univ. of Wisconsin, Madison, WI (United States)] (ORCID:0000000312235985)","Truong, D. D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)] (ORCID:0000000285732539)","Wilcox, R. S. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000313691739)"],"subjects":["47 OTHER INSTRUMENTATION"],"article_type":"Accepted Manuscript","doe_contract_number":"FC02-04ER54698; AC05-00OR22725; AC52-07NA27344; NA0003525","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"General Atomics, San Diego, CA (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["General Atomics, San Diego, CA (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0034-6748","other_identifiers":["Journal ID: ISSN 0034-6748; A29854"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315609"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315609"}]}, {"osti_id":"2301788","title":"Efficient learning of\n <math>\n <mi>t<\/mi>\n <\/math>\n -doped stabilizer states with single-copy measurements","doi":"10.22331/q-2024-02-12-1250","product_type":"Journal Article","language":"English","country_publication":"Austria","relation":"Journal Name: Quantum Journal Volume: 8","description":"<p>\n One of the primary objectives in the field of quantum state learning is to develop algorithms that are time-efficient for learning states generated from quantum circuits. Earlier investigations have demonstrated time-efficient algorithms for states generated from Clifford circuits with at most\n <math>\n <mi>log<\/mi>\n <mo>⁡<\/mo>\n <mo stretchy=\'false\'>(<\/mo>\n <mi>n<\/mi>\n <mo stretchy=\'false\'>)<\/mo>\n <\/math>\n non-Clifford gates. However, these algorithms necessitate multi-copy measurements, posing implementation challenges in the near term due to the requisite quantum memory. On the contrary, using solely single-qubit measurements in the computational basis is insufficient in learning even the output distribution of a Clifford circuit with one additional\n <math>\n <mi>T<\/mi>\n <\/math>\n gate under reasonable post-quantum cryptographic assumptions. In this work, we introduce an efficient quantum algorithm that employs only nonadaptive single-copy measurement to learn states produced by Clifford circuits with a maximum of\n <math>\n <mi>O<\/mi>\n <mo stretchy=\'false\'>(<\/mo>\n <mi>log<\/mi>\n <mo>⁡<\/mo>\n <mi>n<\/mi>\n <mo stretchy=\'false\'>)<\/mo>\n <\/math>\n non-Clifford gates, filling a gap between the previous positive and negative results.\n <\/p>","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Verein zur Forderung des Open Access Publizierens in den Quantenwissenschaften","journal_name":"Quantum","journal_volume":"8","format":"Medium: X; Size: Article No. 1250","authors":["Chia, Nai-Hui [Department of Computer Science, Rice University, TX 77005-1892, United States] (ORCID:0000000241387956)","Lai, Ching-Yi [Institute of Communications Engineering, National Yang Ming Chiao Tung University, Hsinchu 300093, Taiwan] (ORCID:0000000319708167)","Lin, Han-Hsuan [Department of Computer Science, National Tsing Hua University, Hsinchu 30013, Taiwan] (ORCID:0000000251260174)"],"article_type":"Published Article","doe_contract_number":"SC0024301","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2521-327X","other_identifiers":["Journal ID: ISSN 2521-327X; 1250"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301788"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301788"}]}, {"osti_id":"2301704","title":"Identifying a list of Salmonella serotypes of concern to target for reducing risk of salmonellosis","doi":"10.3389/fmicb.2024.1307563","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Microbiology Journal Volume: 15","description":"<p>\n There is an increasing awareness in the field of\n <italic>Salmonella<\/italic>\n epidemiology that focusing control efforts on those serotypes which cause severe human health outcomes, as opposed to broadly targeting all\n <italic>Salmonella<\/italic>\n , will likely lead to the greatest advances in decreasing the incidence of salmonellosis. Yet, little guidance exists to support validated, scientific selection of target serotypes. The goal of this perspective is to develop an approach to identifying serotypes of greater concern and present a case study using meat- and poultry-attributed outbreaks to examine challenges in developing a standardized framework for defining target serotypes.\n <\/p>","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Microbiology","journal_volume":"15","format":"Medium: X","authors":["Katz, Tatum S.","Harhay, Dayna M.","Schmidt, John W.","Wheeler, Tommy L."],"article_type":"Published Article","doe_contract_number":"SC0014664","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1664-302X","other_identifiers":["Journal ID: ISSN 1664-302X; 1307563"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301704"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301704"}]}, {"osti_id":"2320351","title":"Assessing the release, transport, and retention of radioactive aerosols from hypothetical breaches in spent fuel storage canisters","report_number":"SAND-2024-02764J","doi":"10.3389/fenrg.2024.1229025","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Frontiers in Energy Research; Journal Volume: 12; Journal Issue: 1","description":"Interim dry storage of spent nuclear fuel involves storing the fuel in welded stainless-steel canisters. Under certain conditions, the canisters could be subjected to environments that may promote stress corrosion cracking leading to a risk of breach and release of aerosol-sized particulate from the interior of the canister to the external environment through the crack. Research is currently under way by several laboratories to better understand the formation and propagation of stress corrosion cracks, however little work has been done to quantitatively assess the potential aerosol release. The purpose of the present work is to introduce a reliable generic numerical model for prediction of aerosol transport, deposition, and plugging in leak paths similar to stress corrosion cracks, while accounting for potential plugging from particle deposition. The model is dynamic (changing leak path geometry due to plugging) and it relies on the numerical solution of the aerosol transport equation in one dimension using finite differences. The model’s capabilities were also incorporated into a Graphical User Interface (GUI) that was developed to enhance user accessibility. Model validation efforts presented in this paper compare the model’s predictions with recent experimental data from Sandia National Laboratories (SNL) and results available in literature. We expect this model to improve the accuracy of consequence assessments and reduce the uncertainty of radiological consequence estimations in the remote event of a through-wall breach in dry cask storage systems.","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Frontiers Research Foundation","journal_name":"Frontiers in Energy Research","journal_issue":"1","journal_volume":"12","format":"Medium: ED; Size: p. 1-14","authors":["Sasikumar, Yadukrishnan [Purdue Univ., West Lafayette, IN (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Chatzidakis, Stylianos [Purdue Univ., West Lafayette, IN (United States)]","Dahm, Zachery [Purdue Univ., West Lafayette, IN (United States)]","Durbin, Samuel G. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Montgomery, Rose [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]"],"subjects":["12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES","42 ENGINEERING","spent fuel storage","aerosol transport modelling","spent fuel aerosols","spent fuel disposal","predicting aerosol release through Stress Corrosion Cracks predicting aerosol release through Stress Corrosion Cracks"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525; AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE), Office of Spent Fuel and Waste Disposition. Office of Spent Fuel and Waste Science and Technology"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE), Office of Spent Fuel and Waste Disposition. Office of Spent Fuel and Waste Science and Technology"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2296-598X","other_identifiers":["Journal ID: ISSN 2296-598X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320351"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2320351"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320351"}]}, {"osti_id":"2301672","title":"Determination of the spins and parities for the <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:msubsup><mml:mn>0<\/mml:mn><mml:mrow><mml:mn>4<\/mml:mn><\/mml:mrow><mml:mo>+<\/mml:mo><\/mml:msubsup><\/mml:math> and <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:msubsup><mml:mn>0<\/mml:mn><mml:mrow><mml:mn>5<\/mml:mn><\/mml:mrow><mml:mo>+<\/mml:mo><\/mml:msubsup><\/mml:math> states in <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mmultiscripts><mml:mi>Zr<\/mml:mi><mml:mprescripts /><mml:none /><mml:mn>100<\/mml:mn><\/mml:mmultiscripts><\/mml:math>","doi":"10.1103/physrevc.109.024314","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. C; Journal Volume: 109; Journal Issue: 2","description":"Here, two 0<sup>+<\/sup> states at 1294.5 and 1774.0 keV, together with three 2<sup>+<\/sup> and one 4<sup>+<\/sup> levels, were identified or unambiguously spin-parity assigned for the first time in <sup>100<\/sup>Zr utilizing γ-ray spectroscopy and γ–γ angular correlation techniques with the Gammasphere spectrometer, following the β<sup>–<\/sup> decay of neutron-rich, mass-separated <sup>100,100m<\/sup>Y isotopes. Comparisons with recent Monte Carlo shell-model calculations indicate that these two states are candidates for the bandhead of a sequence in a shape-coexisting spherical minimum predicted to be located around ≈1500 keV. According to the measured relative B(E2)<sub>relative<\/sub> transition probabilities, the 0$^+_5$ state exhibits decay properties which more closely align with those predicted for a spherical shape, while the 0$^+_4$ level is suggested to be associated with a weakly deformed shape similar to one related to the 0$^+_2$ state.","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. C","journal_issue":"2","journal_volume":"109","format":"Medium: ED; Size: Article No. 024314","authors":["Wu, Jin [Brookhaven National Laboratory (BNL), Upton, NY (United States). National Nuclear Data Center (NNDC); Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000205510531)","Carpenter, Michael P. [Argonne National Laboratory (ANL), Argonne, IL (United States)]","Kondev, Filip G. [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000295675785)","Janssens, Robert V. F. [Univ. of North Carolina, Chapel Hill, NC (United States); Duke Univ., Durham, NC (United States). Triangle Universities Nuclear Laboratory] (ORCID:0000000170951715)","Zhu, Shaofei [Argonne National Laboratory (ANL), Argonne, IL (United States)]","McCutchan, Elizabeth A. [Brookhaven National Laboratory (BNL), Upton, NY (United States). National Nuclear Data Center (NNDC)]","Ayangeakaa, Akaa Daniel [Univ. of North Carolina, Chapel Hill, NC (United States); Duke Univ., Durham, NC (United States). Triangle Universities Nuclear Laboratory] (ORCID:0000000316793175)","Chen, Jun [Argonne National Laboratory (ANL), Argonne, IL (United States); Michigan State Univ., East Lansing, MI (United States)]","Clark, Jason [Argonne National Laboratory (ANL), Argonne, IL (United States)]","Hartley, Daryl J. [US Naval Academy, Annapolis, MD (United States)]","Lauritsen, Torben [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000295600388)","Pietralla, Norbert [Technische Univ. Darmstadt (Germany)]","Savard, Guy [Argonne National Laboratory (ANL), Argonne, IL (United States)]","Seweryniak, Darek [Argonne National Laboratory (ANL), Argonne, IL (United States)]","Werner, Volker [Technische Univ. Darmstadt (Germany)] (ORCID:0000000340010150)"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS","beta decay","electromagnetic transitions","nuclear structure & decays"],"article_type":"Accepted Manuscript","doe_contract_number":"FG02-97ER41041; AC02-98CH10886; AC02-06CH11357; FG02-97ER41033; SC0020451","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation"],"orgs_research":[{"name":"University of North Carolina, Chapel Hill, NC (United States)"},{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["University of North Carolina, Chapel Hill, NC (United States)","Brookhaven National Laboratory (BNL), Upton, NY (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 2469-9985","other_identifiers":["Journal ID: ISSN 2469-9985; DE-FG02-97ER41033"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301672"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301672"}]}, {"osti_id":"2294176","title":"Numerical implications of including drifts in SOLPS-ITER simulations of EAST","doi":"10.1063/5.0175163","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physics of Plasmas","description":"The inclusion of drifts in plasma edge codes like SOLPS-ITER is required to match simulation data with experimental profiles. However, this remains numerically challenging. In this paper, the effect of some numerical factors on the final plasma solution is investigated. This study is performed on three EAST simulations in upper single null configuration: an attached purely deuterium case, an attached case with limited Ne-seeding and a detached Ne-seeded case. The effects of the anomalous conductivity and anomalous thermo-electric coefficient on the plasma potential are investigated. Next, the effect of the employed grids is shown. In order to investigate these effects, accurate drift simulations are needed. Therefore, the employed time step and numerical parameters are discussed for the three studied simulations. For all presented simulations, it is verified that the restriction of the grid to the first flux surface tangent to the main chamber wall is sufficient within the context of non-extended simulations. This means that the main power dissipation takes place inside the simulated domain and only a small fraction of the power is leaving the B2.5 grid trough the grid boundary closest to the first wall. Lastly the effect of drifts on the asymmetry between the inner and outer target for EAST simulations is demonstrated.","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","journal_name":"Physics of Plasmas","format":"Medium: ED; Size: Article No. 023905","authors":["Boeyaert, Dieter [University of Wisconsin-Madison, WI (United States); KU Leuven (Belgium); Forschungszentrum Jülich GmbH (Germany)]","Carli, Stefano [KU Leuven (Belgium)]","Dekeyser, Wouter [KU Leuven (Belgium)]","Wiesen, Sven [Jülich GmbH (Germany)]","Baelmans, Martine [KU Leuven (Belgium)]"],"subjects":["Energy equations","Computer simulation","Deuterium","Plasma dynamics","Plasma simulation","Plasma transport properties","Tokamaks"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0014210","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"}],"sponsor_orgs":["USDOE Office of Science (SC)"],"orgs_research":[{"name":"University of Wisconsin-Madison, WI (United States)"}],"research_orgs":["University of Wisconsin-Madison, WI (United States)"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294176"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294176"}]}, {"osti_id":"2301766","title":"Evaluation of coated steels in supercritical CO\n <sub>2<\/sub>","doi":"10.1002/maco.202314271","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Materials and Corrosion","description":"<title>Abstract<\/title>\n <p>\n The carburizing supercritical CO\n <sub>2<\/sub>\n (sCO\n <sub>2<\/sub>\n ) environment limits the use of lower cost steels in the lower temperature (450–650°C) portions of the sCO\n <sub>2<\/sub>\n Brayton cycle because of concerns about internal carburization and embrittlement. Results on a ferritic–martensitic steel and conventional and advanced austenitic steels at 450–650°C in 30 MPa sCO\n <sub>2<\/sub>\n with and without 1% O\n <sub>2<\/sub>\n and 0.1% H\n <sub>2<\/sub>\n O additions have indicated that sCO\n <sub>2<\/sub>\n environments will have lower maximum operating temperatures compared to steam plants. Pack Al and Cr coatings were evaluated at 650°C on T91 and 316H substrates and showed some benefit for up to 2000 h at 650°C, especially without impurities. However, characterization indicated Al\n <sub>2<\/sub>\n O\n <sub>3<\/sub>\n was not formed and Cr‐rich carbides formed in the Cr coatings. With the addition of impurities in the sCO\n <sub>2<\/sub>\n , the coatings were less protective at 650°C. Subsequent exposures at 600°C in sCO\n <sub>2<\/sub>\n showed similar behavior. Postexposure evaluations included measuring the bulk C content and room temperature tensile properties. Improvements were indicated but the tensile results were complicated by the high temperature pack coating process affecting the substrate properties.\n <\/p>","publication_date":"2024-02-11T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Materials and Corrosion","format":"Medium: X","authors":["Pint, Bruce A. [Materials Science &, Technology Division Oak Ridge National Laboratory Oak Ridge Tennessee USA] (ORCID:0000000291653335)","Pillai, Rishi [Materials Science &, Technology Division Oak Ridge National Laboratory Oak Ridge Tennessee USA] (ORCID:0000000243688197)","Su, Yi‐Feng [Materials Science &, Technology Division Oak Ridge National Laboratory Oak Ridge Tennessee USA]","Lance, Michael J. [Materials Science &, Technology Division Oak Ridge National Laboratory Oak Ridge Tennessee USA] (ORCID:0000000151675452)","Keiser, James R. [Materials Science &, Technology Division Oak Ridge National Laboratory Oak Ridge Tennessee USA] (ORCID:0000000347187776)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0947-5117","other_identifiers":["Journal ID: ISSN 0947-5117; maco.202314271"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301766"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301766"}]}, {"osti_id":"2282671","title":"Synthesis, characterization, and density functional theory investigation of (CH\n <sub>6<\/sub>\n N\n <sub>3<\/sub>\n )\n <sub>2<\/sub>\n [NpO\n <sub>2<\/sub>\n Cl\n <sub>3<\/sub>\n ] and Rb[NpO\n <sub>2<\/sub>\n Cl\n <sub>2<\/sub>\n (H\n <sub>2<\/sub>\n O)] chain structures","doi":"10.1039/D3DT03630H","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Dalton Transactions Journal Volume: 53 Journal Issue: 7","description":"<p>\n The bonding, non-covalent interactions, vibrational features, and formation reactions were explored with Np(v) Cl\n <sup>-<\/sup>\n compounds. DFT calculated ΔH\n <sub>r<\/sub>\n of chain formation showed the thermodynamic favorability of reactions forming the molecular components.\n <\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Dalton Transactions","journal_issue":"7","journal_volume":"53","format":"Medium: X; Size: p. 3397-3406","authors":["Rajapaksha, Harindu [Department of Chemistry, University of Iowa, Iowa City, IA 52242, USA] (ORCID:0000000239888882)","Benthin, Grant C. [Department of Chemistry, University of Iowa, Iowa City, IA 52242, USA] (ORCID:0009000505593874)","Markun, Emma L. [Department of Chemistry, University of Iowa, Iowa City, IA 52242, USA] (ORCID:0000000319600068)","Mason, Sara E. [Department of Chemistry, University of Iowa, Iowa City, IA 52242, USA, Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, NY 11973, USA]","Forbes, Tori Z. [Department of Chemistry, University of Iowa, Iowa City, IA 52242, USA] (ORCID:0000000252348127)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1477-9226","other_identifiers":["Journal ID: ISSN 1477-9226; ICHBD9"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282671"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282671"}]}, {"osti_id":"2301707","title":"A-site occupancy effects on structure, ionic conductivity, and thermodynamic stability of KxMgx/2Ti8−x/2O16","doi":"10.1557/s43580-024-00790-8","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: MRS Advances","description":"<title>Abstract<\/title>\n <p>\n K\n <sub>\n <italic>x<\/italic>\n <\/sub>\n Mg\n <sub>\n <italic>x<\/italic>\n /2\n <\/sub>\n Ti\n <sub>\n 8−\n <italic>x<\/italic>\n /2\n <\/sub>\n O\n <sub>16<\/sub>\n (1.54 ≤ \n <italic>x<\/italic>\n  ≤ 2) hollandite samples synthesized using a conventional solid-state route were used to investigate the effect of structure, ionic conductivity, and thermodynamic stability as a function of A-site (K) occupancy. The ionic conductivity, as measured using AC impedance spectroscopy, decreased as the A-site occupancy (and K content) increased. Titanate hollandite, of the form K\n <sub>\n <italic>x<\/italic>\n <\/sub>\n Mg\n <sub>\n <italic>x<\/italic>\n /2\n <\/sub>\n Ti\n <sub>\n 8−\n <italic>x<\/italic>\n /2\n <\/sub>\n O\n <sub>16<\/sub>\n , was measured using high-temperature oxide melt solution calorimetry in sodium molybdate (3Na\n <sub>2<\/sub>\n O\n <inline-formula>\n <alternatives>\n <tex-math>$$\\bullet$$<\/tex-math>\n <math>\n <mo>∙<\/mo>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n 4MoO\n <sub>3<\/sub>\n ) solvent at 804\n <inline-formula>\n <alternatives>\n <tex-math>$$^\\circ{\\rm C}$$<\/tex-math>\n <math>\n <mrow>\n <msup>\n <mrow/>\n <mo>∘<\/mo>\n <\/msup>\n <mi>C<\/mi>\n <\/mrow>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n . The enthalpies of formation are strongly exothermic indicating that they are thermodynamically stable relative to their constituent oxides. Previous studies have demonstrated increased stability with an increase in Cs content at fixed A-site occupancy. This work demonstrated an increase in the stability for the K-bearing hollandite samples with an increase in K content and tunnel occupancy. The measured enthalpies of formation (∆\n <italic>H<\/italic>\n <sub>f,ox<\/sub>\n ) were in good agreement with density functional theory (DFT) predictions.\n <\/p>\n <p>\n <bold>Graphical abstract<\/bold>\n <\/p>","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Cambridge University Press (CUP)","journal_name":"MRS Advances","format":"Medium: X","authors":["Cassell, Nakeshma S.","Birkner, Nancy","Mishra, A. K.","Jadhav, Shraddha","Mofrad, Amir M.","Bessmann, Theodore M.","Amoroso, Jake W.","Li, Yuhan","Wang, Lumin","Brinkman, Kyle S. (ORCID:0000000222191253)"],"article_type":"Published Article","doe_contract_number":"SC0016574","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2059-8521","other_identifiers":["Journal ID: ISSN 2059-8521; PII: 790"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301707"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301707"}]}, {"osti_id":"2301807","title":"Field-Scale Testing of a High-Efficiency Membrane Reactor (MR)—Adsorptive Reactor (AR) Process for H2 Generation and Pre-Combustion CO2 Capture","doi":"10.3390/membranes14020051","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Membranes Journal Volume: 14 Journal Issue: 2","description":"<p>The study objective was to field-validate the technical feasibility of a membrane- and adsorption-enhanced water gas shift reaction process employing a carbon molecular sieve membrane (CMSM)-based membrane reactor (MR) followed by an adsorptive reactor (AR) for pre-combustion CO2 capture. The project was carried out in two different phases. In Phase I, the field-scale experimental MR-AR system was designed and constructed, the membranes, and adsorbents were prepared, and the unit was tested with simulated syngas to validate functionality. In Phase II, the unit was installed at the test site, field-tested using real syngas, and a technoeconomic analysis (TEA) of the technology was completed. All project milestones were met. Specifically, (i) high-performance CMSMs were prepared meeting the target H2 permeance (>1 m3/(m2.hbar) and H2/CO selectivity of >80 at temperatures of up to 300 °C and pressures of up to 25 bar with a <10% performance decline over the testing period; (ii) pelletized adsorbents were prepared for use in relevant conditions (250 °C < T < 450 °C, pressures up to 25 bar) with a working capacity of >2.5 wt.% and an attrition rate of <0.2; (iii) TEA showed that the MR-AR technology met the CO2 capture goals of 95% CO2 purity at a cost of electricity (COE) 30% less than baseline approaches.<\/p>","publication_date":"2024-02-11T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"MDPI AG","journal_name":"Membranes","journal_issue":"2","journal_volume":"14","format":"Medium: X; Size: Article No. 51","authors":["Margull, Nicholas","Parsley, Doug","Somiari, Ibubeleye","Zhao, Linghao","Cao, Mingyuan","Koumoulis, Dimitrios","Liu, Paul K. T.","Manousiouthakis, Vasilios I.","Tsotsis, Theodore T."],"article_type":"Published Article","doe_contract_number":"F0037137","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2077-0375","other_identifiers":["Journal ID: ISSN 2077-0375; MBSEB6; PII: membranes14020051"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301807"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301807"}]}, {"osti_id":"2202830","title":"Muon identification using multivariate techniques in the CMS experiment in proton-proton collisions at $\\sqrt{s}$ = 13 TeV","report_number":"CMS-MUO-22-001; CERN-EP-2023-205; FERMILAB-PUB-23-614-CMS; arXiv:2310.03844","doi":"10.1088/1748-0221/19/02/p02031","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Instrumentation; Journal Volume: 19; Journal Issue: 02","description":"The identification of prompt and isolated muons, as well as muons from heavy-flavour hadron decays, is an important task. We developed two multivariate techniques to provide highly efficient identification for muons with transverse momentum greater than 10 GeV. One provides a continuous variable as an alternative to a cut-based identification selection and offers a better discrimination power against misidentified muons. The other one selects prompt and isolated muons by using isolation requirements to reduce the contamination from nonprompt muons arising in heavy-flavour hadron decays. Both algorithms are developed using 59.7 fb<sup>-1<\/sup> of proton-proton collisions data at a centre-of-mass energy of $\\sqrt{(s)}$=13 TeV collected in 2018 with the CMS experiment at the CERN LHC.","publication_date":"2024-02-23T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Institute of Physics (IOP)","journal_name":"Journal of Instrumentation","journal_issue":"02","journal_volume":"19","format":"Medium: ED; Size: Article No. P02031","authors":["Hayrapetyan, A. [Yerevan Physics Institute, Yerevan (Armenia); CMS Collaboration.et al.]","Tumasyan, A. (ORCID:0009000006846742)","Adam, W. (ORCID:0000000190994341)","Andrejkovic, J. W.","Bergauer, T. (ORCID:0000000257860293)","Chatterjee, S. (ORCID:0000000326600349)","Damanakis, K. (ORCID:0000000153892872)","Dragicevic, M. (ORCID:0000000319676783)","Escalante Del Valle, A. (ORCID:0000000297026359)","Hussain, P. S. (ORCID:0000000248255278)","Jeitler, M. (ORCID:0000000251419560)","Krammer, N. (ORCID:0000000205480985)","Liko, D. (ORCID:000000023380473X)","Mikulec, I. (ORCID:0000000303852746)","Schieck, J. (ORCID:0000000210588093)","Schöfbeck, R. (ORCID:0000000223328784)","Schwarz, D. (ORCID:0000000238217331)","Sonawane, M. (ORCID:0000000305107010)","Templ, S. (ORCID:0000000331375692)","Waltenberger, W. (ORCID:0000000262157228)","Wulz, C. -E. (ORCID:0000000192265812)","Darwish, M. R. (ORCID:0000000328942377)","Janssen, T. (ORCID:0000000239984081)","Van Mechelen, P. (ORCID:0000000287319051)","Bols, E. S. (ORCID:0000000285648732)","D\'Hondt, J. (ORCID:0000000295986241)","Dansana, S. (ORCID:0000000277527471)","De Moor, A. (ORCID:0000000159641935)","Delcourt, M. (ORCID:0000000182061787)","El Faham, H. (ORCID:0000000188942390)","Lowette, S. (ORCID:0000000339849987)","Makarenko, I. (ORCID:0000000285534508)","Müller, D. (ORCID:0000000217524527)","Sahasransu, A. R. (ORCID:0000000315051743)","Tavernier, S. (ORCID:0000000267929522)","Tytgat, M. (ORCID:0000000239902074)","Van Putte, S. (ORCID:0000000315593606)","Vannerom, D. (ORCID:0000000227475095)","Clerbaux, B. (ORCID:0000000185478211)","De Lentdecker, G. (ORCID:0000000151247693)","Favart, L. (ORCID:0000000316457454)","Hohov, D. (ORCID:0000000247601597)","Jaramillo, J. (ORCID:0000000338856608)","Khalilzadeh, A.","Lee, K. (ORCID:0000000308084184)","Mahdavikhorrami, M. (ORCID:0000000282653595)","Malara, A. (ORCID:0000000186459282)","Paredes, S. (ORCID:0000000184879603)","Pétré, L. (ORCID:0009000079795771)","Postiau, N.","Thomas, L. (ORCID:0000000227563853)","Vanden Bemden, M. (ORCID:0009000077257945)","Vander Velde, C. (ORCID:0000000333927294)","Vanlaer, P. (ORCID:0000000279314496)","De Coen, M. (ORCID:0000000258547442)","Dobur, D. (ORCID:0000000300124866)","Hong, Y. (ORCID:0000000347522458)","Knolle, J. (ORCID:0000000247815704)","Lambrecht, L. (ORCID:0000000191081560)","Mestdach, G.","Rendón, C.","Samalan, A.","Skovpen, K. (ORCID:0000000211600621)","Van Den Bossche, N. (ORCID:0000000329734991)","Wezenbeek, L. (ORCID:000000016952891X)","Benecke, A. (ORCID:0000000302523609)","Bruno, G. (ORCID:0000000188578197)","Caputo, C. (ORCID:0000000175224808)","Delaere, C. (ORCID:0000000187076021)","Donertas, I. S. (ORCID:000000017485412X)","Giammanco, A. (ORCID:0000000196408294)","Jaffel, K. (ORCID:0000000174194248)","Jain, Sa (ORCID:0000000150783689)","Lemaitre, V.","Lidrych, J. (ORCID:0000000314390196)","Mastrapasqua, P. (ORCID:0000000220432367)","Mondal, K. (ORCID:0000000159671245)","Tran, T. T. (ORCID:000000033060350X)","Wertz, S. (ORCID:0000000286453670)","Alves, G. A. (ORCID:0000000283691446)","Coelho, E. (ORCID:0000000161149907)","Hensel, C. (ORCID:0000000188747624)","Menezes De Oliveira, T.","Moraes, A. (ORCID:0000000251575686)","Rebello Teles, P. (ORCID:0000000190298506)","Soeiro, M.","Aldá Júnior, W. L. (ORCID:0000000158559817)","Alves Gallo Pereira, M. (ORCID:0000000342967028)","Barroso Ferreira Filho, M. (ORCID:0000000339040571)","Brandao Malbouisson, H. (ORCID:000000021326318X)","Carvalho, W. (ORCID:0000000307386615)","Chinellato, J.","Da Costa, E. M. (ORCID:0000000250166434)","Da Silveira, G. G. (ORCID:0000000335147056)","De Jesus Damiao, D. (ORCID:0000000237691680)","Fonseca De Souza, S. (ORCID:0000000178300837)","Martins, J. (ORCID:0000000221202782)","Mora Herrera, C. (ORCID:0000000339153170)","Mota Amarilo, K. (ORCID:0000000317073348)","Mundim, L. (ORCID:0000000199647805)","Nogima, H. (ORCID:0000000177051066)","Santoro, A. (ORCID:000000020568665X)","Silva Do Amaral, S. M. (ORCID:0000000202099687)","Sznajder, A. (ORCID:0000000169981108)","Thiel, M. (ORCID:0000000171397963)","Vilela Pereira, A. (ORCID:0000000331774626)","Bernardes, C. A. (ORCID:0000000157909563)","Calligaris, L. (ORCID:0000000299519448)","Fernandez Perez Tomei, T. R. (ORCID:0000000218095226)","Gregores, E. M. (ORCID:0000000302051672)","Mercadante, P. G. (ORCID:0000000183334302)","Novaes, S. F. (ORCID:0000000304718549)","Orzari, B. (ORCID:0000000342324743)","Padula, Sandra S. (ORCID:0000000330710559)","Aleksandrov, A. (ORCID:0000000169342541)","Antchev, G. (ORCID:0000000332105037)","Hadjiiska, R. (ORCID:0000000318241737)","Iaydjiev, P. (ORCID:0000000163300607)","Misheva, M. (ORCID:0000000348545301)","Shopova, M. (ORCID:0000000166642493)","Sultanov, G. (ORCID:0000000280303866)","Dimitrov, A. (ORCID:000000032899701X)","Ivanov, T. (ORCID:0000000304899191)","Litov, L. (ORCID:0000000285116883)","Pavlov, B. (ORCID:0000000336350646)","Petkov, P. (ORCID:0000000204209480)","Petrov, A. (ORCID:0009000388991514)","Shumka, E. (ORCID:0000000201042574)","Keshri, S. (ORCID:0000000332802350)","Thakur, S. (ORCID:0000000216470360)","Cheng, T. (ORCID:0000000329549315)","Guo, Q.","Javaid, T. (ORCID:0009000727574054)","Mittal, M. (ORCID:0000000268338521)","Yuan, L. (ORCID:0000000267195397)","Bauer, G.","Hu, Z. (ORCID:0000000182094343)","Yi, K. (ORCID:0000000224591824)","Chen, G. M. (ORCID:0000000226295420)","Chen, H. S. (ORCID:0000000186728227)","Chen, M. (ORCID:0000000304899669)","Iemmi, F. (ORCID:0000000159114051)","Jiang, C. H.","Kapoor, A. (ORCID:0000000218441504)","Liao, H. (ORCID:0000000201246999)","Liu, Z. -A. (ORCID:0000000228961386)","Monti, F. (ORCID:0000000158463655)","Shahzad, M. A.","Sharma, R. (ORCID:0000000311811426)","Song, J. N.","Tao, J. (ORCID:0000000320063490)","Wang, C.","Wang, J. (ORCID:0000000231031083)","Wang, Z.","Zhang, H. (ORCID:0000000188435209)","Agapitos, A. (ORCID:0000000289531232)","Ban, Y. (ORCID:0000000219120374)","Levin, A. (ORCID:0000000195654186)","Li, C. (ORCID:0000000263398154)","Li, Q. (ORCID:0000000282900517)","Mao, Y.","Qian, S. J. (ORCID:000000020630481X)","Sun, X. (ORCID:0000000344094574)","Wang, D. (ORCID:0000000290131199)","Yang, H.","Zhou, C. (ORCID:0000000159047258)","You, Z. (ORCID:0000000183243291)","Lu, N. (ORCID:0000000226316770)","Gao, X. (ORCID:0000000172052318)","Leggat, D.","Okawa, H. (ORCID:0000000225486567)","Zhang, Y. (ORCID:0000000245542554)","Lin, Z. (ORCID:0000000318123474)","Lu, C. (ORCID:0000000274210313)","Xiao, M. (ORCID:0000000196289336)","Avila, C. (ORCID:0000000256102693)","Barbosa Trujillo, D. A.","Cabrera, A. (ORCID:0000000204866296)","Florez, C. (ORCID:0000000232220249)","Fraga, J. (ORCID:0000000251378543)","Reyes Vega, J. A.","Mejia Guisao, J. (ORCID:000000021153816X)","Ramirez, F. (ORCID:0000000271780484)","Rodriguez, M. (ORCID:000000029480213X)","Ruiz Alvarez, J. D. (ORCID:0000000233060363)","Giljanovic, D. (ORCID:0009000567926881)","Godinovic, N. (ORCID:0000000246749450)","Lelas, D. (ORCID:0000000282695760)","Sculac, A. (ORCID:0000000179387559)","Kovac, M. (ORCID:0000000223914599)","Sculac, T. (ORCID:0000000295784105)","Bargassa, P. (ORCID:0000000186123332)","Brigljevic, V. (ORCID:0000000158470062)","Chitroda, B. K. (ORCID:0000000202208441)","Ferencek, D. (ORCID:0000000191161202)","Mishra, S. (ORCID:0000000235104833)","Starodumov, A. (ORCID:0000000195709255)","Susa, T. (ORCID:0000000174302552)","Attikis, A. (ORCID:0000000244433794)","Christoforou, K. (ORCID:0000000322051100)","Konstantinou, S. (ORCID:0000000304087636)","Mousa, J. (ORCID:0000000229782718)","Nicolaou, C.","Ptochos, F. (ORCID:0000000234323452)","Razis, P. A. (ORCID:0000000248550162)","Rykaczewski, H.","Saka, H. (ORCID:0000000176162573)","Stepennov, A. (ORCID:0000000177476582)","Finger, M. (ORCID:0000000278289970)","Finger, M. (ORCID:0000000331552484)","Kveton, A. (ORCID:0000000181971914)","Ayala, E. (ORCID:0000000203639198)","Carrera Jarrin, E. (ORCID:0000000208578507)","Abdalla, H. (ORCID:0000000241777209)","Assran, Y.","Mahmoud, M. A. (ORCID:0000000186925458)","Mohammed, Y. (ORCID:0000000183993017)","Dewanjee, R. K. (ORCID:0000000166456244)","Ehataht, K. (ORCID:0000000223874777)","Kadastik, M.","Lange, T. (ORCID:0000000162427331)","Nandan, S. (ORCID:0000000293808919)","Nielsen, C. (ORCID:0000000235328132)","Pata, J. (ORCID:0000000251915759)","Raidal, M. (ORCID:0000000170409491)","Tani, L. (ORCID:0000000265527255)","Veelken, C. (ORCID:000000023364916X)","Kirschenmann, H. (ORCID:0000000173692536)","Osterberg, K. (ORCID:0000000348070414)","Voutilainen, M. (ORCID:0000000252006477)","Bharthuar, S. (ORCID:0000000158719622)","Brücken, E. (ORCID:0000000160668756)","Garcia, F. (ORCID:0000000240237964)","Havukainen, J. (ORCID:0000000328986900)","Kallonen, K. T.S. (ORCID:0000000197697163)","Kim, M. S. (ORCID:0000000303928691)","Kinnunen, R.","Lampén, T. (ORCID:0000000283984249)","Lassila-Perini, K. (ORCID:0000000255021795)","Lehti, S. (ORCID:0000000313705598)","Lindén, T. (ORCID:0009000248478882)","Lotti, M.","Martikainen, L. (ORCID:0000000316093515)","Myllymäki, M. (ORCID:0000000305103810)","Rantanen, M. m. (ORCID:0000000267640016)","Siikonen, H. (ORCID:0000000320395874)","Tuominen, E. (ORCID:0000000270737767)","Tuominiemi, J. (ORCID:0000000303868633)","Luukka, P. (ORCID:0000000323404641)","Petrow, H. (ORCID:0000000211335485)","Tuuva, T.","Besancon, M. (ORCID:0000000332783671)","Couderc, F. (ORCID:0000000320404099)","Dejardin, M. (ORCID:000900082784615X)","Denegri, D.","Faure, J. L.","Ferri, F. (ORCID:000000029860101X)","Ganjour, S. (ORCID:0000000330909744)","Gras, P. (ORCID:0000000239325967)","Hamel de Monchenault, G. (ORCID:0000000238723592)","Lohezic, V. (ORCID:000900087976851X)","Malcles, J. (ORCID:0000000253885565)","Rander, J.","Rosowsky, A. (ORCID:0000000178036650)","Sahin, M. Ö. (ORCID:0000000164024050)","Savoy-Navarro, A. (ORCID:0000000294815168)","Simkina, P. (ORCID:000000029813372X)","Titov, M. (ORCID:0000000211196614)","Baldenegro Barrera, C. (ORCID:0000000260338885)","Beaudette, F. (ORCID:0000000211948556)","Buchot Perraguin, A. (ORCID:000000028597647X)","Busson, P. (ORCID:0000000160274511)","Cappati, A. (ORCID:0000000343860564)","Charlot, C. (ORCID:0000000240878155)","Damas, F. (ORCID:0000000167934359)","Davignon, O. (ORCID:000000018710992X)","De Wit, A. (ORCID:0000000252911661)","Falmagne, G. (ORCID:0000000267623937)","Fontana Santos Alves, B. A. (ORCID:0000000197520624)","Ghosh, S. (ORCID:0009000656925688)","Gilbert, A. (ORCID:0000000175605790)","Granier de Cassagnac, R. (ORCID:0000000212757292)","Hakimi, A. (ORCID:0009000820938131)","Harikrishnan, B. (ORCID:0000000301744020)","Kalipoliti, L. (ORCID:0000000257055059)","Liu, G. (ORCID:0000000170020937)","Motta, J. (ORCID:000000030985913X)","Nguyen, M. (ORCID:0000000173057102)","Ochando, C. (ORCID:0000000238361173)","Portales, L. (ORCID:0000000298609185)","Salerno, R. (ORCID:0000000337352707)","Sarkar, U. (ORCID:0000000298924601)","Sauvan, J. B. (ORCID:0000000151873571)","Sirois, Y. (ORCID:0000000153814807)","Tarabini, A. (ORCID:0000000170985317)","Vernazza, E. (ORCID:0000000349572782)","Zabi, A. (ORCID:0000000272140673)","Zghiche, A. (ORCID:0000000211781450)","Agram, J. -L. (ORCID:0000000174760158)","Andrea, J. (ORCID:0000000282987560)","Apparu, D. (ORCID:0009000418370496)","Bloch, D. (ORCID:0000000245355273)","Brom, J. -M. (ORCID:0000000302493622)","Chabert, E. C. (ORCID:0000000327977690)","Collard, C. (ORCID:0000000252308387)","Falke, S. (ORCID:0000000202641632)","Goerlach, U. (ORCID:0000000189551666)","Grimault, C.","Haeberle, R. (ORCID:0009000750076723)","Le Bihan, A. -C. (ORCID:0000000285450187)","Sessini, M. A. (ORCID:0000000320977065)","Van Hove, P. (ORCID:0000000224313381)","Beauceron, S. (ORCID:0000000280369267)","Blancon, B. (ORCID:0000000190221509)","Boudoul, G. (ORCID:0009000298978439)","Chanon, N. (ORCID:0000000229395646)","Choi, J. (ORCID:0000000260240992)","Contardo, D. (ORCID:0000000167687466)","Depasse, P. (ORCID:0000000175562743)","Dozen, C. (ORCID:000000024301634X)","El Mamouni, H.","Fay, J. (ORCID:0000000157901780)","Gascon, S. (ORCID:0000000272041624)","Gouzevitch, M. (ORCID:000000025524880X)","Greenberg, C.","Grenier, G. (ORCID:0000000219765877)","Ille, B. (ORCID:0000000286793878)","Laktineh, I. B.","Lethuillier, M. (ORCID:0000000161852045)","Mirabito, L.","Perries, S.","Purohit, A. (ORCID:000000030881612X)","Vander Donckt, M. (ORCID:0000000292538611)","Verdier, P. (ORCID:0000000330902948)","Xiao, J. (ORCID:0000000278603958)","Bagaturia, I. (ORCID:0000000186464372)","Lomidze, I. (ORCID:0009000239012765)","Tsamalaidze, Z. (ORCID:0000000153773558)","Botta, V. (ORCID:0000000316619513)","Feld, L. (ORCID:0000000198138646)","Klein, K. (ORCID:0000000215467880)","Lipinski, M. (ORCID:0000000268390063)","Meuser, D. (ORCID:0000000227227526)","Pauls, A. (ORCID:0000000281175376)","Röwert, N. (ORCID:0000000247455470)","Teroerde, M. (ORCID:0000000258921377)","Diekmann, S. (ORCID:0009000488670881)","Dodonova, A. (ORCID:0000000251158487)","Eich, N. (ORCID:0000000194944317)","Eliseev, D. (ORCID:0000000158448156)","Engelke, F. (ORCID:0000000292888144)","Erdmann, M. (ORCID:0000000216531303)","Fackeldey, P. (ORCID:0000000349327162)","Fischer, B. (ORCID:0000000239003482)","Hebbeker, T. (ORCID:000000029736266X)","Hoepfner, K. (ORCID:0000000220088148)","Ivone, F. (ORCID:0000000223885548)","Jung, A. (ORCID:0000000225111490)","Lee, M. y. (ORCID:0000000244301695)","Mastrolorenzo, L.","Merschmeyer, M. (ORCID:0000000320817141)","Meyer, A. (ORCID:0000000195986623)","Mukherjee, S. (ORCID:0000000163419982)","Noll, D. (ORCID:0000000201762360)","Novak, A. (ORCID:0000000203895896)","Nowotny, F.","Pozdnyakov, A. (ORCID:0000000334789081)","Rath, Y.","Redjeb, W. (ORCID:0000000197948292)","Rehm, F.","Reithler, H. (ORCID:000000034409702X)","Sarkisovi, V. (ORCID:0000000194305419)","Schmidt, A. (ORCID:0000000327118984)","Schuler, S. C.","Sharma, A. (ORCID:0000000252951460)","Stein, A. (ORCID:000000030713811X)","Torres Da Silva De Araujo, F. (ORCID:0000000247853057)","Vigilante, L.","Wiedenbeck, S. (ORCID:0000000246929304)","Zaleski, S.","Dziwok, C. (ORCID:0000000198060244)","Flügge, G. (ORCID:0000000336819272)","Haj Ahmad, W. (ORCID:0000000314910446)","Kress, T. (ORCID:0000000227028201)","Nowack, A. (ORCID:0000000235225926)","Pooth, O. (ORCID:0000000164456160)","Stahl, A. (ORCID:0000000283697506)","Ziemons, T. (ORCID:0000000316972130)","Zotz, A. (ORCID:0000000213201712)","Aarup Petersen, H. (ORCID:0009000564827466)","Aldaya Martin, M. (ORCID:0000000315330945)","Alimena, J. (ORCID:0000000160303191)","Amoroso, S.","An, Y. (ORCID:0000000312991879)","Baxter, S. (ORCID:0009000841916716)","Bayatmakou, M. (ORCID:0009000299050667)","Becerril Gonzalez, H. (ORCID:000000015387712X)","Behnke, O. (ORCID:0000000242380991)","Belvedere, A. (ORCID:0000000228028203)","Bhattacharya, S. (ORCID:0000000231970048)","Blekman, F. (ORCID:0000000273667098)","Borras, K. (ORCID:000000031111249X)","Brunner, D. (ORCID:0000000195180435)","Campbell, A. (ORCID:0000000344395748)","Cardini, A. (ORCID:0000000318030999)","Cheng, C.","Colombina, F. (ORCID:000900087130100X)","Consuegra Rodríguez, S. (ORCID:0000000213831837)","Correia Silva, G. (ORCID:0000000162323591)","De Silva, M. (ORCID:0000000258046226)","Eckerlin, G.","Eckstein, D. (ORCID:0000000273666562)","Estevez Banos, L. I. (ORCID:0000000161953102)","Filatov, O. (ORCID:0000000198506170)","Gallo, E. (ORCID:0000000172005175)","Geiser, A. (ORCID:000000030355102X)","Giraldi, A. (ORCID:0000000344232631)","Greau, G.","Guglielmi, V. (ORCID:0000000332407393)","Guthoff, M. (ORCID:000000023974589X)","Hinzmann, A. (ORCID:0000000226334696)","Jafari, A. (ORCID:0000000173271870)","Jeppe, L. (ORCID:0000000210290318)","Jomhari, N. Z. (ORCID:0000000191277408)","Kaech, B. (ORCID:0000000211942306)","Kasemann, M. (ORCID:0000000204292448)","Kaveh, H. (ORCID:0000000232735859)","Kleinwort, C. (ORCID:0000000290179504)","Kogler, R. (ORCID:0000000253364399)","Komm, M. (ORCID:0000000276694294)","Krücker, D. (ORCID:0000000316108844)","Lange, W.","Leyva Pernia, D. (ORCID:0009000987553698)","Lipka, K. (ORCID:0000000284273748)","Lohmann, W. (ORCID:0000000287050857)","Mankel, R. (ORCID:0000000323751563)","Melzer-Pellmann, I. -A. (ORCID:000000017707919X)","Mendizabal Morentin, M. (ORCID:0000000265065177)","Metwally, J.","Meyer, A. B. (ORCID:0000000185322356)","Milella, G. (ORCID:000000022047951X)","Mussgiller, A. (ORCID:0000000283318166)","Nürnberg, A. (ORCID:0000000278763134)","Otarid, Y.","Pérez Adán, D. (ORCID:0000000334160726)","Ranken, E. (ORCID:0000000174725029)","Raspereza, A. (ORCID:000000032167498X)","Ribeiro Lopes, B. (ORCID:000000030823447X)","Rübenach, J.","Saggio, A. (ORCID:0000000273853317)","Scham, M. (ORCID:0000000194942151)","Schnake, S. (ORCID:0000000334096584)","Schütze, P. (ORCID:0000000348026990)","Schwanenberger, C. (ORCID:0000000166996662)","Selivanova, D. (ORCID:0000000270319434)","Shchedrolosiev, M. (ORCID:0000000335102093)","Sosa Ricardo, R. E. (ORCID:0000000222406699)","Sreelatha Pramod, L. P. (ORCID:0000000223519265)","Stafford, D.","Vazzoler, F. (ORCID:0000000181119318)","Ventura Barroso, A. (ORCID:0000000332336636)","Walsh, R. (ORCID:0000000238724114)","Wang, Q. (ORCID:0000000310148677)","Wen, Y. (ORCID:0000000287249604)","Wichmann, K.","Wiens, L. (ORCID:0000000244234461)","Wissing, C. (ORCID:0000000250908004)","Wuchterl, S. (ORCID:0000000199559258)","Yang, Y. (ORCID:0009000934300558)","Zimermmane Castro Santos, A. (ORCID:0000000193023102)","Albrecht, A. (ORCID:0000000160046180)","Albrecht, S. (ORCID:0000000259606803)","Antonello, M. (ORCID:000000019094482X)","Bein, S. (ORCID:0000000193877407)","Benato, L. (ORCID:0000000151357489)","Bonanomi, M. (ORCID:0000000336296264)","Connor, P. (ORCID:0000000325001061)","Eich, M.","El Morabit, K. (ORCID:000000015886220X)","Fischer, Y. (ORCID:0000000231841457)","Fröhlich, A.","Garbers, C. (ORCID:0000000150942256)","Garutti, E. (ORCID:0000000306345539)","Grohsjean, A. (ORCID:0000000307488494)","Hajheidari, M.","Haller, J. (ORCID:0000000193477657)","Jabusch, H. R. (ORCID:0000000324441014)","Kasieczka, G. (ORCID:0000000334572755)","Keicher, P.","Klanner, R. (ORCID:0000000270049227)","Korcari, W. (ORCID:0000000180175502)","Kramer, T. (ORCID:0000000270040214)","Kutzner, V. (ORCID:0000000319853807)","Labe, F. (ORCID:0000000218709443)","Lange, J. (ORCID:0000000175136330)","Lobanov, A. (ORCID:0000000253760877)","Matthies, C. (ORCID:0000000173794540)","Mehta, A. (ORCID:0000000204334484)","Moureaux, L. (ORCID:0000000223109266)","Mrowietz, M.","Nigamova, A. (ORCID:0000000285228500)","Nissan, Y.","Paasch, A. (ORCID:0000000222085178)","Pena Rodriguez, K. J. (ORCID:0000000228779744)","Quadfasel, T. (ORCID:000000032360351X)","Raciti, B. (ORCID:0009000559956685)","Rieger, M. (ORCID:0000000307972606)","Savoiu, D. (ORCID:0000000167947475)","Schindler, J. (ORCID:0009000665510660)","Schleper, P. (ORCID:0000000156286827)","Schröder, M. (ORCID:0000000180589828)","Schwandt, J. (ORCID:000000020052597X)","Sommerhalder, M. (ORCID:0000000157467371)","Stadie, H. (ORCID:0000000205138119)","Steinbrück, G. (ORCID:0000000283552761)","Tews, A.","Wolf, M. (ORCID:0000000330022430)","Brommer, S. (ORCID:0000000189882035)","Burkart, M.","Butz, E. (ORCID:0000000224035801)","Chwalek, T. (ORCID:0000000280093723)","Dierlamm, A. (ORCID:0000000178049902)","Droll, A.","Faltermann, N. (ORCID:0000000165063107)","Giffels, M. (ORCID:0000000301933032)","Gottmann, A. (ORCID:000000016696349X)","Hartmann, F. (ORCID:0000000189898387)","Hofsaess, R. (ORCID:0009000845755729)","Horzela, M. (ORCID:0000000231907962)","Husemann, U. (ORCID:0000000261988388)","Klute, M. (ORCID:0000000208695631)","Koppenhöfer, R. (ORCID:0000000262565715)","Link, M.","Lintuluoto, A. (ORCID:0000000207261452)","Maier, S. (ORCID:0000000198289778)","Mitra, S. (ORCID:0000000230602278)","Mormile, M. (ORCID:0000000304567250)","Müller, Th (ORCID:0000000343370098)","Neukum, M.","Oh, M. (ORCID:0000000326189203)","Quast, G. (ORCID:0000000240214260)","Rabbertz, K. (ORCID:0000000170409846)","Regnery, B. (ORCID:000000031539923X)","Shadskiy, N. (ORCID:0000000198942095)","Shvetsov, I. (ORCID:0000000270699019)","Simonis, H. J. (ORCID:0000000274672980)","Trevisani, N. (ORCID:0000000252239342)","Ulrich, R. (ORCID:000000022535402X)","van der Linden, J. (ORCID:000000027174781X)","Von Cube, R. F. (ORCID:0000000262375209)","Wassmer, M. (ORCID:0000000204082811)","Wieland, S. (ORCID:0000000338875358)","Wittig, F.","Wolf, R. (ORCID:000000019456383X)","Wunsch, S.","Zuo, X. (ORCID:000000020029493X)","Anagnostou, G.","Assiouras, P. (ORCID:0000000251529006)","Daskalakis, G. (ORCID:0000000160707698)","Kyriakis, A.","Papadopoulos, A.","Stakia, A. (ORCID:0000000162777171)","Kontaxakis, P. (ORCID:0000000248605979)","Melachroinos, G.","Panagiotou, A.","Papavergou, I. (ORCID:0000000279922686)","Paraskevas, I. (ORCID:0000000223755401)","Saoulidou, N. (ORCID:0000000169584196)","Theofilatos, K. (ORCID:000000018448883X)","Tziaferi, E. (ORCID:0000000349580408)","Vellidis, K. (ORCID:0000000156808357)","Zisopoulos, I. (ORCID:0000000152124353)","Bakas, G. (ORCID:0000000302871937)","Chatzistavrou, T.","Karapostoli, G. (ORCID:0000000242802541)","Kousouris, K. (ORCID:0000000263600869)","Papakrivopoulos, I. (ORCID:0000000284400487)","Siamarkou, E.","Tsipolitis, G.","Zacharopoulou, A.","Adamidis, K.","Bestintzanos, I.","Evangelou, I. (ORCID:0000000259035481)","Foudas, C.","Gianneios, P. (ORCID:0009000372330738)","Kamtsikis, C.","Katsoulis, P.","Kokkas, P. (ORCID:0009000937526253)","Kosmoglou Kioseoglou, P. G. (ORCID:0000000274404396)","Manthos, N. (ORCID:0000000332478909)","Papadopoulos, I. (ORCID:0000000299373063)","Strologas, J. (ORCID:0000000222257160)","Bartók, M. (ORCID:0000000244402701)","Hajdu, C. (ORCID:000000027193800X)","Horvath, D. (ORCID:000000030091477X)","Sikler, F. (ORCID:0000000196083901)","Veszpremi, V. (ORCID:0000000197830315)","Csanád, M. (ORCID:0000000231546925)","Farkas, K. (ORCID:0000000317406974)","Gadallah, M. M.A. (ORCID:0000000283056661)","Kadlecsik, Á. (ORCID:0000000155590106)","Major, P. (ORCID:0000000254760414)","Mandal, K. (ORCID:0000000239667182)","Pásztor, G. (ORCID:0000000307079762)","Rádl, A. J. (ORCID:0000000188100388)","Veres, G. I. (ORCID:0000000254404356)","Raics, P.","Ujvari, B. (ORCID:0000000304984265)","Zilizi, G. (ORCID:0000000204800000)","Bencze, G.","Czellar, S.","Karancsi, J. (ORCID:0000000308027665)","Molnar, J.","Szillasi, Z.","Csorgo, T. (ORCID:0000000291109663)","Nemes, F. (ORCID:0000000214516484)","Novak, T. (ORCID:0000000162534356)","Babbar, J. (ORCID:0000000240804156)","Bansal, S. (ORCID:0000000319920336)","Beri, S. B.","Bhatnagar, V. (ORCID:0000000283929610)","Chaudhary, G. (ORCID:0000000301683336)","Chauhan, S. (ORCID:0000000169744129)","Dhingra, N. (ORCID:0000000272006204)","Gupta, R.","Kaur, A. (ORCID:0000000216409180)","Kaur, A. (ORCID:0000000336094777)","Kaur, H. (ORCID:0000000286597092)","Kaur, M. (ORCID:0000000234402767)","Kumar, S. (ORCID:0000000192129108)","Meena, M. (ORCID:0000000345363967)","Sandeep, K. (ORCID:0000000232203668)","Sheokand, T.","Singh, J. B. (ORCID:0000000190292462)","Singla, A. (ORCID:000000032550139X)","Ahmed, A. (ORCID:0000000245008853)","Bhardwaj, A. (ORCID:0000000275443258)","Chhetri, A. (ORCID:0000000174951923)","Choudhary, B. C. (ORCID:0000000150291887)","Kumar, A. (ORCID:0000000334074094)","Naimuddin, M. (ORCID:000000034542386X)","Ranjan, K. (ORCID:0000000255403750)","Saumya, S. (ORCID:0000000178429518)","Acharya, S. (ORCID:0009000129977523)","Baradia, S. (ORCID:0000000198607262)","Barman, S. (ORCID:0000000188911674)","Bhattacharya, S. (ORCID:0000000281104957)","Bhowmik, D.","Dutta, S. (ORCID:0000000196508121)","Dutta, S.","Gomber, B. (ORCID:0000000244460258)","Palit, P. (ORCID:000000021948029X)","Saha, G. (ORCID:0000000261251941)","Sahu, B. (ORCID:0000000280735140)","Sarkar, S.","Ameen, M. M. (ORCID:0000000219099843)","Behera, P. K. (ORCID:0000000215272266)","Behera, S. C. (ORCID:0000000207982727)","Chatterjee, S. (ORCID:0000000301859872)","Jana, P. (ORCID:0000000153105170)","Kalbhor, P. (ORCID:0000000258923743)","Komaragiri, J. R. (ORCID:0000000293446655)","Kumar, D. (ORCID:0000000266365331)","Panwar, L. (ORCID:0000000324614907)","Pradhan, R. (ORCID:0000000170006510)","Pujahari, P. R. (ORCID:0000000209947212)","Saha, N. R. (ORCID:0000000279547898)","Sharma, A. (ORCID:000000020688923X)","Sikdar, A. K. (ORCID:0000000254375217)","Verma, S. (ORCID:0000000311636955)","Aziz, T.","Das, I. (ORCID:0000000254372067)","Dugad, S.","Kumar, M. (ORCID:000000030312057X)","Mohanty, G. B. (ORCID:0000000168507666)","Suryadevara, P.","Bala, A. (ORCID:0000000325651718)","Banerjee, S. (ORCID:0000000279534683)","Chatterjee, R. M.","Guchait, M. (ORCID:0009000409287922)","Jain, Sh (ORCID:0000000317705309)","Karmakar, S. (ORCID:0000000197155663)","Kumar, S. (ORCID:000000022405915X)","Majumder, G. (ORCID:0000000238155222)","Mazumdar, K. (ORCID:0000000331361653)","Mukherjee, S. (ORCID:0000000331220594)","Thachayath, A. (ORCID:0000000165450350)","Bahinipati, S. (ORCID:0000000237445332)","Das, A. K.","Kar, C. (ORCID:0000000264076974)","Maity, D. (ORCID:0000000219896703)","Mal, P. (ORCID:0000000208708420)","Mishra, T. (ORCID:0000000221213932)","Muraleedharan Nair Bindhu, V. K. (ORCID:000000034671815X)","Naskar, K. (ORCID:0000000306384378)","Nayak, A. (ORCID:0000000277164981)","Sadangi, P.","Saha, P. (ORCID:0000000270138094)","Swain, S. K. (ORCID:0000000168713937)","Varghese, S. (ORCID:0009000013188266)","Vats, D. (ORCID:0009000782244664)","Alpana, A. (ORCID:0000000332942345)","Dube, S. (ORCID:0000000251453777)","Kansal, B. (ORCID:0000000266041011)","Laha, A. (ORCID:0000000194407028)","Rastogi, A. (ORCID:0000000312456710)","Sharma, S. (ORCID:0000000168860726)","Bakhshiansohi, H. (ORCID:0000000157413357)","Khazaie, E. (ORCID:0000000198107743)","Zeinali, M. (ORCID:0000000183676257)","Chenarani, S. (ORCID:000000021425076X)","Etesami, S. M. (ORCID:0000000165014137)","Khakzad, M. (ORCID:0000000222125715)","Mohammadi Najafabadi, M. (ORCID:0000000161315987)","Grunewald, M. (ORCID:0000000257540388)","Abbrescia, M. (ORCID:0000000187277544)","Aly, R. (ORCID:0000000168081335)","Colaleo, A. (ORCID:0000000207116319)","Creanza, D. (ORCID:0000000161533044)","D` Anzi, B. (ORCID:0000000293613142)","De Filippis, N. (ORCID:0000000206256811)","De Palma, M. (ORCID:0000000182401913)","Di Florio, A. (ORCID:0000000337198041)","Elmetenawee, W. (ORCID:0000000170690252)","Fiore, L. (ORCID:0000000294701320)","Iaselli, G. (ORCID:0000000325465341)","Maggi, G. (ORCID:0000000153917689)","Maggi, M. (ORCID:0000000284313922)","Margjeka, I. (ORCID:0000000231983025)","Mastrapasqua, V. (ORCID:0000000290825924)","My, S. (ORCID:0000000299382680)","Nuzzo, S. (ORCID:0000000310896317)","Pellecchia, A. (ORCID:0000000332796114)","Pompili, A. (ORCID:0000000312914005)","Pugliese, G. (ORCID:0000000154602638)","Radogna, R. (ORCID:0000000210945038)","Ramirez-Sanchez, G. (ORCID:0000000178045514)","Ramos, D. (ORCID:0000000271651017)","Ranieri, A. (ORCID:0000000179124062)","Silvestris, L. (ORCID:0000000289854891)","Simone, F. M. (ORCID:000000021924983X)","Sözbilir, Ü. (ORCID:0000000168333758)","Stamerra, A. (ORCID:0000000314341968)","Venditti, R. (ORCID:0000000169258649)","Verwilligen, P. (ORCID:0000000292858631)","Zaza, A. (ORCID:0000000209697284)","Abbiendi, G. (ORCID:0000000344997562)","Battilana, C. (ORCID:0000000237533068)","Bonacorsi, D. (ORCID:0000000208359574)","Borgonovi, L. (ORCID:0000000186794443)","Capiluppi, P. (ORCID:0000000344851897)","Castro, A. (ORCID:0000000325270456)","Cavallo, F. R. (ORCID:0000000203267515)","Cuffiani, M. (ORCID:0000000325105039)","Dallavalle, G. M. (ORCID:0000000286140420)","Diotalevi, T. (ORCID:0000000307808785)","Fabbri, F. (ORCID:0000000284469660)","Fanfani, A. (ORCID:0000000322564117)","Fasanella, D. (ORCID:0000000229262691)","Giacomelli, P. (ORCID:0000000263687220)","Giommi, L. (ORCID:0000000335394313)","Grandi, C. (ORCID:0000000159983070)","Guiducci, L. (ORCID:0000000260138293)","Lo Meo, S. (ORCID:0000000332499208)","Lunerti, L. (ORCID:0000000289320283)","Marcellini, S. (ORCID:0000000212338100)","Masetti, G. (ORCID:000000026377800X)","Navarria, F. L. (ORCID:0000000179614889)","Perrotta, A. (ORCID:0000000279967139)","Primavera, F. (ORCID:0000000162538656)","Rossi, A. M. (ORCID:0000000259731305)","Rovelli, T. (ORCID:0000000297464842)","Siroli, G. P. (ORCID:0000000235284125)","Costa, S. (ORCID:0000000199190569)","Di Mattia, A. (ORCID:000000029964015X)","Potenza, R.","Tricomi, A. (ORCID:0000000250715501)","Tuve, C. (ORCID:0000000307393153)","Barbagli, G. (ORCID:0000000217388676)","Bardelli, G. (ORCID:0000000246623305)","Camaiani, B. (ORCID:000000026396622X)","Cassese, A. (ORCID:0000000330104516)","Ceccarelli, R. (ORCID:0000000332329380)","Ciulli, V. (ORCID:0000000319473396)","Civinini, C. (ORCID:0000000249523799)","D\'Alessandro, R. (ORCID:0000000179970306)","Focardi, E. (ORCID:0000000237635267)","Kello, T.","Latino, G. (ORCID:0000000240983502)","Lenzi, P. (ORCID:0000000269278807)","Lizzo, M. (ORCID:0000000172972624)","Meschini, M. (ORCID:0000000291613990)","Paoletti, S. (ORCID:0000000335929509)","Papanastassiou, A.","Sguazzoni, G. (ORCID:0000000207913350)","Viliani, L. (ORCID:0000000219096343)","Benussi, L. (ORCID:0000000223638889)","Bianco, S. (ORCID:0000000283004124)","Campagnola, R.","Caponero, M. (ORCID:0000000257283123)","Meola, S. (ORCID:0000000282337277)","Piccolo, D. (ORCID:000000015404543X)","Saviano, G.","Chatagnon, P. (ORCID:0000000247059582)","Ferro, F. (ORCID:0000000276630805)","Robutti, E. (ORCID:0000000190384500)","Tosi, S. (ORCID:0000000272759193)","Benaglia, A. (ORCID:0000000311248450)","Boldrini, G. (ORCID:000000015490605X)","Brivio, F. (ORCID:0000000195236451)","Cetorelli, F. (ORCID:0000000230611553)","De Guio, F. (ORCID:0000000159278865)","Dinardo, M. E. (ORCID:0000000285757250)","Dini, P. (ORCID:0000000173754899)","Gennai, S. (ORCID:0000000152698517)","Ghezzi, A. (ORCID:0000000281847953)","Govoni, P. (ORCID:0000000202271301)","Guzzi, L. (ORCID:0000000230868260)","Lucchini, M. T. (ORCID:0000000274977450)","Malberti, M. (ORCID:0000000167948419)","Malvezzi, S. (ORCID:0000000202184910)","Massironi, A. (ORCID:0000000207820883)","Menasce, D. (ORCID:0000000299181686)","Moroni, L. (ORCID:000000028387762X)","Paganoni, M. (ORCID:000000032461275X)","Pedrini, D. (ORCID:0000000324144175)","Pinolini, B. S.","Ragazzi, S. (ORCID:0000000182192074)","Redaelli, N. (ORCID:0000000200982716)","Tabarelli de Fatis, T. (ORCID:0000000162624685)","Zuolo, D. (ORCID:0000000330721020)","Buontempo, S. (ORCID:000000019526556X)","Cagnotta, A. (ORCID:0000000288019894)","Carnevali, F.","Cavallo, N. (ORCID:0000000313279058)","De Iorio, A. (ORCID:0000000292581345)","Fabozzi, F. (ORCID:0000000198214151)","Iorio, A. O.M. (ORCID:0000000237981135)","Lista, L. (ORCID:0000000164715492)","Paolucci, P. (ORCID:0000000287734781)","Rossi, B. (ORCID:0000000208078772)","Sciacca, C. (ORCID:0000000284124072)","Ardino, R. (ORCID:0000000183482962)","Azzi, P. (ORCID:000000023129828X)","Bacchetta, N. (ORCID:0000000222055737)","Bisello, D. (ORCID:0000000223598477)","Bortignon, P. (ORCID:0000000253601454)","Bragagnolo, A. (ORCID:0000000334742099)","Carlin, R. (ORCID:0000000179151650)","Checchia, P. (ORCID:0000000283121531)","Dorigo, T. (ORCID:0000000216598727)","Gasparini, F. (ORCID:000000021315563X)","Gasparini, U. (ORCID:0000000272532669)","Grosso, G.","Layer, L.","Lusiani, E. (ORCID:0000000187917978)","Margoni, M. (ORCID:0000000317974330)","Meneguzzo, A. T. (ORCID:0000000258618140)","Migliorini, M. (ORCID:0000000254417755)","Passaseo, M. (ORCID:0000000279304124)","Pazzini, J. (ORCID:0000000211186205)","Ronchese, P. (ORCID:0000000170022051)","Rossin, R. (ORCID:0000000334667500)","Simonetto, F. (ORCID:0000000282792464)","Strong, G. (ORCID:0000000246406108)","Tosi, M. (ORCID:0000000340501769)","Triossi, A. (ORCID:0000000151409154)","Ventura, S. (ORCID:0000000289382193)","Yarar, H.","Zanetti, M. (ORCID:0000000342814582)","Zotto, P. (ORCID:0000000339535996)","Zucchetta, A. (ORCID:0000000303801172)","Abu Zeid, S. (ORCID:0000000208200483)","Aimè, C. (ORCID:0000000304494717)","Braghieri, A. (ORCID:0000000296065604)","Calzaferri, S. (ORCID:0000000211622505)","Fiorina, D. (ORCID:000000027104257X)","Montagna, P. (ORCID:0000000196479420)","Re, V. (ORCID:0000000306973420)","Riccardi, C. (ORCID:0000000301653962)","Salvini, P. (ORCID:0000000192077256)","Vai, I. (ORCID:0000000300375032)","Vitulo, P. (ORCID:0000000192477778)","Ajmal, S. (ORCID:0000000227262858)","Asenov, P. (ORCID:0000000323799903)","Bilei, G. M. (ORCID:0000000241599123)","Ciangottini, D. (ORCID:0000000208434108)","Fanò, L. (ORCID:000000029007629X)","Magherini, M. (ORCID:0000000341083925)","Mantovani, G.","Mariani, V. (ORCID:0000000171088116)","Menichelli, M. (ORCID:000000029004735X)","Moscatelli, F. (ORCID:0000000276763106)","Piccinelli, A. (ORCID:0000000303860527)","Presilla, M. (ORCID:0000000328087315)","Rossi, A. (ORCID:0000000220312955)","Santocchia, A. (ORCID:0000000297702249)","Spiga, D. (ORCID:0000000229916384)","Tedeschi, T. (ORCID:0000000271252905)","Azzurri, P. (ORCID:0000000217175654)","Bagliesi, G. (ORCID:0000000342981620)","Bhattacharya, R. (ORCID:0000000275758639)","Bianchini, L. (ORCID:0000000265986865)","Boccali, T. (ORCID:0000000299309299)","Bossini, E. (ORCID:0000000223032588)","Bruschini, D. (ORCID:0000000172482967)","Castaldi, R. (ORCID:000000030146845X)","Ciocci, M. A. (ORCID:0000000300025462)","Cipriani, M. (ORCID:0000000201514439)","D\'Amante, V. (ORCID:0000000273422592)","Dell\'Orso, R. (ORCID:0000000314149343)","Donato, S. (ORCID:0000000176464977)","Giassi, A. (ORCID:0000000194282296)","Ligabue, F. (ORCID:0000000215497107)","Matos Figueiredo, D. (ORCID:0000000325146930)","Messineo, A. (ORCID:0000000175515613)","Musich, M. (ORCID:0000000179385684)","Palla, F. (ORCID:000000026361438X)","Parolia, S. (ORCID:0000000295662490)","Rizzi, A. (ORCID:0000000245432718)","Rolandi, G. (ORCID:000000020635274X)","Roy Chowdhury, S. (ORCID:0000000157425593)","Sarkar, T. (ORCID:0000000305824167)","Scribano, A. (ORCID:0000000243386332)","Spagnolo, P. (ORCID:0000000179625203)","Tenchini, R. (ORCID:0000000325744383)","Tonelli, G. (ORCID:0000000326069156)","Turini, N. (ORCID:0000000293955230)","Venturi, A. (ORCID:0000000202494142)","Verdini, P. G. (ORCID:0000000200429507)","Barria, P. (ORCID:0000000239247380)","Campana, M. (ORCID:000000015425723X)","Cavallari, F. (ORCID:0000000210613877)","Cunqueiro Mendez, L. (ORCID:0000000167645370)","Del Re, D. (ORCID:0000000308705796)","Di Marco, E. (ORCID:0000000259202438)","Diemoz, M. (ORCID:0000000238108530)","Errico, F. (ORCID:000000018199370X)","Longo, E. (ORCID:0000000162386787)","Meridiani, P. (ORCID:0000000284802259)","Mijuskovic, J. (ORCID:0009000915899980)","Organtini, G. (ORCID:0000000232290781)","Pandolfi, F. (ORCID:0000000187133874)","Paramatti, R. (ORCID:0000000200809550)","Quaranta, C. (ORCID:0000000200426891)","Rahatlou, S. (ORCID:0000000197943360)","Rovelli, C. (ORCID:0000000321737530)","Santanastasio, F. (ORCID:0000000325058359)","Soffi, L. (ORCID:0000000325329876)","Tramontano, R. (ORCID:0000000159795299)","Amapane, N. (ORCID:0000000194492509)","Arcidiacono, R. (ORCID:000000015904142X)","Argiro, S. (ORCID:0000000321503750)","Arneodo, M. (ORCID:0000000277907132)","Bartosik, N. (ORCID:0000000271962237)","Bellan, R. (ORCID:0000000225392376)","Bellora, A. (ORCID:0000000227535473)","Biino, C. (ORCID:0000000213977246)","Cartiglia, N. (ORCID:0000000205489189)","Costa, M. (ORCID:0000000301560790)","Covarelli, R. (ORCID:0000000312165235)","Demaria, N. (ORCID:0000000307439465)","Finco, L. (ORCID:0000000226305465)","Grippo, M. (ORCID:000000030770269X)","Kiani, B. (ORCID:0000000212027652)","Legger, F. (ORCID:0000000314000709)","Luongo, F. (ORCID:0000000327434119)","Mariotti, C. (ORCID:0000000268643294)","Maselli, S. (ORCID:0000000198717859)","Mecca, A. (ORCID:0000000322092527)","Migliore, E. (ORCID:0000000222715192)","Monteno, M. (ORCID:0000000235216333)","Mulargia, R. (ORCID:000000032437013X)","Obertino, M. M. (ORCID:0000000287818192)","Ortona, G. (ORCID:0000000184112971)","Pacher, L. (ORCID:0000000312884838)","Pastrone, N. (ORCID:0000000172911979)","Pelliccioni, M. (ORCID:0000000347286678)","Ruspa, M. (ORCID:0000000276553475)","Siviero, F. (ORCID:0000000244274076)","Sola, V. (ORCID:000000016288951X)","Solano, A. (ORCID:0000000229718214)","Soldi, D. (ORCID:0000000190594831)","Staiano, A. (ORCID:000000031803624X)","Tarricone, C. (ORCID:0000000162330513)","Tornago, M. (ORCID:0000000167681056)","Trocino, D. (ORCID:0000000228305872)","Umoret, G. (ORCID:0000000266747874)","Vlasov, E. (ORCID:0000000286282090)","Belforte, S. (ORCID:0000000184434460)","Candelise, V. (ORCID:0000000236415983)","Casarsa, M. (ORCID:0000000213538964)","Cossutti, F. (ORCID:000000015672214X)","De Leo, K. (ORCID:000000028908409X)","Della Ricca, G. (ORCID:0000000328316982)","Dogra, S. (ORCID:0000000208120758)","Hong, J. (ORCID:0000000294634922)","Huh, C. (ORCID:0000000285132824)","Kim, B. (ORCID:0000000295396815)","Kim, D. H. (ORCID:0000000290236847)","Kim, J.","Lee, H.","Lee, S. W. (ORCID:0000000210283468)","Moon, C. S. (ORCID:0000000182297829)","Oh, Y. D. (ORCID:0000000272199931)","Ryu, M. S. (ORCID:000000021855180X)","Sekmen, S. (ORCID:0000000317265681)","Yang, Y. C. (ORCID:0000000310094621)","Bak, G. (ORCID:0000000200958185)","Gwak, P. (ORCID:0009000973471480)","Kim, H. (ORCID:0000000180199387)","Moon, D. H. (ORCID:0000000256289187)","Asilar, E. (ORCID:000000015680599X)","Kim, D. (ORCID:0000000283369182)","Kim, T. J. (ORCID:0000000183362434)","Merlin, J. A.","Park, J. (ORCID:0000000246836669)","Choi, S. (ORCID:0000000162259876)","Han, S.","Hong, B. (ORCID:0000000222599929)","Lee, K.","Lee, K. S. (ORCID:0000000236807039)","Lee, S. (ORCID:0000000192579643)","Park, J.","Park, S. K.","Yoo, J. (ORCID:0000000304633043)","Goh, J. (ORCID:0000000211292083)","Kim, H. S. (ORCID:0000000265439191)","Kim, Y.","Lee, S.","Almond, J.","Bhyun, J. H.","Choi, J. (ORCID:0000000224835104)","Jun, W. (ORCID:0009000151224552)","Kim, J. (ORCID:0000000198766642)","Kim, J. S.","Ko, S. (ORCID:0000000343779969)","Kwon, H. (ORCID:0009000251655018)","Lee, H. (ORCID:0000000211383700)","Lee, J. (ORCID:0000000167533731)","Lee, J. (ORCID:0000000253517201)","Oh, B. H. (ORCID:0000000295397789)","Oh, S. B. (ORCID:0000000307104956)","Seo, H. (ORCID:0000000239320605)","Yang, U. K.","Yoon, I. (ORCID:0000000234918026)","Jang, W. (ORCID:0000000215719072)","Kang, D. Y.","Kang, Y. (ORCID:0000000160793434)","Kim, S. (ORCID:0000000280157379)","Ko, B.","Lee, J. S.H. (ORCID:0000000221531519)","Lee, Y. (ORCID:0000000155725947)","Park, I. C. (ORCID:0000000345106776)","Roh, Y.","Watson, I. J. (ORCID:0000000321413413)","Yang, S. (ORCID:0000000169056553)","Ha, S. (ORCID:0000000325381551)","Yoo, H. D. (ORCID:0000000238923500)","Choi, M. (ORCID:000000024811626X)","Kim, M. R. (ORCID:0000000222892527)","Lee, H.","Lee, Y. (ORCID:0000000169549964)","Yu, I. (ORCID:0000000315675548)","Beyrouthy, T.","Maghrbi, Y. (ORCID:0000000249607458)","Dreimanis, K. (ORCID:0000000309725641)","Gaile, A. (ORCID:0000000313503523)","Pikurs, G.","Potrebko, A. (ORCID:0000000237768270)","Seidel, M. (ORCID:0000000335506151)","Veckalns, V. (ORCID:0000000336769711)","Strautnieks, N. R. (ORCID:0000000345409048)","Ambrozas, M. (ORCID:0000000324490158)","Juodagalvis, A. (ORCID:0000000215013328)","Rinkevicius, A. (ORCID:000000027510255X)","Tamulaitis, G. (ORCID:0000000229139634)","Bin Norjoharuddeen, N. (ORCID:0000000288187476)","Yusuff, I. (ORCID:0000000327860732)","Zolkapli, Z.","Benitez, J. F. (ORCID:0000000226336712)","Castaneda Hernandez, A. (ORCID:0000000347661546)","Encinas Acosta, H. A.","Gallegos Maríñez, L. G.","León Coello, M. (ORCID:000000023761911X)","Murillo Quijada, J. A. (ORCID:0000000349332092)","Sehrawat, A. (ORCID:0000000268167814)","Valencia Palomo, L. (ORCID:000000028736440X)","Ayala, G. (ORCID:0000000282948692)","Castilla-Valdez, H. (ORCID:0009000595909958)","De La Cruz-Burelo, E. (ORCID:0000000274696974)","Heredia-De La Cruz, I. (ORCID:0000000281336467)","Lopez-Fernandez, R. (ORCID:0000000223894831)","Mondragon Herrera, C. A.","Sánchez Hernández, A. (ORCID:0000000195480358)","Oropeza Barrera, C. (ORCID:0000000197240016)","Ramírez García, M. (ORCID:0000000245643822)","Bautista, I. (ORCID:0000000158733088)","Pedraza, I. (ORCID:0000000226694659)","Salazar Ibarguen, H. A. (ORCID:0000000345567302)","Uribe Estrada, C. (ORCID:0000000224257340)","Bubanja, I.","Raicevic, N. (ORCID:0000000223862290)","Butler, P. H. (ORCID:0000000198782140)","Ahmad, A. (ORCID:0000000247701897)","Asghar, M. I.","Awais, A. (ORCID:000000033563257X)","Awan, M. I.M.","Hoorani, H. R. (ORCID:0000000200885043)","Khan, W. A. (ORCID:0000000304880941)","Avati, V.","Grzanka, L. (ORCID:000000023599854X)","Malawski, M. (ORCID:0000000160050243)","Bialkowska, H. (ORCID:0000000259566258)","Bluj, M. (ORCID:0000000312291442)","Boimska, B. (ORCID:0000000242001541)","Górski, M. (ORCID:000000032146187X)","Kazana, M. (ORCID:0000000278213036)","Szleper, M. (ORCID:000000021697004X)","Zalewski, P. (ORCID:0000000344292888)","Bunkowski, K. (ORCID:0000000163719336)","Doroba, K. (ORCID:0000000278182364)","Kalinowski, A. (ORCID:0000000212805493)","Konecki, M. (ORCID:0000000194824841)","Krolikowski, J. (ORCID:0000000230550236)","Muhammad, A. (ORCID:0000000275357149)","Pozniak, K. (ORCID:0000000154261423)","Zabolotny, W. (ORCID:0000000268334846)","Araujo, M. (ORCID:0000000281523756)","Bastos, D. (ORCID:0000000270322481)","Silva, C.Beirão E. (ORCID:0000000212313819)","Boletti, A. (ORCID:0000000332887737)","Bozzo, M. (ORCID:0000000217150457)","Faccioli, P. (ORCID:0000000318496692)","Gallinaro, M. (ORCID:0000000312612277)","Hollar, J. (ORCID:0000000286640134)","Leonardo, N. (ORCID:0000000297464594)","Niknejad, T. (ORCID:0000000332769482)","Petrilli, A. (ORCID:0000000308871882)","Pisano, M. (ORCID:0000000202647217)","Seixas, J. (ORCID:0000000275310842)","Varela, J. (ORCID:0000000326133146)","Wulff, J. W.","Adzic, P. (ORCID:0000000258627397)","Milenovic, P. (ORCID:0000000171323550)","Dordevic, M. (ORCID:0000000284073236)","Milosevic, J. (ORCID:0000000184864604)","Rekovic, V.","Aguilar-Benitez, M.","Alcaraz Maestre, J. (ORCID:0000000309147474)","Bedoya, Cristina F. (ORCID:0000000180579152)","Cepeda, M. (ORCID:0000000260764083)","Cerrada, M. (ORCID:0000000301121691)","Colino, N. (ORCID:0000000236560259)","De La Cruz, B. (ORCID:0000000190575614)","Delgado Peris, A. (ORCID:0000000285117958)","Fernández Del Val, D. (ORCID:0000000323461590)","Fernández Ramos, J. P. (ORCID:000000020122313X)","Flix, J. (ORCID:0000000326888047)","Fouz, M. C. (ORCID:000000032950976X)","Gonzalez Lopez, O. (ORCID:0000000245326464)","Goy Lopez, S. (ORCID:0000000165085090)","Hernandez, J. M. (ORCID:0000000164367547)","Josa, M. I. (ORCID:0000000249856964)","León Holgado, J. (ORCID:0000000241566460)","Moran, D. (ORCID:0000000219419333)","Morcillo Perez, C. M. (ORCID:000000019634848X)","Navarro Tobar, Á. (ORCID:0000000336061780)","Perez Dengra, C. (ORCID:0000000328214249)","Pérez-Calero Yzquierdo, A. (ORCID:0000000330367965)","Puerta Pelayo, J. (ORCID:0000000173901457)","Redondo, I. (ORCID:0000000337374121)","Redondo Ferrero, D. D. (ORCID:0000000234630559)","Romero, L.","Sánchez Navas, S. (ORCID:0000000161299059)","Urda Gómez, L. (ORCID:0000000278655010)","Vazquez Escobar, J. (ORCID:0000000275332283)","Willmott, C.","de Trocóniz, J. F. (ORCID:0000000207989806)","Alvarez Gonzalez, B. (ORCID:0000000177674810)","Cuevas, J. (ORCID:0000000150800821)","Fernandez Menendez, J. (ORCID:0000000252133708)","Folgueras, S. (ORCID:0000000171911125)","Gonzalez Caballero, I. (ORCID:0000000280873199)","González Fernández, J. R. (ORCID:0000000248258188)","Palencia Cortezon, E. (ORCID:0000000182640287)","Ramón Álvarez, C. (ORCID:0000000311750002)","Rodríguez Bouza, V. (ORCID:0000000272257310)","Soto Rodríguez, A. (ORCID:0000000229938663)","Trapote, A. (ORCID:0000000240302551)","Vico Villalba, C. (ORCID:0000000219051874)","Vischia, P. (ORCID:0000000270888557)","Bhowmik, S. (ORCID:000000031260973X)","Blanco Fernández, S. (ORCID:0000000173010670)","Brochero Cifuentes, J. A. (ORCID:0000000320937856)","Cabrillo, I. J. (ORCID:0000000203674022)","Calderon, A. (ORCID:0000000272052040)","Duarte Campderros, J. (ORCID:0000000306875214)","Fernandez, M. (ORCID:0000000248241087)","Fernandez Madrazo, C. (ORCID:0000000197484336)","Gomez, G. (ORCID:0000000210776553)","Lasaosa García, C. (ORCID:0000000327267111)","Martinez Rivero, C. (ORCID:000000023224956X)","Martinez Ruiz del Arbol, P. (ORCID:0000000277375121)","Matorras, F. (ORCID:0000000342955668)","Matorras Cuevas, P. (ORCID:0000000174817273)","Navarrete Ramos, E. (ORCID:0000000251804020)","Piedra Gomez, J. (ORCID:0000000291571700)","Scodellaro, L. (ORCID:0000000249748330)","Vila, I. (ORCID:0000000267977209)","Vizan Garcia, J. M. (ORCID:0000000268238854)","Jayananda, M. K. (ORCID:000000027577310X)","Kailasapathy, B. (ORCID:0000000324241303)","Sonnadara, D. U.J. (ORCID:0000000178622537)","Wickramarathna, D. D.C. (ORCID:0000000269418478)","Dharmaratna, W. G.D. (ORCID:000000026366837X)","Liyanage, K. (ORCID:0000000237927665)","Perera, N. (ORCID:0000000247479106)","Wickramage, N. (ORCID:0000000177603537)","Abbaneo, D. (ORCID:0000000194161742)","Amendola, C. (ORCID:000000024359836X)","Auffray, E. (ORCID:0000000185401097)","Auzinger, G. (ORCID:0000000170778262)","Baechler, J.","Barney, D. (ORCID:0000000249274921)","Bermúdez Martínez, A. (ORCID:0000000188224727)","Bianco, M. (ORCID:0000000283363282)","Bilin, B. (ORCID:0000000314397128)","Bin Anuar, A. A. (ORCID:0000000229889830)","Bocci, A. (ORCID:0000000265155666)","Brondolin, E. (ORCID:000000015420586X)","Caillol, C. (ORCID:0000000256423040)","Camporesi, T. (ORCID:0000000150661876)","Cerminara, G. (ORCID:0000000228975753)","Chernyavskaya, N. (ORCID:0000000222642229)","d\'Enterria, D. (ORCID:0000000257544303)","Dabrowski, A. (ORCID:0000000325709676)","David, A. (ORCID:0000000158547699)","De Roeck, A. (ORCID:0000000292285271)","Defranchis, M. M. (ORCID:0000000195733714)","Deile, M. (ORCID:0000000150857270)","Dobson, M. (ORCID:0009000750213230)","Fallavollita, F.","Forthomme, L. (ORCID:000000023302336X)","Franzoni, G. (ORCID:0000000191794253)","Funk, W. (ORCID:0000000304226739)","Giani, S.","Gigi, D.","Gill, K. (ORCID:0009000193315145)","Glege, F. (ORCID:0000000245262149)","Gouskos, L. (ORCID:0000000295477471)","Haranko, M. (ORCID:0000000293769235)","Hegeman, J. (ORCID:0000000229382263)","Innocente, V. (ORCID:0000000332092088)","James, T. (ORCID:0000000237270202)","Janot, P. (ORCID:0000000173394272)","Kieseler, J. (ORCID:0000000316447678)","Laurila, S. (ORCID:0000000175078636)","Lecoq, P. (ORCID:0000000231980115)","Leutgeb, E. (ORCID:0000000348383306)","Lourenço, C. (ORCID:0000000308856711)","Maier, B. (ORCID:0000000152707540)","Malgeri, L. (ORCID:0000000201137389)","Mannelli, M. (ORCID:0000000337488946)","Marini, A. C. (ORCID:0000000323510487)","Meijers, F. (ORCID:0000000265303657)","Mersi, S. (ORCID:0000000321556692)","Meschi, E. (ORCID:0000000345026151)","Milosevic, V. (ORCID:0000000211730696)","Moortgat, F. (ORCID:0000000171990046)","Mulders, M. (ORCID:0000000174326634)","Orfanelli, S.","Pantaleo, F. (ORCID:0000000332664357)","Peruzzi, M. (ORCID:000000020416696X)","Petrucciani, G. (ORCID:0000000308894726)","Pfeiffer, A. (ORCID:000000015328448X)","Pierini, M. (ORCID:0000000319394268)","Piparo, D. (ORCID:0009000669583111)","Qu, H. (ORCID:0000000202508655)","Rabady, D. (ORCID:0000000192390605)","Reales Gutiérrez, G.","Rovere, M. (ORCID:0000000180481622)","Sakulin, H. (ORCID:0000000321817258)","Scarfi, S. (ORCID:0009000686893576)","Selvaggi, M. (ORCID:0000000251449655)","Sharma, A. (ORCID:0000000298601650)","Shchelina, K. (ORCID:0000000337420693)","Silva, P. (ORCID:000000025725041X)","Sphicas, P. (ORCID:0000000254565977)","Stahl Leiton, A. G. (ORCID:000000025397252X)","Steen, A. (ORCID:0009000643663463)","Summers, S. (ORCID:0000000342442061)","Treille, D. (ORCID:0009000559529843)","Tropea, P. (ORCID:0000000318992266)","Tsirou, A.","Walter, D. (ORCID:0000000185849705)","Wanczyk, J. (ORCID:0000000285621863)","Wozniak, K. A. (ORCID:0000000243951581)","Zehetner, P. (ORCID:0009000205554697)","Zejdl, P. (ORCID:0000000195547815)","Zeuner, W. D.","Bevilacqua, T. (ORCID:0000000197912353)","Caminada, L. (ORCID:0000000156776033)","Ebrahimi, A. (ORCID:000000034472867X)","Erdmann, W. (ORCID:000000019964249X)","Horisberger, R. (ORCID:0000000255941321)","Ingram, Q. (ORCID:000000029576055X)","Kaestli, H. C. (ORCID:0000000319797331)","Kotlinski, D. (ORCID:0000000153334918)","Lange, C. (ORCID:0000000236323157)","Missiroli, M. (ORCID:0000000217801344)","Noehte, L. (ORCID:0000000161257203)","Rohe, T. (ORCID:0009000561887754)","Aarrestad, T. K. (ORCID:000000027671243X)","Androsov, K. (ORCID:0000000326946542)","Backhaus, M. (ORCID:0000000258882304)","Calandri, A. (ORCID:0000000177740099)","Cazzaniga, C. (ORCID:0000000300017657)","Datta, K. (ORCID:0000000266740015)","De Cosa, A. (ORCID:0000000325332856)","Dissertori, G. (ORCID:0000000245492569)","Dittmar, M.","Donegà, M. (ORCID:0000000198300412)","Eble, F. (ORCID:0009000206383447)","Galli, M. (ORCID:0000000294084756)","Gedia, K. (ORCID:0009000609147684)","Glessgen, F. (ORCID:0000000153091960)","Grab, C. (ORCID:0000000261823380)","Hits, D. (ORCID:0000000231356427)","Lustermann, W. (ORCID:0000000349702217)","Lyon, A. -M. (ORCID:0009000413936577)","Manzoni, R. A. (ORCID:0000000275845038)","Marchegiani, M. (ORCID:0000000203898640)","Marchese, L. (ORCID:0000000166278716)","Martin Perez, C. (ORCID:0000000315816152)","Mascellani, A. (ORCID:0000000163625356)","Nessi-Tedaldi, F. (ORCID:0000000247217966)","Pauss, F. (ORCID:0000000237524639)","Perovic, V. (ORCID:0009000285590531)","Pigazzini, S. (ORCID:0000000280464344)","Ratti, M. G. (ORCID:0000000317777855)","Reichmann, M. (ORCID:0000000262205496)","Reissel, C. (ORCID:0000000170801119)","Reitenspiess, T. (ORCID:0000000222490835)","Ristic, B. (ORCID:0000000286101130)","Riti, F. (ORCID:0000000214669077)","Ruini, D.","Sanz Becerra, D. A. (ORCID:0000000266104019)","Seidita, R. (ORCID:0000000235336191)","Steggemann, J. (ORCID:0000000344205510)","Valsecchi, D. (ORCID:0000000185878266)","Wallny, R. (ORCID:0000000180381613)","Amsler, C. (ORCID:000000027695501X)","Bärtschi, P. (ORCID:0000000288426027)","Botta, C. (ORCID:000000028072795X)","Brzhechko, D.","Canelli, M. F. (ORCID:0000000163612117)","Cormier, K. (ORCID:0000000178733579)","Del Burgo, R.","Heikkilä, J. K. (ORCID:0000000205381469)","Huwiler, M. (ORCID:0000000298065907)","Jin, W. (ORCID:0009000989767702)","Jofrehei, A. (ORCID:0000000289925426)","Kilminster, B. (ORCID:0000000266570407)","Leontsinis, S. (ORCID:0000000275616091)","Liechti, S. P. (ORCID:0000000211921628)","Macchiolo, A. (ORCID:0000000301996957)","Meiring, P. (ORCID:0009000194804039)","Mikuni, V. M. (ORCID:0000000215792421)","Molinatti, U. (ORCID:0000000292353406)","Neutelings, I. (ORCID:0009000264731403)","Reimers, A. (ORCID:0000000294382059)","Robmann, P.","Sanchez Cruz, S. (ORCID:000000029991195X)","Schweiger, K. (ORCID:0000000258463919)","Senger, M. (ORCID:0000000219925711)","Takahashi, Y. (ORCID:0000000151842265)","Adloff, C.","Kuo, C. M.","Lin, W.","Rout, P. K. (ORCID:0000000181496180)","Tiwari, P. C. (ORCID:0000000236673843)","Yu, S. S. (ORCID:0000000260118516)","Ceard, L.","Chao, Y. (ORCID:000000025976318X)","Chen, K. F. (ORCID:0000000313043782)","Chen, P. s.","Chen, Z. g.","Hou, W. -S. (ORCID:0000000242605118)","Hsu, T. h.","Kao, Y. w.","Khurana, R.","Kole, G. (ORCID:0000000232851497)","Li, Y. y. (ORCID:000000033598556X)","Lu, R. -S. (ORCID:0000000168281695)","Paganis, E. (ORCID:0000000219508993)","Psallidas, A.","Su, X. f.","Thomas-Wilsker, J. (ORCID:0000000312934153)","Wu, H. y.","Yazgan, E. (ORCID:0000000157327950)","Asawatangtrakuldee, C. (ORCID:0000000322347219)","Srimanobhas, N. (ORCID:0000000335632959)","Wachirapusitanand, V. (ORCID:0000000182515160)","Agyel, D. (ORCID:0000000217978844)","Boran, F. (ORCID:000000023611390X)","Demiroglu, Z. S. (ORCID:0000000179777127)","Dolek, F. (ORCID:0000000170925517)","Dumanoglu, I. (ORCID:0000000200395503)","Eskut, E. (ORCID:0000000183283314)","Guler, Y. (ORCID:0000000175985252)","Gurpinar Guler, E. (ORCID:0000000261720285)","Isik, C. (ORCID:0000000279770811)","Kara, O.","Kayis Topaksu, A. (ORCID:0000000231694573)","Kiminsu, U. (ORCID:0000000169407800)","Onengut, G. (ORCID:0000000262744254)","Ozdemir, K. (ORCID:0000000201031488)","Polatoz, A. (ORCID:0000000195160821)","Tali, B. (ORCID:0000000274475602)","Tok, U. G. (ORCID:000000023039021X)","Turkcapar, S. (ORCID:0000000326080494)","Uslan, E. (ORCID:0000000224720526)","Zorbakir, I. S. (ORCID:0000000259622221)","Yalvac, M. (ORCID:0000000349159162)","Akgun, B. (ORCID:0000000188883562)","Atakisi, I. O. (ORCID:0000000292317464)","Gülmez, E. (ORCID:000000026353518X)","Kaya, M. (ORCID:0000000328904493)","Kaya, O. (ORCID:0000000284853822)","Tekten, S. (ORCID:0000000296245525)","Cakir, A. (ORCID:0000000286277689)","Cankocak, K. (ORCID:0000000238293481)","Komurcu, Y. (ORCID:000000027084030X)","Sen, S. (ORCID:0000000173251087)","Aydilek, O. (ORCID:0000000225676766)","Cerci, S. (ORCID:0000000287026152)","Epshteyn, V. (ORCID:0000000288636374)","Hacisahinoglu, B. (ORCID:0000000226461230)","Hos, I. (ORCID:0000000276781101)","Isildak, B. (ORCID:0000000202835234)","Kaynak, B. (ORCID:0000000338572496)","Ozkorucuklu, S. (ORCID:0000000151539266)","Potok, O. (ORCID:0009000511416401)","Sert, H. (ORCID:0000000307166727)","Simsek, C. (ORCID:0000000273598635)","Sunar Cerci, D. (ORCID:0000000254124688)","Zorbilmez, C. (ORCID:000000025199061X)","Boyaryntsev, A. (ORCID:0000000192520430)","Grynyov, B. (ORCID:0000000317000173)","Levchuk, L. (ORCID:0000000158897410)","Anthony, D. (ORCID:0000000250168886)","Brooke, J. J. (ORCID:0000000325290684)","Bundock, A. (ORCID:0000000229166456)","Bury, F. (ORCID:0000000230772090)","Clement, E. (ORCID:0000000334124004)","Cussans, D. (ORCID:0000000181920826)","Flacher, H. (ORCID:000000025371941X)","Glowacki, M.","Goldstein, J. (ORCID:0000000315916014)","Heath, H. F. (ORCID:0000000165769740)","Kreczko, L. (ORCID:0000000323418330)","Krikler, B. (ORCID:0000000197120030)","Paramesvaran, S. (ORCID:0000000347488296)","Seif El Nasr-Storey, S.","Smith, V. J. (ORCID:0000000345432547)","Stylianou, N. (ORCID:0000000201136829)","Walkingshaw Pass, K.","White, R. (ORCID:000000015793526X)","Ball, A. H.","Bell, K. W. (ORCID:0000000222945860)","Belyaev, A. (ORCID:0000000217334408)","Brew, C. (ORCID:0000000165958365)","Brown, R. M. (ORCID:0000000267280153)","Cockerill, D. J.A. (ORCID:0000000324275765)","Cooke, C. (ORCID:0000000337304895)","Ellis, K. V.","Harder, K. (ORCID:0000000229656973)","Harper, S. (ORCID:0000000156372653)","Holmberg, M. -L. (ORCID:0000000294735985)","Linacre, J. (ORCID:000000017555652X)","Manolopoulos, K.","Newbold, D. M. (ORCID:0000000290159634)","Olaiya, E.","Petyt, D. (ORCID:0000000223694469)","Reis, T. (ORCID:0000000337036624)","Salvi, G. (ORCID:0000000227871063)","Schuh, T.","Shepherd-Themistocleous, C. H. (ORCID:0000000305516949)","Tomalin, I. R. (ORCID:0000000324194439)","Williams, T. (ORCID:0000000287244678)","Bainbridge, R. (ORCID:0000000191574832)","Bloch, P. (ORCID:000000016716979X)","Brown, C. E. (ORCID:0000000277666615)","Buchmuller, O.","Cacchio, V.","Carrillo Montoya, C. A. (ORCID:0000000262456535)","Chahal, G. S. (ORCID:0000000303204407)","Colling, D. (ORCID:0000000199594977)","Dancu, J. S.","Dauncey, P. (ORCID:0000000168399466)","Davies, G. (ORCID:0000000186685001)","Davies, J.","Della Negra, M. (ORCID:0000000164978081)","Fayer, S.","Fedi, G. (ORCID:0000000191012573)","Hall, G. (ORCID:0000000262998385)","Hassanshahi, M. H. (ORCID:0000000166344517)","Howard, A.","Iles, G. (ORCID:0000000212195859)","Knight, M. (ORCID:0009000811674816)","Langford, J. (ORCID:0000000239314379)","Lyons, L. (ORCID:0000000179459188)","Magnan, A. -M. (ORCID:0000000242661646)","Malik, S.","Martelli, A. (ORCID:0000000335302255)","Mieskolainen, M. (ORCID:0000000188937401)","Nash, J. (ORCID:0000000306076519)","Pesaresi, M.","Radburn-Smith, B. C. (ORCID:0000000314889675)","Richards, A.","Rose, A. (ORCID:000000029773550X)","Seez, C. (ORCID:0000000216375494)","Shukla, R. (ORCID:0000000156705497)","Tapper, A. (ORCID:000000034543864X)","Uchida, K. (ORCID:0000000307422276)","Uttley, G. P. (ORCID:0009000262486467)","Vage, L. H.","Virdee, T. (ORCID:0000000174292198)","Vojinovic, M. (ORCID:0000000186652808)","Wardle, N. (ORCID:0000000313443356)","Winterbottom, D. (ORCID:000000034582150X)","Coldham, K.","Cole, J. E. (ORCID:0000000156387599)","Khan, A.","Kyberd, P. (ORCID:0000000273537090)","Reid, I. D. (ORCID:000000029235779X)","Abdullin, S. (ORCID:0000000348856935)","Brinkerhoff, A. (ORCID:0000000248197995)","Caraway, B. (ORCID:0000000260882020)","Dittmann, J. (ORCID:0000000219113158)","Hatakeyama, K. (ORCID:0000000260122451)","Hiltbrand, J. (ORCID:0000000316915937)","Kanuganti, A. R. (ORCID:0000000207891200)","McMaster, B. (ORCID:0000000244940446)","Saunders, M. (ORCID:0000000315729075)","Sawant, S. (ORCID:0000000219817753)","Sutantawibul, C. (ORCID:0000000306000151)","Toms, M. (ORCID:0000000277033973)","Wilson, J. (ORCID:0000000256727394)","Bartek, R. (ORCID:0000000216862882)","Dominguez, A. (ORCID:0000000274205493)","Huerta Escamilla, C.","Simsek, A. E. (ORCID:0000000290742256)","Uniyal, R. (ORCID:0000000173456293)","Vargas Hernandez, A. M. (ORCID:0000000289117197)","Chudasama, R. (ORCID:0009000788486146)","Cooper, S. I. (ORCID:0000000246180313)","Gleyzer, S. V. (ORCID:0000000262228102)","Perez, C. U. (ORCID:0000000268612674)","Rumerio, P. (ORCID:0000000217025541)","Usai, E. (ORCID:0000000193232107)","West, C. (ORCID:0000000344602241)","Yi, R. (ORCID:0000000158181682)","Akpinar, A. (ORCID:0000000175106617)","Albert, A. (ORCID:0000000323699507)","Arcaro, D. (ORCID:0000000194578302)","Cosby, C. (ORCID:0000000303526561)","Demiragli, Z. (ORCID:000000018521737X)","Erice, C. (ORCID:0000000264693200)","Fontanesi, E. (ORCID:0000000206625904)","Gastler, D. (ORCID:0009000073076311)","Jeon, S. (ORCID:0000000312086940)","Rohlf, J. (ORCID:0000000164239799)","Salyer, K. (ORCID:0000000269571077)","Sperka, D. (ORCID:0000000246242019)","Spitzbart, D. (ORCID:0000000320252742)","Suarez, I. (ORCID:0000000253746995)","Tsatsos, A. (ORCID:0000000183108911)","Yuan, S. (ORCID:000000022029024X)","Benelli, G. (ORCID:0000000344618905)","Coubez, X.","Cutts, D. (ORCID:0000000310417099)","Hadley, M. (ORCID:0000000270684327)","Heintz, U. (ORCID:0000000275903058)","Hogan, J. M. (ORCID:0000000286043452)","Kwon, T. (ORCID:0000000195946277)","Landsberg, G. (ORCID:0000000241849380)","Lau, K. T. (ORCID:0000000313718575)","Li, D. (ORCID:0000000308908948)","Luo, J. (ORCID:0000000241088681)","Mondal, S. (ORCID:0000000301537590)","Narain, M. (ORCID:0000000278577403)","Pervan, N. (ORCID:0000000281538464)","Sagir, S. (ORCID:0000000226145860)","Simpson, F. (ORCID:0000000189449629)","Stamenkovic, M. (ORCID:0000000322510610)","Wong, W. Y.","Yan, X. (ORCID:0000000264260560)","Zhang, W.","Abbott, S. (ORCID:000000027791894X)","Bonilla, J. (ORCID:0000000269826121)","Brainerd, C. (ORCID:0000000295521006)","Breedon, R. (ORCID:0000000153147581)","Calderon De La Barca Sanchez, M. (ORCID:0000000198354349)","Chertok, M. (ORCID:0000000227296273)","Citron, M. (ORCID:0000000162508465)","Conway, J. (ORCID:0000000327195779)","Cox, P. T. (ORCID:0000000312182828)","Erbacher, R. (ORCID:0000000171708944)","Jensen, F. (ORCID:0000000337699081)","Kukral, O. (ORCID:0009000738586659)","Mocellin, G. (ORCID:0000000215313478)","Mulhearn, M. (ORCID:0000000311456436)","Pellett, D. (ORCID:0009000003898571)","Wei, W. (ORCID:0000000342211802)","Yao, Y. (ORCID:0000000259904245)","Zhang, F. (ORCID:0000000261582468)","Bachtis, M. (ORCID:0000000331100701)","Cousins, R. (ORCID:0000000259630467)","Datta, A. (ORCID:0000000326957719)","Hauser, J. (ORCID:0000000297814873)","Ignatenko, M. (ORCID:0000000182585863)","Iqbal, M. A. (ORCID:0000000186641949)","Lam, T. (ORCID:0000000208627348)","Manca, E. (ORCID:000000018946655X)","Nash, W. A. (ORCID:0009000436338967)","Saltzberg, D. (ORCID:0000000306589146)","Stone, B. (ORCID:0000000293975231)","Valuev, V. (ORCID:0000000207836703)","Clare, R. (ORCID:0000000332935305)","Gordon, M.","Hanson, G. (ORCID:0000000272734009)","Si, W. (ORCID:0000000258796326)","Wimpenny, S. (ORCID:0000000305054908)","Branson, J. G. (ORCID:0009000956834614)","Cittolin, S. (ORCID:0000000209229587)","Cooperstein, S. (ORCID:0000000302623132)","Diaz, D. (ORCID:0000000168341176)","Duarte, J. (ORCID:0000000250767096)","Gerosa, R. (ORCID:0000000183593734)","Giannini, L. (ORCID:0000000256217706)","Guiang, J. (ORCID:0000000221558260)","Kansal, R. (ORCID:0000000324451060)","Krutelyov, V. (ORCID:0000000213860232)","Lee, R. (ORCID:0009000046340797)","Letts, J. (ORCID:0000000201561251)","Masciovecchio, M. (ORCID:0000000282009425)","Mokhtar, F. (ORCID:0000000325333402)","Pieri, M. (ORCID:0000000333036301)","Quinnan, M. (ORCID:0000000329025597)","Sathia Narayanan, B. V. (ORCID:0000000320765126)","Sharma, V. (ORCID:0000000317368795)","Tadel, M. (ORCID:0000000188000045)","Vourliotis, E. (ORCID:0000000222700492)","Würthwein, F. (ORCID:0000000159126124)","Xiang, Y. (ORCID:0000000341127457)","Yagil, A. (ORCID:0000000261084004)","Barzdukas, A. (ORCID:0000000205183286)","Brennan, L. (ORCID:0000000306361846)","Campagnari, C. (ORCID:0000000289788177)","Collura, G. (ORCID:0000000241601844)","Dorsett, A. (ORCID:0000000153493011)","Incandela, J. (ORCID:0000000198502030)","Kilpatrick, M. (ORCID:0000000226020566)","Kim, J. (ORCID:0000000220726082)","Li, A. J. (ORCID:000000023895717X)","Masterson, P. (ORCID:0000000268907624)","Mei, H. (ORCID:0000000298388327)","Oshiro, M. (ORCID:0000000222007516)","Richman, J. (ORCID:000000025189146X)","Sarica, U. (ORCID:0000000215574424)","Schmitz, R. (ORCID:000000032328677X)","Setti, F. (ORCID:0000000198007822)","Sheplock, J. (ORCID:0000000287521946)","Stuart, D. (ORCID:0000000249650747)","Wang, S. (ORCID:0000000178871728)","Bornheim, A. (ORCID:0000000201280871)","Cerri, O.","Latorre, A.","Lawhorn, J. M. (ORCID:0000000285979259)","Mao, J. (ORCID:0009000289889987)","Newman, H. B. (ORCID:0000000309641480)","Nguyen, T. Q. (ORCID:0000000339545131)","Spiropulu, M. (ORCID:0000000181727081)","Vlimant, J. R. (ORCID:000000029705101X)","Wang, C. (ORCID:0000000201177196)","Xie, S. (ORCID:0000000325095731)","Zhu, R. Y. (ORCID:0000000330917461)","Alison, J. (ORCID:0000000308431641)","An, S. (ORCID:0000000297401622)","Andrews, M. B. (ORCID:0000000155374518)","Bryant, P. (ORCID:0000000181456322)","Dutta, V. (ORCID:000000015958829X)","Ferguson, T. (ORCID:0000000158223731)","Harilal, A. (ORCID:0000000196251987)","Liu, C. (ORCID:0000000231007294)","Mudholkar, T. (ORCID:0000000293528140)","Murthy, S. (ORCID:0000000212779168)","Paulini, M. (ORCID:0000000267145787)","Roberts, A. (ORCID:0000000251390550)","Sanchez, A. (ORCID:0000000254316989)","Terrill, W. (ORCID:0000000220788419)","Cumalat, J. P. (ORCID:0000000260325857)","Ford, W. T. (ORCID:0000000187036943)","Hassani, A. (ORCID:0009000843227682)","Karathanasis, G. (ORCID:0000000151155828)","MacDonald, E.","Manganelli, N. (ORCID:0000000233984531)","Marini, F. (ORCID:0000000223746433)","Perloff, A. (ORCID:0000000152300396)","Savard, C. (ORCID:0009000075070570)","Schonbeck, N. (ORCID:0009000834307269)","Stenson, K. (ORCID:000000034888205X)","Ulmer, K. A. (ORCID:0000000168759177)","Wagner, S. R. (ORCID:0000000292695772)","Zipper, N. (ORCID:0000000248058020)","Alexander, J. (ORCID:000000022046342X)","Bright-Thonney, S. (ORCID:0000000318897824)","Chen, X. (ORCID:0000000281571328)","Cranshaw, D. J. (ORCID:0000000274982129)","Fan, J. (ORCID:0009000337289960)","Fan, X. (ORCID:0000000320670127)","Gadkari, D. (ORCID:0000000266258085)","Hogan, S. (ORCID:0000000336572281)","Monroy, J. (ORCID:0000000273944710)","Patterson, J. R. (ORCID:0000000238153649)","Reichert, J. (ORCID:0000000321108021)","Reid, M. (ORCID:0000000177061416)","Ryd, A. (ORCID:0000000158491912)","Thom, J. (ORCID:0000000248708468)","Wittich, P. (ORCID:0000000274012181)","Zou, R. (ORCID:0000000205421264)","Albrow, M. (ORCID:0000000173294925)","Alyari, M. (ORCID:0000000192683360)","Amram, O. (ORCID:0000000237653123)","Apollinari, G. (ORCID:0000000252125396)","Apresyan, A. (ORCID:0000000261860130)","Bauerdick, L. A.T. (ORCID:0000000271709012)","Berry, D. (ORCID:0000000253838320)","Berryhill, J. (ORCID:0000000281243033)","Bhat, P. C. (ORCID:0000000333709246)","Burkett, K. (ORCID:0000000222844744)","Butler, J. N. (ORCID:0000000207458618)","Canepa, A. (ORCID:0000000340453998)","Cerati, G. B. (ORCID:0000000335480262)","Cheung, H. W.K. (ORCID:0000000163899357)","Chlebana, F. (ORCID:0000000287628559)","Cummings, G. (ORCID:0000000280457806)","Dickinson, J. (ORCID:0000000154505328)","Dutta, I. (ORCID:0000000309534503)","Elvira, V. D. (ORCID:0000000344464395)","Feng, Y. (ORCID:000000032812338X)","Freeman, J. (ORCID:0000000234155671)","Gandrakota, A. (ORCID:0000000348603233)","Gecse, Z. (ORCID:0009000965613418)","Gray, L. (ORCID:0000000264084288)","Green, D.","Grummer, A. (ORCID:0000000327521183)","Grünendahl, S. (ORCID:0000000248570294)","Guerrero, D. (ORCID:0000000155525400)","Gutsche, O. (ORCID:0000000280159622)","Harris, R. M. (ORCID:0000000314613425)","Heller, R. (ORCID:0000000273686723)","Herwig, T. C. (ORCID:0000000242806382)","Hirschauer, J. (ORCID:0000000282440805)","Horyn, L. (ORCID:0000000295124932)","Jayatilaka, B. (ORCID:0000000179125612)","Jindariani, S. (ORCID:0009000070466533)","Johnson, M. (ORCID:0000000177578458)","Joshi, U. (ORCID:0000000183750760)","Klijnsma, T. (ORCID:0000000316756040)","Klima, B. (ORCID:0000000236917625)","Kwok, K. H.M. (ORCID:0000000286936146)","Lammel, S. (ORCID:000000030027635X)","Lincoln, D. (ORCID:0000000205997407)","Lipton, R. (ORCID:0000000266657289)","Liu, T. (ORCID:0009000765225605)","Madrid, C. (ORCID:0000000333012246)","Maeshima, K. (ORCID:000900002822897X)","Mantilla, C. (ORCID:0000000201775903)","Mason, D. (ORCID:0000000200745390)","McBride, P. (ORCID:0000000161597750)","Merkel, P. (ORCID:0000000347275442)","Mrenna, S. (ORCID:000000018731160X)","Nahn, S. (ORCID:0000000289490178)","Ngadiuba, J. (ORCID:0000000200552935)","Noonan, D. (ORCID:0000000239323769)","Papadimitriou, V. (ORCID:0000000206907186)","Pastika, N. (ORCID:0009000609936245)","Pedro, K. (ORCID:0000000322609151)","Pena, C. (ORCID:0000000245007930)","Ravera, F. (ORCID:0000000336320287)","Reinsvold Hall, A. (ORCID:0000000316538553)","Ristori, L. (ORCID:0000000319502492)","Sexton-Kennedy, E. (ORCID:0000000191711980)","Smith, N. (ORCID:0000000203243054)","Soha, A. (ORCID:0000000259681192)","Spiegel, L. (ORCID:0000000196721328)","Stoynev, S. (ORCID:0000000345637702)","Strait, J. (ORCID:0000000272338348)","Taylor, L. (ORCID:0000000265842538)","Tkaczyk, S. (ORCID:0000000176425185)","Tran, N. V. (ORCID:0000000284406854)","Uplegger, L. (ORCID:000000029202803X)","Vaandering, E. W. (ORCID:0000000332076950)","Zoi, I. (ORCID:0000000257389446)","Aruta, C. (ORCID:0000000195243264)","Avery, P. (ORCID:000000030609627X)","Bourilkov, D. (ORCID:0000000302604935)","Cadamuro, L. (ORCID:000000018789610X)","Chang, P. (ORCID:0000000220956320)","Cherepanov, V. (ORCID:0000000267484850)","Field, R. D.","Koenig, E. (ORCID:0000000208847922)","Kolosova, M. (ORCID:0000000258382158)","Konigsberg, J. (ORCID:0000000168508765)","Korytov, A. (ORCID:0000000192393398)","Lo, K. H.","Matchev, K. (ORCID:0000000341829096)","Menendez, N. (ORCID:0000000232953194)","Mitselmakher, G. (ORCID:0000000157453658)","Muthirakalayil Madhu, A. (ORCID:0000000312093032)","Rawal, N. (ORCID:0000000277343170)","Rosenzweig, D. (ORCID:0000000236875189)","Rosenzweig, S. (ORCID:0000000256131507)","Shi, K. (ORCID:0000000224750055)","Wang, J. (ORCID:0000000338794873)","Adams, T. (ORCID:0000000180495143)","Al Kadhim, A. (ORCID:0000000334908407)","Askew, A. (ORCID:0000000271721396)","Bower, N. (ORCID:0000000187750696)","Habibullah, R. (ORCID:0000000231618300)","Hagopian, V. (ORCID:0000000237911989)","Hashmi, R. (ORCID:0000000254398224)","Kim, R. S. (ORCID:000000028645186X)","Kim, S. (ORCID:0000000323815117)","Kolberg, T. (ORCID:0000000202116109)","Martinez, G.","Prosper, H. (ORCID:0000000240772713)","Prova, P. R.","Viazlo, O. (ORCID:0000000229570301)","Wulansatiti, M. (ORCID:0000000167943079)","Yohay, R. (ORCID:0000000201249065)","Zhang, J.","Alsufyani, B.","Baarmand, M. M. (ORCID:0000000297928619)","Butalla, S. (ORCID:0000000334239581)","Elkafrawy, T. (ORCID:0000000199306445)","Hohlmann, M. (ORCID:0000000345789319)","Kumar Verma, R. (ORCID:000000028264156X)","Rahmani, M.","Adams, M. R. (ORCID:0000000184933737)","Bennett, C.","Cavanaugh, R. (ORCID:0000000171693420)","Dittmer, S. (ORCID:0000000253599614)","Escobar Franco, R. (ORCID:0000000320905010)","Evdokimov, O. (ORCID:0000000212508931)","Gerber, C. E. (ORCID:0000000281169021)","Hofman, D. J. (ORCID:0000000224493845)","Lee, J. h. (ORCID:0000000255744192)","Lemos, D. S. (ORCID:0000000319828978)","Merrit, A. H. (ORCID:0000000339226464)","Mills, C. (ORCID:0000000180354818)","Nanda, S. (ORCID:0000000305504083)","Oh, G. (ORCID:0000000307441063)","Ozek, B. (ORCID:0009000025701100)","Pilipovic, D. (ORCID:0000000242102780)","Roy, T. (ORCID:0000000172997653)","Rudrabhatla, S. (ORCID:0000000273664225)","Tonjes, M. B. (ORCID:0000000226179315)","Varelas, N. (ORCID:0000000293975514)","Wang, X. (ORCID:0000000327928493)","Ye, Z. (ORCID:0000000160916772)","Yoo, J. (ORCID:0000000238261332)","Alhusseini, M. (ORCID:000000029239470X)","Blend, D.","Dilsiz, K. (ORCID:0000000301383368)","Emediato, L. (ORCID:0000000230215032)","Karaman, G. (ORCID:0000000187399648)","Köseyan, O. K. (ORCID:0000000190403468)","Merlo, J. -P.","Mestvirishvili, A. (ORCID:0000000285915247)","Nachtman, J. (ORCID:0000000339513420)","Neogi, O.","Ogul, H. (ORCID:0000000251212893)","Onel, Y. (ORCID:0000000281417769)","Penzo, A. (ORCID:000000033436047X)","Snyder, C.","Tiras, E. (ORCID:0000000256287464)","Blumenfeld, B. (ORCID:0000000311501735)","Corcodilos, L. (ORCID:0000000167513108)","Davis, J. (ORCID:0000000164886195)","Gritsan, A. V. (ORCID:0000000235457970)","Kang, L. (ORCID:0000000209414512)","Kyriacou, S. (ORCID:0000000292544368)","Maksimovic, P. (ORCID:0000000223582168)","Roguljic, M. (ORCID:0000000153113007)","Roskes, J. (ORCID:0000000187610490)","Sekhar, S. (ORCID:0000000283077518)","Swartz, M. (ORCID:0000000202865070)","Vámi, T. Á. (ORCID:0000000209599211)","Abreu, A. (ORCID:0000000290002215)","Alcerro Alcerro, L. F. (ORCID:0000000157705077)","Anguiano, J. (ORCID:000000027349350X)","Baringer, P. (ORCID:0000000236918388)","Bean, A. (ORCID:0000000159678674)","Flowers, Z. (ORCID:0000000183142052)","Grove, D.","King, J. (ORCID:0000000196529854)","Krintiras, G. (ORCID:0000000203807577)","Lazarovits, M. (ORCID:0000000255653119)","Le Mahieu, C. (ORCID:0000000159241130)","Lindsey, C.","Marquez, J. (ORCID:0000000338874048)","Minafra, N. (ORCID:0000000340021888)","Murray, M. (ORCID:0000000172194818)","Nickel, M. (ORCID:0000000304191329)","Pitt, M. (ORCID:0000000324615985)","Popescu, S. (ORCID:0000000203452171)","Rogan, C. (ORCID:0000000241664503)","Royon, C. (ORCID:0000000276729709)","Salvatico, R. (ORCID:0000000227510567)","Sanders, S. (ORCID:0000000294916022)","Smith, C. (ORCID:0000000305050528)","Wang, Q. (ORCID:0000000338043244)","Wilson, G. (ORCID:0000000309174763)","Allmond, B. (ORCID:0000000255937736)","Ivanov, A. (ORCID:0000000292705643)","Kaadze, K. (ORCID:000000030571163X)","Kalogeropoulos, A. (ORCID:0000000334440314)","Kim, D.","Maravin, Y. (ORCID:0000000294490666)","Nam, K.","Natoli, J. (ORCID:0000000166753564)","Roy, D. (ORCID:0000000286597762)","Sorrentino, G. (ORCID:000000022253819X)","Rebassoo, F. (ORCID:0000000189349329)","Wright, D. (ORCID:0000000235863354)","Adams, E. (ORCID:0000000328092683)","Baden, A. (ORCID:0000000261593861)","Baron, O.","Belloni, A. (ORCID:000000021727656X)","Bethani, A. (ORCID:0000000281507043)","Chen, Y. M. (ORCID:0000000257954783)","Eno, S. C. (ORCID:0000000342822515)","Hadley, N. J. (ORCID:0000000212096471)","Jabeen, S. (ORCID:0000000201557383)","Kellogg, R. G. (ORCID:000000019235521X)","Koeth, T. (ORCID:0000000200820514)","Lai, Y. (ORCID:0000000277958693)","Lascio, S. (ORCID:0000000185795874)","Mignerey, A. C. (ORCID:0000000151646969)","Nabili, S. (ORCID:0000000268931018)","Palmer, C. (ORCID:0000000258015737)","Papageorgakis, C. (ORCID:0000000345480346)","Paranjpe, M. M.","Wang, L. (ORCID:0000000334430626)","Wong, K. (ORCID:0000000296981354)","Bendavid, J. (ORCID:0000000279071789)","Busza, W. (ORCID:0000000238319071)","Cali, I. A. (ORCID:0000000228223375)","Chen, Y. (ORCID:0000000325826469)","D\'Alfonso, M. (ORCID:0000000274097904)","Eysermans, J. (ORCID:0000000164837123)","Freer, C. (ORCID:0000000279674635)","Gomez-Ceballos, G. (ORCID:0000000316839460)","Goncharov, M.","Harris, P.","Hoang, D.","Kovalskyi, D. (ORCID:000000026923293X)","Krupa, J. (ORCID:0000000307857552)","Lavezzo, L. (ORCID:0000000213649920)","Lee, Y. -J. (ORCID:0000000325937767)","Long, K. (ORCID:0000000306641653)","Mironov, C. (ORCID:0000000285992437)","Paus, C. (ORCID:0000000260474211)","Rankin, D. (ORCID:0000000184119620)","Roland, C. (ORCID:0000000273125854)","Roland, G. (ORCID:0000000189832169)","Rothman, S. (ORCID:0000000213779119)","Shi, Z. (ORCID:0000000154988825)","Stephans, G. S.F. (ORCID:0000000331064894)","Wang, J.","Wang, Z. (ORCID:0000000230743767)","Wyslouch, B. (ORCID:0000000336810649)","Yang, T. J. (ORCID:0000000343174660)","Crossman, B. (ORCID:0000000227005085)","Joshi, B. M. (ORCID:0000000247230968)","Kapsiak, C. (ORCID:0009000877435316)","Krohn, M. (ORCID:0000000217112506)","Mahon, D. (ORCID:0000000226405941)","Mans, J. (ORCID:0000000328401087)","Marzocchi, B. (ORCID:0000000166876214)","Pandey, S. (ORCID:0000000304406019)","Revering, M. (ORCID:0000000150510293)","Rusack, R. (ORCID:000000027633749X)","Saradhy, R. (ORCID:000000018720293X)","Schroeder, N. (ORCID:0000000283366141)","Strobbe, N. (ORCID:0000000188358282)","Wadud, M. A. (ORCID:0000000206530761)","Cremaldi, L. M. (ORCID:0000000155507827)","Bloom, K. (ORCID:0000000242728900)","Bryson, M.","Claes, D. R. (ORCID:0000000341988919)","Fangmeier, C. (ORCID:0000000259988047)","Golf, F. (ORCID:0000000335679351)","Haza, G. (ORCID:0009000113263956)","Hossain, J. (ORCID:0000000151447919)","Joo, C. (ORCID:0000000256614330)","Kravchenko, I. (ORCID:0000000300680395)","Reed, I. (ORCID:0000000218238856)","Siado, J. E. (ORCID:000000029757470X)","Tabb, W. (ORCID:0000000295424847)","Vagnerini, A. (ORCID:0000000187305031)","Wightman, A. (ORCID:0000000166515320)","Yan, F. (ORCID:0000000240420785)","Yu, D. (ORCID:0000000159215231)","Zecchinelli, A. G. (ORCID:000000018986278X)","Agarwal, G. (ORCID:0000000225935297)","Bandyopadhyay, H. (ORCID:0000000197264915)","Hay, L. (ORCID:0000000270867641)","Iashvili, I. (ORCID:0000000319485901)","Kharchilava, A. (ORCID:0000000239130326)","McLean, C. (ORCID:0000000274504805)","Morris, M. (ORCID:0000000228306488)","Nguyen, D. (ORCID:0000000251858504)","Rappoccio, S. (ORCID:0000000254492560)","Rejeb Sfar, H.","Williams, A. (ORCID:0000000340556532)","Alverson, G. (ORCID:0000000166511178)","Barberis, E. (ORCID:0000000264175913)","Haddad, Y. (ORCID:0000000349167752)","Han, Y. (ORCID:0000000235106505)","Krishna, A. (ORCID:000000024319818X)","Li, J. (ORCID:0000000152452074)","Lu, M. (ORCID:0000000269993931)","Madigan, G. (ORCID:0000000187965865)","Morse, D. M. (ORCID:0000000331632169)","Nguyen, V. (ORCID:0000000312789208)","Orimoto, T. (ORCID:0000000283883341)","Parker, A. (ORCID:0000000294213335)","Skinnari, L. (ORCID:0000000220196755)","Tishelman-Charny, A. (ORCID:0000000273325098)","Wang, B. (ORCID:0000000307962475)","Wood, D. (ORCID:000000026477801X)","Bhattacharya, S. (ORCID:0000000205266161)","Bueghly, J.","Chen, Z. (ORCID:0000000345216086)","Hahn, K. A. (ORCID:0000000178921676)","Liu, Y. (ORCID:0000000255881760)","Miao, Y. (ORCID:0000000220232082)","Monk, D. G. (ORCID:0000000283771999)","Schmitt, M. H. (ORCID:0000000308143578)","Taliercio, A. (ORCID:0000000251196280)","Velasco, M.","Band, R. (ORCID:0000000348730523)","Bucci, R.","Castells, S. (ORCID:0000000326183856)","Cremonesi, M.","Das, A. (ORCID:0000000191159698)","Goldouzian, R. (ORCID:000000020295249X)","Hildreth, M. (ORCID:0000000244543934)","Ho, K. W. (ORCID:0000000322297223)","Hurtado Anampa, K. (ORCID:0000000297793566)","Jessop, C. (ORCID:0000000268853611)","Lannon, K. (ORCID:0000000297060098)","Lawrence, J. (ORCID:0000000163267210)","Loukas, N. (ORCID:0000000300496918)","Lutton, L. (ORCID:0000000232124505)","Mariano, J.","Marinelli, N.","Mcalister, I.","McCauley, T. (ORCID:0000000165898286)","Mcgrady, C. (ORCID:0000000288212045)","Mohrman, K. (ORCID:0009000729400496)","Moore, C. (ORCID:0000000281404183)","Musienko, Y. (ORCID:0009000635451938)","Nelson, H. (ORCID:0000000155920785)","Osherson, M. (ORCID:0000000297609976)","Ruchti, R. (ORCID:0000000231511386)","Townsend, A. (ORCID:000000023696689X)","Wayne, M. (ORCID:0000000182046157)","Yockey, H.","Zarucki, M. (ORCID:0000000315105772)","Zygala, L. (ORCID:0000000196657282)","Basnet, A. (ORCID:0000000184600019)","Bylsma, B.","Carrigan, M. (ORCID:0000000305385854)","Durkin, L. S. (ORCID:0000000204771051)","Hill, C. (ORCID:0000000300590779)","Joyce, M. (ORCID:0000000311125880)","Lesauvage, A. (ORCID:0000000334377845)","Nunez Ornelas, M. (ORCID:0000000326637379)","Wei, K.","Winer, B. L. (ORCID:0000000199804698)","Yates, B. R. (ORCID:0000000173661318)","Addesa, F. M. (ORCID:0000000304845804)","Bouchamaoui, H. (ORCID:0000000297761935)","Das, P. (ORCID:0000000297701377)","Dezoort, G. (ORCID:0000000258900445)","Elmer, P. (ORCID:0000000168303356)","Frankenthal, A. (ORCID:0000000225835982)","Greenberg, B. (ORCID:0000000249221934)","Haubrich, N. (ORCID:0000000276258169)","Higginbotham, S. (ORCID:0000000244365461)","Kopp, G. (ORCID:0000000181600208)","Kwan, S. (ORCID:0000000253087707)","Lange, D. (ORCID:0000000290865184)","Loeliger, A. (ORCID:0000000250171487)","Marlow, D. (ORCID:0000000263951079)","Ojalvo, I. (ORCID:0000000314556272)","Olsen, J. (ORCID:0000000293615762)","Stickland, D. (ORCID:0000000347028820)","Tully, C. (ORCID:0000000167712174)","Malik, S. (ORCID:0000000263562655)","Bakshi, A. S. (ORCID:0000000228576883)","Barnes, V. E. (ORCID:0000000169393445)","Chandra, S. (ORCID:0009000074124071)","Chawla, R. (ORCID:0000000348026819)","Das, S. (ORCID:0000000167019265)","Gu, A. (ORCID:0000000262301138)","Gutay, L.","Jones, M. (ORCID:0000000299514583)","Jung, A. W. (ORCID:0000000330683212)","Kondratyev, D. (ORCID:0000000278742480)","Koshy, A. M.","Liu, M. (ORCID:000000019012395X)","Negro, G. (ORCID:0000000214182154)","Neumeister, N. (ORCID:0000000323561700)","Paspalaki, G. (ORCID:0000000168151065)","Piperov, S. (ORCID:0000000292667819)","Scheurer, V.","Schulte, J. F. (ORCID:000000034421680X)","Stojanovic, M. (ORCID:0000000215420855)","Thieman, J. (ORCID:0000000176846588)","Virdi, A. K. (ORCID:0000000208668932)","Wang, F. (ORCID:0000000283130809)","Xie, W. (ORCID:0000000314309191)","Dolen, J. (ORCID:0000000311413823)","Parashar, N. (ORCID:0009000917170413)","Pathak, A. (ORCID:0000000198612942)","Acosta, D. (ORCID:0000000153671738)","Baty, A. (ORCID:0000000153103466)","Carnahan, T. (ORCID:0000000174923201)","Dildick, S. (ORCID:0000000305544755)","Ecklund, K. M. (ORCID:0000000269764637)","Fernández Manteca, P. J. (ORCID:0000000325667496)","Freed, S.","Gardner, P.","Geurts, F. J.M. (ORCID:0000000328569090)","Kumar, A. (ORCID:0000000251806595)","Li, W. (ORCID:0000000341363409)","Miguel Colin, O. (ORCID:000000016612432X)","Padley, B. P. (ORCID:0000000235725701)","Redjimi, R.","Rotter, J. (ORCID:0009000940407407)","Yigitbasi, E. (ORCID:0000000295952623)","Zhang, Y. (ORCID:000000026812761X)","Bodek, A. (ORCID:0000000304090341)","de Barbaro, P. (ORCID:0000000255081827)","Demina, R. (ORCID:000000027852167X)","Dulemba, J. L. (ORCID:0000000298427015)","Fallon, C.","Garcia-Bellido, A. (ORCID:0000000214071972)","Hindrichs, O. (ORCID:0000000176405264)","Khukhunaishvili, A. (ORCID:0000000238341316)","Parygin, P. (ORCID:0000000167433781)","Popova, E. (ORCID:0000000175568969)","Taus, R. (ORCID:0000000251682932)","Van Onsem, G. P. (ORCID:0000000216642337)","Goulianos, K. (ORCID:0000000262309535)","Chiarito, B.","Chou, J. P. (ORCID:000000016315905X)","Gershtein, Y. (ORCID:0000000248715449)","Halkiadakis, E. (ORCID:0000000235847856)","Hart, A. (ORCID:0000000323496582)","Heindl, M. (ORCID:000000022831463X)","Jaroslawski, D. (ORCID:0000000324971242)","Karacheban, O. (ORCID:0000000227853762)","Laflotte, I. (ORCID:0000000273668090)","Lath, A. (ORCID:0000000302289760)","Montalvo, R.","Nash, K.","Routray, H. (ORCID:0000000296944625)","Salur, S. (ORCID:0000000249959285)","Schnetzer, S.","Somalwar, S. (ORCID:0000000288567401)","Stone, R. (ORCID:000000016229695X)","Thayil, S. A. (ORCID:0000000214690335)","Thomas, S.","Vora, J. (ORCID:0000000193252175)","Wang, H. (ORCID:0000000230270752)","Acharya, H.","Ally, D. (ORCID:0000000163045861)","Delannoy, A. G. (ORCID:0000000312526213)","Fiorendi, S. (ORCID:0000000332739419)","Holmes, T. (ORCID:0000000239595174)","Karunarathna, N. (ORCID:0000000234120508)","Lee, L. (ORCID:000000025590335X)","Nibigira, E. (ORCID:000000015821291X)","Spanier, S. (ORCID:0000000270494646)","Aebi, D. (ORCID:0000000171246911)","Ahmad, M. (ORCID:000000019933995X)","Bouhali, O. (ORCID:0000000171397322)","Dalchenko, M. (ORCID:000000020137136X)","Eusebi, R. (ORCID:0000000333226287)","Gilmore, J. (ORCID:0000000199110143)","Huang, T. (ORCID:0000000207935664)","Kamon, T. (ORCID:0000000155657868)","Kim, H. (ORCID:0000000349861728)","Luo, S. (ORCID:0000000331224245)","Malhotra, S.","Mueller, R. (ORCID:0000000267236689)","Overton, D. (ORCID:0009000906488151)","Rathjens, D. (ORCID:0000000284201488)","Safonov, A. (ORCID:0000000194975471)","Akchurin, N. (ORCID:0000000261274350)","Damgov, J. (ORCID:0000000338632567)","Hegde, V. (ORCID:0000000349522873)","Hussain, A. (ORCID:0000000162169002)","Kazhykarim, Y.","Lamichhane, K. (ORCID:0000000301527683)","Lee, S. W. (ORCID:0000000233888339)","Mankel, A. (ORCID:0000000221246312)","Mengke, T.","Muthumuni, S. (ORCID:0000000304326895)","Peltola, T. (ORCID:0000000247324008)","Volobouev, I. (ORCID:0000000220876128)","Whitbeck, A. (ORCID:0000000342245164)","Appelt, E. (ORCID:0000000333894584)","Greene, S.","Gurrola, A. (ORCID:0000000227934052)","Johns, W. (ORCID:0000000152918903)","Kunnawalkam Elayavalli, R. (ORCID:0000000292021516)","Melo, A. (ORCID:0000000334738858)","Romeo, F. (ORCID:0000000212976065)","Sheldon, P. (ORCID:0000000315505223)","Tuo, S. (ORCID:0000000161420429)","Velkovska, J. (ORCID:0000000314235241)","Viinikainen, J. (ORCID:0000000325304265)","Cardwell, B. (ORCID:0000000155530891)","Cox, B. (ORCID:0000000337524759)","Hakala, J. (ORCID:0000000195863316)","Hirosky, R. (ORCID:0000000303046330)","Ledovskoy, A. (ORCID:0000000348610943)","Li, A. (ORCID:000000024547116X)","Neu, C. (ORCID:0000000336448627)","Perez Lara, C. E. (ORCID:0000000301998864)","Karchin, P. E. (ORCID:0000000312843470)","Aravind, A.","Banerjee, S. (ORCID:000000017880922X)","Black, K. (ORCID:0000000173205080)","Bose, T. (ORCID:0000000180265380)","Dasu, S. (ORCID:0000000159939045)","De Bruyn, I. (ORCID:0000000317044360)","Everaerts, P. (ORCID:000000033848324X)","Galloni, C.","He, H. (ORCID:0009000839062037)","Herndon, M. (ORCID:0000000330431090)","Herve, A. (ORCID:0000000219592363)","Koraka, C. K. (ORCID:0000000245489992)","Lanaro, A.","Loveless, R. (ORCID:0000000225624405)","Madhusudanan Sreekala, J. (ORCID:000000032590763X)","Mallampalli, A. (ORCID:0000000237938516)","Mohammadi, A. (ORCID:000000018152927X)","Mondal, S.","Parida, G. (ORCID:0000000196654575)","Pinna, D.","Savin, A.","Shang, V. (ORCID:0000000214366092)","Sharma, V. (ORCID:0000000312871471)","Smith, W. H. (ORCID:0000000331950909)","Teague, D.","Tsoi, H. F. (ORCID:0000000225502184)","Vetens, W. (ORCID:0000000310581163)","Warden, A. (ORCID:0000000174637360)","Afanasiev, S. (ORCID:000900068766226X)","Andreev, V. (ORCID:0000000254926920)","Andreev, Yu (ORCID:0000000273979665)","Aushev, T. (ORCID:0000000263477055)","Azarkin, M. (ORCID:0000000274481447)","Babaev, A. (ORCID:0000000188763886)","Belyaev, A. (ORCID:0000000316921173)","Blinov, V.","Boos, E. (ORCID:0000000201935073)","Borshch, V. (ORCID:0000000254791982)","Budkouski, D. (ORCID:0000000220291007)","Chadeeva, M. (ORCID:0000000318141218)","Chekhovsky, V.","Danilov, M. (ORCID:0000000192275164)","Demiyanov, A. (ORCID:0000000324907195)","Dermenev, A. (ORCID:000000015619376X)","Dimova, T. (ORCID:0000000295600660)","Druzhkin, D. (ORCID:0000000175203329)","Dubinin, M. (ORCID:0000000277667175)","Dudko, L. (ORCID:0000000244623192)","Ershov, A. (ORCID:000000015779142X)","Gavrilov, G. (ORCID:0000000196897999)","Gavrilov, V. (ORCID:0000000296172928)","Gninenko, S. (ORCID:0000000164957619)","Golovtcov, V. (ORCID:0000000205950297)","Golubev, N. (ORCID:0000000295047754)","Golutvin, I. (ORCID:0009000765080215)","Gorbunov, I. (ORCID:0000000337776606)","Gribushin, A. (ORCID:0000000252524645)","Ivanov, Y. (ORCID:0000000151637632)","Kachanov, V. (ORCID:000000023062010X)","Kardapoltsev, L. (ORCID:0009000035019607)","Karjavine, V. (ORCID:0000000253263854)","Karneyeu, A. (ORCID:0000000199831004)","Kim, V. (ORCID:0000000171612133)","Kirakosyan, M.","Kirpichnikov, D. (ORCID:000000027177077X)","Kirsanov, M. (ORCID:0000000288796538)","Klyukhin, V. (ORCID:0000000285776531)","Kodolova, O. (ORCID:0000000313424251)","Konstantinov, D. (ORCID:0000000166737273)","Korenkov, V. (ORCID:0000000223427862)","Kozyrev, A. (ORCID:0000000306849235)","Krasnikov, N. (ORCID:0000000287176492)","Lanev, A. (ORCID:0000000182447321)","Levchenko, P. (ORCID:0000000349130538)","Lychkovskaya, N. (ORCID:0000000150849019)","Makarenko, V. (ORCID:0000000284068605)","Malakhov, A. (ORCID:0000000185698409)","Matveev, V. (ORCID:0000000227455908)","Murzin, V. (ORCID:0000000205544627)","Nikitenko, A. (ORCID:0000000219335383)","Obraztsov, S. (ORCID:0009000111522758)","Oreshkin, V. (ORCID:0000000347494995)","Palichik, V. (ORCID:0009000803561061)","Perelygin, V. (ORCID:0009000550394874)","Petrushanko, S. (ORCID:0000000302109061)","Polikarpov, S. (ORCID:000000016839928X)","Popov, V.","Radchenko, O. (ORCID:0000000171169469)","Savina, M. (ORCID:0000000290207384)","Savrin, V. (ORCID:0009000039732485)","Shalaev, V. (ORCID:0000000228936922)","Shmatov, S. (ORCID:0000000153548350)","Shulha, S. (ORCID:000000024265928X)","Skovpen, Y. (ORCID:0000000233160604)","Slabospitskii, S. (ORCID:0000000181782494)","Smirnov, V. (ORCID:0000000290499196)","Snigirev, A. (ORCID:0000000329526156)","Sosnov, D. (ORCID:0000000274528380)","Sulimov, V. (ORCID:0009000986456685)","Tcherniaev, E. (ORCID:0000000236850635)","Terkulov, A. (ORCID:0000000349853226)","Teryaev, O. (ORCID:0000000170029093)","Tlisova, I. (ORCID:0000000315522015)","Toropin, A. (ORCID:0000000221064041)","Uvarov, L. (ORCID:0000000276022527)","Uzunian, A. (ORCID:0000000270079020)","Vorobyev, A.","Voytishin, N. (ORCID:0000000165906266)","Yuldashev, B. S.","Zarubin, A. (ORCID:0000000219646106)","Zhizhin, I. (ORCID:0000000161719682)","Zhokin, A. (ORCID:0000000171785907)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY","muon spectrometers","particle identification methods","particle tracking detectors"],"article_type":"Accepted Manuscript","contributing_org":"CMS Collaboration","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"},{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)","Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 1748-0221","other_identifiers":["Journal ID: ISSN 1748-0221; oai:inspirehep.net:2710916"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2202830"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2202830"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2202830"}]}, {"osti_id":"2301797","title":"A Fluoride‐Rich Solid‐Like Electrolyte Stabilizing Lithium Metal Batteries","doi":"10.1002/adma.202313135","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Materials","description":"<title>Abstract<\/title>\n <p>\n To address the problems associated with Li metal anodes, a fluoride‐rich solid‐like electrolyte (SLE) that combines the benefits of solid‐state and liquid electrolytes is presented. Its unique triflate‐group‐enhanced frame channels facilitate the formation of a functional inorganic‐rich solid electrolyte interphase (SEI), which not only improves the reversibility and interfacial charge transfer of Li anodes but also ensures uniform and compact Li deposition. Furthermore, these triflate groups contribute to the decoupling of Li\n <sup>+<\/sup>\n and provide hopping sites for rapid Li\n <sup>+<\/sup>\n transport, enabling a high room‐temperature ionic conductivity of 1.1 mS cm\n <sup>−1<\/sup>\n and a low activation energy of 0.17 eV, making it comparable to conventional liquid electrolytes. Consequently, Li symmetric cells using such SLE achieve extremely stable plating/stripping cycling over 3500 h at 0.5 mA cm\n <sup>−2<\/sup>\n and support a high critical current up to 2 mA cm\n <sup>−2<\/sup>\n . The assembled Li||LiFePO\n <sub>4<\/sub>\n solid‐like batteries exhibit exceptional cyclability for over 1 year and a half, even outperforming liquid cells. Additionally, high‐voltage cylindrical cells and high‐capacity pouch cells are demonstrated, corroborating much simpler processibility in battery assembly compared to all‐solid‐state batteries.\n <\/p>","publication_date":"2024-02-11T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Materials","format":"Medium: X","authors":["Wang, Huashan [Department of Materials Science and Engineering College of Chemistry and Materials Science Jinan University Guangzhou 511443 P. R. China]","Huang, Weiyuan [Chemical Sciences and Engineering Division Argonne National Laboratory Lemont IL 60439 USA]","Rao, Ruijun [Department of Materials Science and Engineering College of Chemistry and Materials Science Jinan University Guangzhou 511443 P. R. China]","Zhu, Jiacheng [Laboratory for Advanced Materials and Electron Microscopy Institute of Physics Chinese Academy of Sciences Beijing 100190 P. R. China]","Chen, Huige [Department of Materials Science and Engineering College of Chemistry and Materials Science Jinan University Guangzhou 511443 P. R. China]","Liu, Haoyu [Chemical Sciences and Engineering Division Argonne National Laboratory Lemont IL 60439 USA]","Li, Jiashuai [Department of Materials Science and Engineering College of Chemistry and Materials Science Jinan University Guangzhou 511443 P. R. China]","Li, Qiufen [Department of Materials Science and Engineering College of Chemistry and Materials Science Jinan University Guangzhou 511443 P. R. China]","Bai, Mengxi [Department of Materials Science and Engineering College of Chemistry and Materials Science Jinan University Guangzhou 511443 P. R. China]","Wang, Xiang [Department of Materials Science and Engineering College of Chemistry and Materials Science Jinan University Guangzhou 511443 P. R. China]","Wang, Xuefeng [Laboratory for Advanced Materials and Electron Microscopy Institute of Physics Chinese Academy of Sciences Beijing 100190 P. R. China]","Liu, Tongchao [Chemical Sciences and Engineering Division Argonne National Laboratory Lemont IL 60439 USA]","Amine, Khalil [Chemical Sciences and Engineering Division Argonne National Laboratory Lemont IL 60439 USA] (ORCID:0000000192063719)","Wang, Ziqi [Department of Materials Science and Engineering College of Chemistry and Materials Science Jinan University Guangzhou 511443 P. R. China]"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0935-9648","other_identifiers":["Journal ID: ISSN 0935-9648; 2313135"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301797"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301797"}]}, {"osti_id":"2301768","title":"Compatibility of LaFe13−x−yMnxSiyH1.6 and Eutectic Liquid GaInSn Alloy","doi":"10.3390/magnetochemistry10020013","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Magnetochemistry Journal Volume: 10 Journal Issue: 2","description":"The heat transfer rate of magnetocaloric regenerators is a topic of extensive research and the cyclability of these regenerators is critical to the operation of systems with a high coefficient of performance (e.g., potentially >22, significantly higher than typical vapor compression cooling technologies). To enable a high operating frequency that will result in a high specific cooling power, the heat transfer fluid should have high thermal conductivity and lower specific heat, i.e., higher thermal diffusivity. Eutectic metal alloys possess these qualities, such as gallium–indium–tin (Galinstan), whose thermal diffusivity has been found to be approximately an order of magnitude higher than water. For this study, the effects of eutectic liquid Galinstan exposure on the phase stability of LaFe<sub>13—x—y<\/sub>Mn<sub>x<\/sub>Si<sub>y<\/sub>H<sub>1.6<\/sub> magnetocaloric powders in an active magnetic regenerator device were investigated. The powders were characterized before and after exposure to Galinstan using X-ray diffraction, in which the phases were determined using the Rietveld refinement technique and X-ray fluorescence. It was found that after Galinstan exposure, hydrogen containing phases were present in the powder, suggesting that the hydrogen was lost from the magnetocaloric phase. The magnetocaloric phase degradation indicates that the powder was incompatible with the Galinstan metal in an environment with moisture.","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"MDPI AG","journal_name":"Magnetochemistry","journal_issue":"2","journal_volume":"10","format":"Medium: X; Size: Article No. 13","authors":["Brechtl, Jamieson (ORCID:0000000217394283)","Rendall, Joseph","Zhang, Mingkan","Koehler, Michael R.","Nawaz, Kashif","Momen, Ayyoub M."],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","magnetocaloric powders","Galinstan","x-ray diffraction","magnetocaloric effect"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Building Technologies Office"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Building Technologies Office","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2312-7481","other_identifiers":["Journal ID: ISSN 2312-7481; MAGNCZ; PII: magnetochemistry10020013"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301768"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301768"}]}, {"osti_id":"2301728","title":"Enhancing Direct Electrochemical\n <scp>\n CO\n <sub>2<\/sub>\n <\/scp>\n Electrolysis by Introducing A‐Site Deficiency for the Dual‐Phase Pr(Ca)Fe(Ni)\n <scp>O<\/scp>\n <sub>3−δ<\/sub>\n Cathode","doi":"10.1002/eem2.12715","product_type":"Journal Article","language":"English","country_publication":"China","relation":"Journal Name: Energy & Environmental Materials","description":"<p>\n High‐temperature CO\n <sub>2<\/sub>\n electrolysis via solid oxide electrolysis cells (CO\n <sub>2<\/sub>\n –SOECs) has drawn special attention due to the high energy convention efficiency, fast electrode kinetics, and great potential in carbon cycling. However, the development of cathode materials with high catalytic activity and chemical stability for pure CO\n <sub>2<\/sub>\n electrolysis is still a great challenge. In this work, A‐site cation deficient dual‐phase material, namely (Pr\n <sub>0.4<\/sub>\n Ca\n <sub>0.6<\/sub>\n )\n <sub>\n <italic>x<\/italic>\n <\/sub>\n Fe\n <sub>0.8<\/sub>\n Ni\n <sub>0.2<\/sub>\n O\n <sub>3−δ<\/sub>\n (PCFN,\n <italic>x<\/italic>\n = 1, 0.95, and 0.9), has been designed as the fuel electrode for a pure CO\n <sub>2<\/sub>\n –SOEC, which presents superior electrochemical performance. Among all these compositions, (Pr\n <sub>0.4<\/sub>\n Ca\n <sub>0.6<\/sub>\n )\n <sub>0.95<\/sub>\n Fe\n <sub>0.8<\/sub>\n Ni\n <sub>0.2<\/sub>\n O\n <sub>3−δ<\/sub>\n (PCFN95) exhibited the lowest polarization resistance of 0.458 Ω cm\n <sup>2<\/sup>\n at open‐circuit voltage and 800 °C. The application of PCFN95 as the cathode in a single cell yields an impressive electrolysis current density of 1.76 A cm\n <sup>−2<\/sup>\n at 1.5 V and 800 °C, which is 76% higher than that of single cells with stoichiometric Pr\n <sub>0.4<\/sub>\n Ca\n <sub>0.6<\/sub>\n Fe\n <sub>0.8<\/sub>\n Ni\n <sub>0.2<\/sub>\n O\n <sub>3−δ<\/sub>\n (PCFN100) cathode. The effects of A‐site deficiency on materials\' phase structure and physicochemical properties are also systematically investigated. Such an enhancement in electrochemical performance is attributed to the promotion of effective CO\n <sub>2<\/sub>\n adsorption, as well as the improved electrode kinetics resulting from the A‐site deficiency.\n <\/p>","publication_date":"2024-02-11T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Energy & Environmental Materials","format":"Medium: X","authors":["Wang, Wanhua [Department of Mechanical Engineering University of South Carolina Columbia SC 29208 USA, Energy &, Environmental Science and Technology, Idaho National Laboratory Idaho Falls ID 83415 USA]","Li, Haixia [Department of Mechanical Engineering University of South Carolina Columbia SC 29208 USA]","Park, Ka‐Young [Department of Mechanical Engineering University of South Carolina Columbia SC 29208 USA]","Lee, Taehee [Department of Mechanical Engineering University of South Carolina Columbia SC 29208 USA]","Ding, Dong [Energy &, Environmental Science and Technology, Idaho National Laboratory Idaho Falls ID 83415 USA] (ORCID:0000000269214504)","Chen, Fanglin [Department of Mechanical Engineering University of South Carolina Columbia SC 29208 USA] (ORCID:0000000199428872)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2575-0356","other_identifiers":["Journal ID: ISSN 2575-0356; e12715"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301728"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301728"}]}, {"osti_id":"2301764","title":"A Unified Perspective on Poincaré and Galilei Relativity: I. Special Relativity","doi":"10.3390/sym16020214","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Symmetry Journal Volume: 16 Journal Issue: 2","description":"<p>A semantic adjustment to what physicists mean by the terms ‘special relativity’ and ‘general relativity’ is suggested, which prompts a conceptual shift to a more unified perspective on physics governed by the Poincaré group and physics governed by the Galilei group. After exploring the limits of a unified perspective available in the setting of 4-dimensional spacetime, a particular central extension of the Poincaré group—analogous to the Bargmann group that is a central extension of the Galilei group—is presented that deepens a unified perspective on Poincaré and Galilei physics in a 5-dimensional spacetime setting. The immediate focus of this paper is classical physics on affine 4-dimensional and 5-dimensional spacetimes (‘special relativity’ as redefined here), including the electrodynamics that gave rise to Poincaré physics in the first place, but the results here may suggest the existence of a ‘Galilei general relativity’ more extensive than generally known, to be pursued in the sequel.<\/p>","publication_date":"2024-02-10T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"MDPI AG","journal_name":"Symmetry","journal_issue":"2","journal_volume":"16","format":"Medium: X; Size: Article No. 214","authors":["Cardall, Christian Y. (ORCID:000000020086105X)"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2073-8994","other_identifiers":["Journal ID: ISSN 2073-8994; SYMMAM; PII: sym16020214"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301764"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301764"}]}, {"osti_id":"2301700","title":"Solvation-property relationship of lithium-sulphur battery electrolytes","doi":"10.1038/s41467-023-44527-x","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n The Li-S battery is a promising next-generation battery chemistry that offers high energy density and low cost. The Li-S battery has a unique chemistry with intermediate sulphur species readily solvated in electrolytes, and understanding their implications is important from both practical and fundamental perspectives. In this study, we utilise the solvation free energy of electrolytes as a metric to formulate solvation-property relationships in various electrolytes and investigate their impact on the solvated lithium polysulphides. We find that solvation free energy influences Li-S battery voltage profile, lithium polysulphide solubility, Li-S battery cyclability and the Li metal anode; weaker solvation leads to lower 1\n <sup>st<\/sup>\n plateau voltage, higher 2\n <sup>nd<\/sup>\n plateau voltage, lower lithium polysulphide solubility, and superior cyclability of Li-S full cells and Li metal anodes. We believe that relationships delineated in this study can guide the design of high-performance electrolytes for Li-S batteries.\n <\/p>","publication_date":"2024-02-10T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Kim, Sang Cheol (ORCID:0000000217498277)","Gao, Xin","Liao, Sheng-Lun","Su, Hance (ORCID:0000000335664176)","Chen, Yuelang (ORCID:0000000252490596)","Zhang, Wenbo (ORCID:000000020828594X)","Greenburg, Louisa C.","Pan, Jou-An","Zheng, Xueli (ORCID:0000000268002649)","Ye, Yusheng (ORCID:0000000198322478)","Kim, Mun Sek (ORCID:0000000309183870)","Sayavong, Philaphon (ORCID:0000000176058194)","Brest, Aaron","Qin, Jian (ORCID:000000016271068X)","Bao, Zhenan (ORCID:0000000209721715)","Cui, Yi (ORCID:0000000261036352)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1268; PII: 44527"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301700"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301700"}]}, {"osti_id":"2319218","title":"Quantum-parallel vectorized data encodings and computations on trapped-ion and transmon QPUs","doi":"10.1038/s41598-024-53720-x","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Scientific Reports; Journal Volume: 14; Journal Issue: 1","description":"Compact data representations in quantum systems are crucial for the development of quantum algorithms for data analysis. In this study, we present two innovative data encoding techniques, known as QCrank and QBArt, which exhibit significant quantum parallelism via uniformly controlled rotation gates. The QCrank method encodes a series of real-valued data as rotations on data qubits, resulting in increased storage capacity. On the other hand, QBArt directly incorporates a binary representation of the data within the computational basis, requiring fewer quantum measurements and enabling well-established arithmetic operations on binary data. We showcase various applications of the proposed encoding methods for various data types. Notably, we demonstrate quantum algorithms for tasks such as DNA pattern matching, Hamming weight computation, complex value conjugation, and the retrieval of a binary image with 384 pixels, all executed on the Quantinuum trapped-ion QPU. Furthermore, we employ several cloud-accessible QPUs, including those from IBMQ and IonQ, to conduct supplementary benchmarking experiments.","publication_date":"2024-02-10T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: ED; Size: Article No. 3435","authors":["Balewski, Jan [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)]","Amankwah, Mercy G. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Case Western Reserve Univ., Cleveland, OH (United States)]","Van Beeumen, Roel [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]","Bethel, E. Wes [San Francisco State Univ., CA (United States)]","Perciano, Talita [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]","Camps, Daan [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)]"],"subjects":["applied mathematics","computer science","genomics","quantum information","scientific data"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-05CH11231; AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; ark:/13030/qt8v41x5jg"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319218"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2319218"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319218"}]}, {"osti_id":"2310360","title":"The MOOSE Thermal Hydraulics Module","report_number":"INL/JOU-23-75281-Rev000","doi":"10.21105/joss.06146","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Open Source Software; Journal Volume: 9; Journal Issue: 94","description":"The Multiphysics Object-Oriented Simulation Environment (MOOSE) is an open-source object-oriented finite element framework written in C++ (Lindsay et al., 2022). The Thermal Hydraulics Module (THM) is an optional MOOSE physics module that provides capabilities for studying thermal hydraulic systems. Its core capability lies in assembling a network of coupled components, for instance, pipes, junctions, and valves. THM provides several new systems to MOOSE to enable and facilitate thermal hydraulic simulations, most notably the Components system, which provides a higher-level syntax to MOOSE’s lower-level objects. This system is extensible by the user, but the current library primarily includes components based on a one-dimensional, single-phase, variable-area, compressible flow model, as well as heat conduction.","publication_date":"2024-02-14T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Open Source Initiative - NumFOCUS","journal_name":"Journal of Open Source Software","journal_issue":"94","journal_volume":"9","format":"Medium: ED; Size: Article No. 6146","authors":["Hansel, Joshua [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:0000000167825275)","Andrs, David [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:000000028913902X)","Charlot, Lise [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:0000000263436990)","Giudicelli, Guillaume [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:0000000197144382)"],"subjects":["97 MATHEMATICS AND COMPUTING","42 ENGINEERING","thermal hydraulics","MOOSE","C++","multiphysics","system analysis"],"article_type":"Accepted Manuscript","doe_contract_number":"AC07-05ID14517","orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE). Nuclear Energy Advanced Modeling and Simulation (NEAMS)"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE). Nuclear Energy Advanced Modeling and Simulation (NEAMS)"],"orgs_research":[{"name":"Idaho National Laboratory (INL), Idaho Falls, ID (United States)"}],"research_orgs":["Idaho National Laboratory (INL), Idaho Falls, ID (United States)"],"journal_issn":"ISSN 2475-9066","other_identifiers":["Journal ID: ISSN 2475-9066"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310360"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2310360"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310360"}]}, {"osti_id":"2310908","title":"Tailoring tokamak error fields to control plasma instabilities and transport","doi":"10.1038/s41467-024-45454-1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nature Communications; Journal Volume: 15; Journal Issue: 1","description":"A tokamak relies on the axisymmetric magnetic fields to confine fusion plasmas and aims to deliver sustainable and clean energy. However, misalignments arise inevitably in the tokamak construction, leading to small asymmetries in the magnetic field known as error fields (EFs). The EFs have been a major concern in the tokamak approaches because small EFs, even less than 0.1%, can drive a plasma disruption. Meanwhile, the EFs in the tokamak can be favorably used for controlling plasma instabilities, such as edge-localized modes (ELMs). Here we show an optimization that tailors the EFs to maintain an edge 3D response for ELM control with a minimized core 3D response to avoid plasma disruption and unnecessary confinement degradation. We design and demonstrate such an edge-localized 3D response in the KSTAR facility, benefiting from its unique flexibility to change many degrees of freedom in the 3D coil space for the various fusion plasma regimes. This favorable control of the tokamak EF represents a notable advance for designing intrinsically 3D tokamaks to optimize stability and confinement for next-step fusion reactors.","publication_date":"2024-02-10T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: ED; Size: Article No. 1275","authors":["Yang, SeongMoo [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000312141268)","Park, Jong-Kyu [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States); Seoul National Univ. (Korea, Republic of)] (ORCID:0000000324198667)","Jeon, YoungMu [Korea Institute of Fusion Energy, Daejeon (Korea, Republic of)] (ORCID:0000000273743759)","Logan, Nikolas C. [Columbia Univ., New York, NY (United States)]","Lee, Jaehyun [Korea Institute of Fusion Energy, Daejeon (Korea, Republic of)]","Hu, Qiming [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000288774988)","Lee, JongHa [Korea Institute of Fusion Energy, Daejeon (Korea, Republic of)]","Kim, SangKyeun [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000207018962)","Kim, Jaewook [Korea Institute of Fusion Energy, Daejeon (Korea, Republic of)] (ORCID:0000000300475498)","Lee, Hyungho [Korea Institute of Fusion Energy, Daejeon (Korea, Republic of)]","Na, Yong-Su [Seoul National Univ. (Korea, Republic of)] (ORCID:0000000172703846)","Hahm, Taik Soo [Seoul National Univ. (Korea, Republic of)]","Choi, Gyungjin [Seoul National Univ. (Korea, Republic of)] (ORCID:0000000300441650)","Snipes, Joseph A. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000270775077)","Park, Gunyoung [Korea Institute of Fusion Energy, Daejeon (Korea, Republic of)]","Ko, Won-Ha [Korea Institute of Fusion Energy, Daejeon (Korea, Republic of)]"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-09CH11466; RS-2023-00281272; 2019R1F1A1057545; 2022R1F1A1073863; NRF-2019R1A2C1010757","orgs_sponsor":[{"name":"USDOE"},{"name":"National Research Foundation of Korea (NRF)"}],"sponsor_orgs":["USDOE","National Research Foundation of Korea (NRF)"],"orgs_research":[{"name":"Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)"}],"research_orgs":["Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)"],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; KFE-EN2401-15; RS-2023-00281272; 2019R1F1A1057545; 2022R1F1A1073863; NRF-2019R1A2C1010757"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310908"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2310908"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310908"}]}, {"osti_id":"2301719","title":"Investigating Influential Parameters for High-Purity Germanium Crystal Growth","doi":"10.3390/cryst14020177","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Crystals Journal Volume: 14 Journal Issue: 2","description":"<p>This paper focuses on the research and development of high-purity germanium (HPGe) crystals for detector fabrication, specifically targeting applications in rare-event physics searches. The primary objective was to produce large-scale germanium crystals weighing >1 kg with a controlled diameter of ∼10 cm and an impurity range of approximately 1010/cm 3. Ensuring structural integrity and excellent crystalline quality requires a thorough assessment of dislocation density, a critical aspect of the crystal development process. Dislocation density measurements play a crucial role in maximizing the sensitivity of HPGe detectors, and our findings confirmed that the dislocation density fell within acceptable ranges for detector fabrication. Additionally, this paper examines the segregation coefficient of various contaminants during the crystal development process. Comprehensive analysis of impurity segregation is essential for reducing contaminant quantities in the crystal lattice and customizing purification processes. This, in turn, minimizes undesired background noise, enhancing signal-to-noise ratios for rare-event physics searches and overall detector performance. The investigation included the segregation coefficients of three major acceptors and one donor in crystals grown at the University of South Dakota, providing valuable insights for optimizing crystal purity and detector efficiency.<\/p>","publication_date":"2024-02-10T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"MDPI AG","journal_name":"Crystals","journal_issue":"2","journal_volume":"14","format":"Medium: X; Size: Article No. 177","authors":["Bhattarai, Sanjay","Mei, Dongming","Budhathoki, Narayan","Dong, Kunming (ORCID:0000000199459388)","Warren, Austin"],"article_type":"Published Article","doe_contract_number":"SC0004768","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2073-4352","other_identifiers":["Journal ID: ISSN 2073-4352; CRYSBC; PII: cryst14020177"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301719"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301719"}]}, {"osti_id":"2311295","title":"Piston geometry and stroke optimization for high efficiency propane spark ignition engines","doi":"10.1016/j.applthermaleng.2024.122708","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Thermal Engineering; Journal Volume: 244; Journal Issue: 1","description":"Propane has unique properties and offers interesting characteristics for high-efficiency spark ignition engines. Its high volatility reduces or completely eliminates fuel-wall wetting and facilitates fuel air mixing. Furthermore, propane has a research octane number of 112 and a high octane sensitivity of 15. Finally, its laminar flame speed is on the same order as that of conventional gasoline, and it exhibits high dilution tolerance. Modern spark ignition internal combustion engines rely on fast combustion rates and high dilution to achieve high brake thermal efficiencies. To accomplish this, high stroke-to-bore ratios and high geometric compression ratios have been used in new engine designs. Therefore, propane’s relatively high laminar flame speeds, high knock resistance, and dilution tolerance make it an excellent candidate fuel for modern spark ignition engines. The objective of this work is to co-optimize the piston geometry and the engine stroke to maximize the efficiency of a spark-ignition engine fueled with propane. 3D computational fluid dynamics (CFD) simulations employing the extended coherent flamelet model were used to study the parametric effects of piston shape and stroke length. A piston geometry based on high performing pistons was parameterized using four controlling parameters. The piston geometry and engine stroke design space was explored using deterministic and quasi-random sampling techniques. In conclusion, a Gaussian process regression model was built using the simulation data to explain the results observed.","publication_date":"2024-02-12T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Elsevier","journal_name":"Applied Thermal Engineering","journal_issue":"1","journal_volume":"244","format":"Medium: ED; Size: Article No. 122708","authors":["Chuahy, Flavio D.F. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000298280201)","Splitter, Derek [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]"],"subjects":["33 ADVANCED PROPULSION SYSTEMS","Propane","High efficiency","Combustion","Optimization","Piston"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE)"},{"name":"USDOE Office of Science (SC)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE)","USDOE Office of Science (SC)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1359-4311","other_identifiers":["Journal ID: ISSN 1359-4311"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311295"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311295"}]}, {"osti_id":"2311862","title":"Comprehensive application of XFEL micro crystallography for challenging targets in various organic compounds","report_number":"CXIDB ID 223","doi":"10.11577/2311862","product_type":"Dataset","language":"English","country_publication":"United States","relation":"Related Information: Comprehensive application of XFEL micro crystallography for challenging targets in various organic compounds, Kiyofumi Takaba and Saori Maki-Yonekura et al. Journal of the American Chemical Society, 2024, http://dx.doi.org/10.1021/jacs.3c11523","description":"Please check the README file for more information about the dataset.","publication_date":"2024-02-26T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","authors":["Maki-Yonekura, Kiyofumi TakabaandSaori"],"subjects":["XFEL","X-ray Free-electorn Lasers","SACLA","BL2 and BL3","Synthetic organic compounds (Ph-BTBT-C10, anti-BTBTT-C6, monopeptoid, tripeptoid)","Serial Femtosecond Crystallography"],"doe_contract_number":"AC02-05CH11231","orgs_sponsor":[{"name":"Uppsala University"}],"sponsor_orgs":["Uppsala University"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Coherent X-ray Imaging Data Bank"},{"name":"Uppsala Univ. (Sweden)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Coherent X-ray Imaging Data Bank","Uppsala Univ. (Sweden)"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311862"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2311862"},{"rel":"citation_doe_dataexplorer","href":"https://www.osti.gov/dataexplorer/biblio/dataset/2311862"}]}, {"osti_id":"2315730","title":"Codebase release 0.5 for mapyde","doi":"10.21468/SciPostPhysCodeb.27-r0.5","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: SciPost Physics Codebases","description":"<p>Searches for new physics at the Large Hadron Collider have constrained many models of physics beyond the Standard Model. Many searches also provide resources that allow them to be reinterpreted in the context of other models. We describe a reinterpretation pipeline that examines previously untested models of new physics using supplementary information from ATLAS Supersymmetry (SUSY) searches in a way that provides accurate constraints even for models that differ meaningfully from the benchmark models of the original analysis. The public analysis information, such as public analysis routines and serialized probability models, is combined with common event generation and simulation toolkits MADGRAPH, PYTHIA8, and DELPHES into workflows steered by TOML configuration files, and bundled into the mapyde Python package. The use of mapyde is demonstrated by constraining previously untested SUSY models with compressed sleptons and electroweakinos using ATLAS results.<\/p>","publication_date":"2024-02-28T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Stichting SciPost","journal_name":"SciPost Physics Codebases","format":"Medium: X","authors":["Stark, Giordon","Aristimuno Ots, Camila","Hance, Mike"],"article_type":"Published Article","doe_contract_number":"SC0010107","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2949-804X","other_identifiers":["Journal ID: ISSN 2949-804X; 27-r0.5"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315730"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315730"}]}, {"osti_id":"2299503","title":"PM<sub>2.5<\/sub> Is Insufficient to Explain Personal PAH Exposure","report_number":"PNNL-SA-184349","doi":"10.1029/2023gh000937","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: GeoHealth; Journal Volume: 8; Journal Issue: 2","description":"To understand how chemical exposure can impact health, researchers need tools that capture the complexities of personal chemical exposure. In practice, fine particulate matter (PM<sub>2.5<\/sub>) air quality index (AQI) data from outdoor stationary monitors and Hazard Mapping System (HMS) smoke density data from satellites are often used as proxies for personal chemical exposure, but do not capture total chemical exposure. Silicone wristbands can quantify more individualized exposure data than stationary air monitors or smoke satellites. However, it is not understood how these proxy measurements compare to chemical data measured from wristbands. In this study, participants wore daily wristbands, carried a phone that recorded locations, and answered daily questionnaires for a 7-day period in multiple seasons. We gathered publicly available daily PM<sub>2.5<\/sub> AQI data and HMS data. We analyzed wristbands for 94 organic chemicals, including 53 polycyclic aromatic hydrocarbons. Wristband chemical detections and concentrations, behavioral variables (e.g., time spent indoors), and environmental conditions (e.g., PM<sub>2.5<\/sub> AQI) significantly differed between seasons. Machine learning models were fit to predict personal chemical exposure using PM<sub>2.5<\/sub> AQI only, HMS only, and a multivariate feature set including PM<sub>2.5<\/sub> AQI, HMS, and other environmental and behavioral information. On average, the multivariate models increased predictive accuracy by approximately 70% compared to either the AQI model or the HMS model for all chemicals modeled. This study provides evidence that PM<sub>2.5<\/sub> AQI data alone or HMS data alone is insufficient to explain personal chemical exposures. Our results identify additional key predictors of personal chemical exposure.","publication_date":"2024-02-10T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"American Geophysical Union - Wiley","journal_name":"GeoHealth","journal_issue":"2","journal_volume":"8","format":"Medium: ED; Size: Article No. e2023GH000937","authors":["Bramer, Lisa M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000283841926)","Dixon, Holly M. [Oregon State University, Corvallis, OR (United States)] (ORCID:0000000303264477)","Rohlman, Diana [Oregon State University, Corvallis, OR (United States)] (ORCID:0000000239820327)","Scott, Richard P. [Oregon State University, Corvallis, OR (United States)]","Miller, Rachel L. [Icahn School of Medicine at Mount Sinai, New York, NY (United States)] (ORCID:0000000242143347)","Kincl, Laurel [Oregon State University, Corvallis, OR (United States)] (ORCID:0000000318839456)","Herbstman, Julie B. [Columbia University, New York, NY (United States)] (ORCID:000000015531163X)","Waters, Katrina M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States): Oregon State University, Corvallis, OR (United States)] (ORCID:0000000346965396)","Anderson, Kim A. [Oregon State University, Corvallis, OR (United States)] (ORCID:0000000252582925)"],"subjects":["63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTANT EFFECTS ON LIVING ORGS. AND BIOL. MAT."],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; 1R21ES024718; 4R33ES024718; P30ES030287; P42ES016465; T32ES007060","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"National Institute of Environmental Health Sciences (NIEHS)"},{"name":"ARCS Foundation"}],"sponsor_orgs":["USDOE Office of Science (SC)","National Institute of Environmental Health Sciences (NIEHS)","ARCS Foundation"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2471-1403","other_identifiers":["Journal ID: ISSN 2471-1403"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2299503"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2299503"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2299503"}]}, {"osti_id":"2300053","title":"Hydrogen Bonding Inside Anionic Polymeric Brush Layer: Machine Learning-Driven Exploration of the Relative Roles of the Polymer Steric Effect, Charging, and Type of Screening Counterions","doi":"10.1021/acs.macromol.3c02127","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Macromolecules","description":"This paper employs a combination of all-atom molecular dynamics (MD) simulations and unsupervised machine learning (ML) for studying the water-water hydrogen bonds (HBs) inside the anionic poly-acrylic acid (PAA) brushes modeled using all-atom MD simulations. PAA brush layer with different charge fraction (f), namely f=0, f=0.25, and f=1, is considered. Water-water interactions, both inside and outside the brush layer, are represented through distinct clusters of tupules of variables representing distances associated with the interacting water molecules. While clusters representing the HBs are present for water inside and outside the brushes, several clusters representing the long-range water-water interactions are missing for the water molecules inside the highly charged (f=1) PAA brushes. More importantly, inside highly charged brushes, the edge of the clusters representing the water-water HBs is progressively shortened, as compared to that in the bulk. Both these results stem from the presence of the PAA brushes imparting the steric effect and the charge effect, or the effect associated with enhanced interactions of water molecules with PE charges and counterions, thereby disrupting the water connectivity. This water-charged-species interaction also increases the water-water HB angle, i.e., makes the water-water HBs less stable inside the highly charged PAA brush layer. The narrowing of the clusters representing the HBs and the alteration of the angle characterizing the HBs confirm that the conditions defining the water-water HBs change inside the PAA brush layer as a function of the charges on the PAA brush layer. Furthermore, we show that the use of the generic definition of HBs, as compared to using our simulation-motivated modified definition of water-water HBs, overpredict the number of water-water HBs inside the PAA brush layer. Finally, we employ this all-atom-MD-ML framework to quantify the effect of other types of screening counterions (Li<sup>+<\/sup>, Ca<sup>2+<\/sup>, and Y<sup>3+<\/sup> ions) in determining the water-water interactions and water-water HB properties inside the PAA brush layer. Furthermore, the findings of the present study, confirming the weakening of water-water HBs inside the PAA brush layer, points to the possibility that the water molecules will be more available for hydrating the brush layer and counterions, thereby leading to a more pronounced wetting of the PAA brush layer.","publication_date":"2024-02-10T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"American Chemical Society","journal_name":"Macromolecules","format":"Medium: ED","authors":["Bera, Arka [University of Maryland, College Park, MD (United States)]","Akash, Tanmay Sarkar [University of Maryland, College Park, MD (United States)]","Ishraaq, Raashiq [University of Maryland, College Park, MD (United States)]","Pial, Turash Haque [University of Maryland, College Park, MD (United States)]","Das, Siddhartha [University of Maryland, College Park, MD (United States)] (ORCID:000000021705721X)"],"subjects":["Cluster chemistry","Counterions","Layers","Molecules","Peptides and proteins"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0017741","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Univ. of Maryland, College Park, MD (United States)"}],"research_orgs":["Univ. of Maryland, College Park, MD (United States)"],"journal_issn":"ISSN 0024-9297","other_identifiers":["Journal ID: ISSN 0024-9297"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2300053"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2300053"}]}, {"osti_id":"2294126","title":"Strategies to overcome electron-beam issues in liquid phase TEM: Study of chemical processes","doi":"10.1557/s43577-024-00661-5","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: MRS Bulletin","description":"<title>Abstract<\/title>\n <p>\n Liquid phase (or liquid cell) transmission electron microscopy (TEM) has become a powerful platform for\n <italic>in situ<\/italic>\n investigation of various chemical processes at the nanometer or atomic level. The electron beam for imaging can also induce perturbation to the chemical processes. Thus, it has been a concern that the observed phenomena in a liquid cell could deviate from the real-world processes. Strategies have been developed to overcome the electron-beam-induced issues. This article provides an overview of the electron-beam effects, and discusses various strategies in liquid cell TEM study of nucleation, growth, and self-assembly of nanoscale materials, where an electron beam is often used to initiate the reactions, and highly electron-beam-sensitive electrochemical reactions.\n <\/p>\n <p>\n <bold>Graphical abstract<\/bold>\n <\/p>","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Cambridge University Press (CUP)","journal_name":"MRS Bulletin","format":"Medium: X","authors":["Zheng, Wenjing","Lee, Daewon","Zheng, Haimei (ORCID:0000000338134170)"],"article_type":"Published Article","doe_contract_number":"KC22ZH; 202103021223183","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0883-7694","other_identifiers":["Journal ID: ISSN 0883-7694; PII: 661"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294126"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294126"}]}, {"osti_id":"2294124","title":"A Gaussian process guide for signal regression in magnetic fusion","doi":"10.1088/1741-4326/ad1af5","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion Journal Volume: 64 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Extracting reliable information from diagnostic data in tokamaks is critical for understanding, analyzing, and controlling the behavior of fusion plasmas and validating models describing that behavior. Recent interest within the fusion community has focused on the use of principled statistical methods, such as Gaussian process regression (GPR), to attempt to develop sharper, more reliable, and more rigorous tools for examining the complex observed behavior in these systems. While GPR is an enormously powerful tool, there is also the danger of drawing fragile, or inconsistent conclusions from naive GPR fits that are not driven by principled treatments. Here we review the fundamental concepts underlying GPR in a way that may be useful for broad-ranging applications in fusion science. We also revisit how GPR is developed for profile fitting in tokamaks. We examine various extensions and targeted modifications applicable to experimental observations in the edge of the DIII-D tokamak. Finally, we discuss best practices for applying GPR to fusion data.<\/p>","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","journal_issue":"3","journal_volume":"64","format":"Medium: X; Size: Article No. 035001","authors":["Michoski, Craig (ORCID:000000026356233X)","Oliver, Todd A. (ORCID:0000000194150429)","Hatch, David R. (ORCID:0000000216254385)","Diallo, Ahmed (ORCID:000000020706060X)","Kotschenreuther, Mike","Eldon, David (ORCID:0000000318950648)","Waller, Matthew","Groebner, Richard (ORCID:000000025643564X)","Nelson, Andrew Oakleigh"],"article_type":"Published Article","doe_contract_number":"AR0001265; FC02-04ER54698","subjects":[],"orgs_sponsor":[{"name":"USDOE Advanced Research Projects Agency - Energy (ARPA-E)"},{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Advanced Research Projects Agency - Energy (ARPA-E)","USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294124"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294124"}]}, {"osti_id":"2316047","title":"Trustworthiness modeling and evaluation for a nearly autonomous management and control system","report_number":"INL/JOU-22-70031-Rev000","doi":"10.1016/j.ress.2024.110008","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Reliability Engineering and System Safety; Journal Volume: 245","description":"The Nearly Autonomous Management and Control (NAMAC) system supports the advanced reactor operation by recommending control actions to operators based on real-time measurements and digital twins (DTs) learning from the knowledge base. To enable the safe and reliable use of autonomous technologies, NAMAC and its recommendations should be trustworthy to operators and regulators at both the design and operation stages. This study proposes a NAMAC trustworthiness modeling and evaluation framework supported by trustworthiness ontologies and evidence-based approaches. The development-time and run-time ontologies are separately constructed and then converted to Bayesian networks to quantitatively evaluate the NAMAC trustworthiness. This evaluation is demonstrated by collecting and characterizing evidence from NAMAC practices, such as the development and assessment of the NAMAC system, data coverage assessment, and the training and optimizations of neural-network-based DTs. Our proposed approach can aggregate various trustworthiness attributes of complex artificial-intelligence-supported systems for safety-critical applications. It also considers the interaction between different DTs and extends beyond the trustworthiness evaluation of a single DT. In conclusion, the evidence-based method enhances the transparency of the trustworthiness modeling and evaluation processes and helps identify uncertainties and subjectivity involved in the processes.","publication_date":"2024-02-10T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Elsevier","journal_name":"Reliability Engineering and System Safety","journal_volume":"245","format":"Medium: ED; Size: Article No. 110008","authors":["Wang, Longcong [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000243742966)","Lin, Linyu [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:0000000269212795)","Dinh, Nam [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000308799710)"],"subjects":["22 GENERAL STUDIES OF NUCLEAR REACTORS","trustworthiness","digital twin","ontology","data coverage assessment"],"article_type":"Accepted Manuscript","doe_contract_number":"AC07-05ID14517; AR0000976","orgs_sponsor":[{"name":"USDOE Advanced Research Projects Agency - Energy (ARPA-E)"}],"sponsor_orgs":["USDOE Advanced Research Projects Agency - Energy (ARPA-E)"],"orgs_research":[{"name":"Idaho National Laboratory (INL), Idaho Falls, ID (United States)"}],"research_orgs":["Idaho National Laboratory (INL), Idaho Falls, ID (United States)"],"journal_issn":"ISSN 0951-8320","other_identifiers":["Journal ID: ISSN 0951-8320"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316047"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316047"}]}, {"osti_id":"2301789","title":"Techno-Economic Analysis of Cement Decarbonization Techniques: Oxygen Enrichment vs. Hydrogen Fuel","doi":"10.3390/hydrogen5010005","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Hydrogen Journal Volume: 5 Journal Issue: 1","description":"<p>The Paris Agreement aims to limit global warming, and one of the most polluting sectors is heavy industry, where cement production is a significant contributor. This work briefly explores some alternatives, recycling, reducing clinker content, waste heat recovery, and carbon capture, discussing their advantages and drawbacks. Then, it examines the economic viability and benefits of increasing oxygen concentration in the primary burning air from 21 to 27 vol.%, which could improve clinker production by 7%, and the production of hydrogen through PEM electrolysis to make up 5% of the fuel thermal fraction, considering both in a cement plant producing 3000 tons of clinker per day. This analysis used reference values from Secil, an international company for cement and building materials, to determine the required scale of the oxygen and hydrogen production, respectively, and calculate the CAPEX of each approach. It is concluded that oxygen enrichment can provide substantial fuel savings for a relatively low cost despite a possible significant increase in NOx emissions. However, hydrogen production at this scale is not currently economically viable.<\/p>","publication_date":"2024-02-10T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"MDPI AG","journal_name":"Hydrogen","journal_issue":"1","journal_volume":"5","format":"Medium: X; Size: p. 59-69","authors":["Domingues, Bruno C.","Santos, Diogo M. F. (ORCID:0000000279202638)","Mateus, Margarida","Cecílio, Duarte"],"article_type":"Published Article","doe_contract_number":"UIDP/04540/2020","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Fuel Cell Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Fuel Cell Technologies Office"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2673-4141","other_identifiers":["Journal ID: ISSN 2673-4141; HYDRC9; PII: hydrogen5010005"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301789"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301789"}]}, {"osti_id":"2308821","title":"Natural diversity screening, assay development, and characterization of nylon-6 enzymatic depolymerization","report_number":"NREL/JA-2A00-88295","doi":"10.1038/s41467-024-45523-5","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nature Communications; Journal Volume: 15; Journal Issue: 1","description":"Successes in biocatalytic polyester recycling have raised the possibility of deconstructing alternative polymers enzymatically, with polyamide (PA) being a logical target due to the array of amide-cleaving enzymes present in nature. Here, we screen 40 potential natural and engineered nylon-hydrolyzing enzymes (nylonases), using mass spectrometry to quantify eight compounds resulting from enzymatic nylon-6 (PA6) hydrolysis. Comparative time-course reactions incubated at 40-70 °C showcase enzyme-dependent variations in product distributions and extent of PA6 film depolymerization, with significant nylon deconstruction activity appearing rare. The most active nylonase, a NylC<sub>K<\/sub> variant we rationally thermostabilized (an N-terminal nucleophile (Ntn) hydrolase, NylC<sub>K<\/sub>-TS, T<sub>m<\/sub> = 87.4 °C, 16.4 °C higher than the wild-type), hydrolyzes 0.67 wt% of a PA6 film. Reactions fail to restart after fresh enzyme addition, indicating that substrate-based limitations, such as restricted enzyme access to hydrolysable bonds, prohibit more extensive deconstruction. Overall, this study expands our understanding of nylonase activity distribution, indicates that Ntn hydrolases may have the greatest potential for further development, and identifies key targets for progressing PA6 enzymatic depolymerization, including improving enzyme activity, product selectivity, and enhancing polymer accessibility.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: ED; Size: Article No. 1217","authors":["Bell, Elizabeth L. [National Renewable Energy Laboratory (NREL), Golden, CO (United States); BOTTLE Consortium, Golden, CO (United States)] (ORCID:000000028247743X)","Rosetto, Gloria [National Renewable Energy Laboratory (NREL), Golden, CO (United States)]","Ingraham, Morgan A. [National Renewable Energy Laboratory (NREL), Golden, CO (United States); BOTTLE Consortium, Golden, CO (United States)] (ORCID:0000000273504862)","Ramirez, Kelsey J. [National Renewable Energy Laboratory (NREL), Golden, CO (United States); BOTTLE Consortium, Golden, CO (United States)] (ORCID:000000025114742X)","Lincoln, Clarissa [National Renewable Energy Laboratory (NREL), Golden, CO (United States); BOTTLE Consortium, Golden, CO (United States)]","Clarke, Ryan W. [National Renewable Energy Laboratory (NREL), Golden, CO (United States); BOTTLE Consortium, Golden, CO (United States)] (ORCID:0000000210833618)","Gado, Japheth E. [National Renewable Energy Laboratory (NREL), Golden, CO (United States); BOTTLE Consortium, Golden, CO (United States)]","Lilly, Jacob L. [Battelle Memorial Institute, Columbus, OH (United States)]","Kucharzyk, Katarzyna H. [Battelle Memorial Institute, Columbus, OH (United States)]","Erickson, Erika [National Renewable Energy Laboratory (NREL), Golden, CO (United States); BOTTLE Consortium, Golden, CO (United States)] (ORCID:0000000178069348)","Beckham, Gregg T. [National Renewable Energy Laboratory (NREL), Golden, CO (United States); BOTTLE Consortium, Golden, CO (United States)] (ORCID:000000023480212X)"],"subjects":["09 BIOMASS FUELS","37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","amide-cleaving enzymes","biocatalytic polyester recycling","depolymerization","enzymatic hydrolysis","nylon deconstruction","nylonases","biocatalysis","biotechnology","enzymes","hydrolases","polymer chemistry"],"article_type":"Accepted Manuscript","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Manufacturing and Materials Technologies Office (AMMTO)"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Manufacturing and Materials Technologies Office (AMMTO)","USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; MainId:89070;UUID:1ad7b695-9370-46bc-8ecb-ad7cd411f36a;MainAdminId:71818"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308821"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2308821"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308821"}]}, {"osti_id":"2301804","title":"The hidden roots of wetland methane emissions","doi":"10.1111/gcb.17127","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Global Change Biology Journal Volume: 30 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Wetlands are the largest natural source of methane (CH\n <sub>4<\/sub>\n ) globally. Climate and land use change are expected to alter CH\n <sub>4<\/sub>\n emissions but current and future wetland CH\n <sub>4<\/sub>\n budgets remain uncertain. One important predictor of wetland CH\n <sub>4<\/sub>\n flux, plants, play an important role in providing substrates for CH\n <sub>4<\/sub>\n ‐producing microbes, increasing CH\n <sub>4<\/sub>\n consumption by oxygenating the rhizosphere, and transporting CH\n <sub>4<\/sub>\n from soils to the atmosphere. Yet, there remain various mechanistic knowledge gaps regarding the extent to which plant root systems and their traits influence wetland CH\n <sub>4<\/sub>\n emissions. Here, we present a novel conceptual framework of the relationships between a range of root traits and CH\n <sub>4<\/sub>\n processes in wetlands. Based on a literature review, we propose four main CH\n <sub>4<\/sub>\n ‐relevant categories of root function: gas transport, carbon substrate provision, physicochemical influences and root system architecture. Within these categories, we discuss how individual root traits influence CH\n <sub>4<\/sub>\n production, consumption, and transport (PCT). Our findings reveal knowledge gaps concerning trait functions in physicochemical influences, and the role of mycorrhizae and temporal root dynamics in PCT. We also identify priority research needs such as integrating trait measurements from different root function categories, measuring root‐CH\n <sub>4<\/sub>\n linkages along environmental gradients, and following standardized root ecology protocols and vocabularies. Thus, our conceptual framework identifies relevant belowground plant traits that will help improve wetland CH\n <sub>4<\/sub>\n predictions and reduce uncertainties in current and future wetland CH\n <sub>4<\/sub>\n budgets.\n <\/p>","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"Global Change Biology","journal_issue":"2","journal_volume":"30","format":"Medium: X","authors":["Määttä, Tiia [Department of Geography University of Zürich Zürich Switzerland] (ORCID:0000000249642595)","Malhotra, Avni [Department of Geography University of Zürich Zürich Switzerland, Biological Sciences Division Pacific Northwest National Laboratory Richland Washington USA] (ORCID:0000000278506402)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1354-1013","other_identifiers":["Journal ID: ISSN 1354-1013; e17127"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301804"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301804"}]}, {"osti_id":"2318602","title":"Probing the origin of the two-component structure of broad-line region by reverberation mapping of an extremely variable quasar","doi":"10.1093/mnras/stae319","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 529 Journal Issue: 1","description":"<title>ABSTRACT<\/title>\n <p>The physical origins of quasar components, such as the broad-line region (BLR) and dust torus, remain under debate. To gain insights into them, we focused on changing-state quasars (CSQs) which provide a unique perspective through structural changes associated with accretion disc state transitions. We targeted SDSS J125809.31+351943.0, an extremely variable CSQ, to study its central core structure and kinematics. We conducted reverberation mapping with optical spectroscopy to explore the structure of the BLR and estimate the black hole mass. The results from Hβ reverberation mapping indicated a black hole mass of $10^{9.64^{+0.11}_{-0.20}}\\rm {M_\\odot }$. Additionally, we analysed variations in the optical to X-ray spectral indices, αox, before and after the state transition, to investigate the accretion disc. These variations in αox and the Eddington ratio (from 0.4  per cent to 2.4  per cent) exhibitied behaviour similar to state transitions observed in X-ray binary systems. Spectral analysis of Hβ revealed a predominantly double-peaked profile during dim periods, transitioning to include a single-peaked component as the quasar brightened, suggesting that Hβ contains a mixture of two components. Each of these components has its distinct characteristics: the first is a double-peaked profile that remains stable despite changes in the accretion rate, while the second is a variable single-peaked profile. Using time-lags from reverberation mapping, we estimated the spatial relationships between these BLR components, the accretion disc, and the dust torus. Our results suggest that the BLR consists of two distinct components, each differing in location and origin.<\/p>","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"1","journal_volume":"529","format":"Medium: X; Size: p. 393-408","authors":["Nagoshi, Shumpei (ORCID:0000000326504322)","Iwamuro, Fumihide (ORCID:0000000274192629)","Yamada, Satoshi (ORCID:0000000297543081)","Ueda, Yoshihiro (ORCID:0000000178216715)","Oikawa, Yuto","Otsuka, Masaaki (ORCID:0000000170760310)","Isogai, Keisuke (ORCID:0000000264803799)","Mineshige, Shin"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318602"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318602"}]}, {"osti_id":"2294138","title":"A Ruthenophosphanorcaradiene as a Synthon for an Ambiphilic Metallophosphinidene","doi":"10.1021/jacs.3c14779","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society Journal Volume: 146 Journal Issue: 7","description":"Reaction of the ruthenium carbene complex Cp*(IPr)RuCl (1) (IPr = 1,3-bis(Dipp)imidazol-2-ylidene; Dipp = 2,6- diisopropylphenyl) with sodium phosphaethynolate (NaOCP) led to intramolecular dearomatization of one of the Dipp substituents on the Ru-bound carbene to afford a Ru-bound phosphanorcaradiene, 2. Computations by DFT reveal a transition state characterized by a concerted process whereby CO migrates to the Ru center as the P atom adds to the π system of the aryl group. The phosphanorcaradiene possesses ambiphilic properties and reacts with both nucleophilic and electrophilic substrates, resulting in rearomatization of the ligand aryl group with net P atom transfer to give several unusual metal-bound, P-containing main-group moieties. These new complexes include a metallo-1-phospha-3-azaallene (Ru P C NR), a metalloiminophosphanide (Ru P N R), and a metallophosphaformazan (Ru P( N N CPh<sub>2<\/sub>)<sub>2<\/sub>). Reaction of 2 with the carbene 2,3,4,5-tetramethylimidazol-2- ylidene (IMe<sub>4<\/sub>) produced the corresponding phosphaalkene DippP IMe<sub>4<\/sub>.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of the American Chemical Society","journal_issue":"7","journal_volume":"146","format":"Medium: X; Size: p. 4369-4374","authors":["Saint-Denis, Tyler G. [Department of Chemistry, University of California, Berkeley, Berkeley, California 94720-1460, United States] (ORCID:0000000291522415)","Wheeler, T. Alexander [Department of Chemistry, University of California, Berkeley, Berkeley, California 94720-1460, United States] (ORCID:0000000342946817)","Chen, Qingchuan [Department of Chemistry, University of California, Berkeley, Berkeley, California 94720-1460, United States]","Balázs, Gábor [Department of Inorganic Chemistry, University of Regensburg, 93040 Regensburg, Germany]","Settineri, Nicholas S. [Department of Chemistry, University of California, Berkeley, Berkeley, California 94720-1460, United States] (ORCID:000000030272454X)","Scheer, Manfred [Department of Inorganic Chemistry, University of Regensburg, 93040 Regensburg, Germany] (ORCID:0000000321825020)","Tilley, T. Don [Department of Chemistry, University of California, Berkeley, Berkeley, California 94720-1460, United States] (ORCID:0000000266719099)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Chemical reactions","Group 15 compounds","Hydrocarbons","Ligands","Metals"],"article_type":"Published Article","doe_contract_number":"AC02- 05CH11231; AC02-05CH11231; CHE-1954808","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","National Science Foundation (NSF)"],"orgs_research":[{"name":"University of California, Berkeley, CA (United States)"}],"research_orgs":["University of California, Berkeley, CA (United States)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294138"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294138"}]}, {"osti_id":"2294129","title":"Field Testing of a Mixed Potential IoT Sensor Platform for Methane Quantification","doi":"10.1149/2754-2726/ad23df","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: ECS Sensors Plus Journal Volume: 3 Journal Issue: 1","description":"<p>\n Emissions of CH\n <sub>4<\/sub>\n from natural gas infrastructure must urgently be addressed to mitigate its effect on global climate. With hundreds of thousands of miles of pipeline in the US used to transport natural gas, current methods of surveying for leaks are inadequate. Mixed potential sensors are a low cost, field deployable technology for remote and continuous monitoring of natural gas infrastructure. We demonstrate for the first time a field trial of a mixed potential sensor device coupled with machine learning and internet-of-things platform at Colorado State University’s Methane Emissions Technology Evaluation Center (METEC). Emissions were detected from a simulated buried underground pipeline source. Sensor data was acquired and transmitted from the field test site to a remote cloud server. Quantification of concentration as a function of vertical distance is consistent with previously reported transport modelling efforts and experimental surveys of methane emissions by more sophisticated CH\n <sub>4<\/sub>\n analyzers.\n <\/p>\n <p>\n <inline-formula>\n <inline-graphic href=\'ecsspad23df-ga.jpg\' type=\'simple\'/>\n <\/inline-formula>\n <\/p>","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"ECS Sensors Plus","journal_issue":"1","journal_volume":"3","format":"Medium: X; Size: Article No. 011402","authors":["Halley, Sleight (ORCID:0000000328329433)","Ramaiyan, Kannan (ORCID:0000000302047550)","Smith, James (ORCID:0009000859189377)","Ian, Robert (ORCID:0009000913038562)","Agi, Kamil (ORCID:0000000259398063)","Garzon, Fernando (ORCID:0000000245119932)","Tsui, Lok-kun (ORCID:0000000173810686)"],"subjects":["03 NATURAL GAS"],"article_type":"Published Article","doe_contract_number":"FE0031864","orgs_sponsor":[{"name":"USDOE Office of Fossil Energy (FE), Oil & Natural Gas"}],"sponsor_orgs":["USDOE Office of Fossil Energy (FE), Oil & Natural Gas"],"orgs_research":[{"name":"Univ. of New Mexico, Albuquerque, NM (United States)"}],"research_orgs":["Univ. of New Mexico, Albuquerque, NM (United States)"],"journal_issn":"ISSN 2754-2726","other_identifiers":["Journal ID: ISSN 2754-2726"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294129"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294129"}]}, {"osti_id":"2305806","title":"Theory and modeling of molecular modes in the NMR relaxation of fluids","doi":"10.1063/5.0180040","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Chemical Physics; Journal Volume: 160; Journal Issue: 6","description":"Traditional theories of the nuclear magnetic resonance (NMR) autocorrelation function for intra-molecular dipole pairs assume a single-exponential decay, yet the calculated autocorrelation of realistic systems displays a rich, multi-exponential behavior, resulting in anomalous NMR relaxation dispersion (i.e., frequency dependence). We develop an approach to model and interpret the multi-exponential intra-molecular autocorrelation using simple, physical models within a rigorous statistical mechanical development that encompasses both rotational diffusion and translational diffusion in the same framework. Here, we recast the problem of evaluating the autocorrelation in terms of averaging over a diffusion propagator whose evolution is described by a Fokker–Planck equation. The time-independent part admits an eigenfunction expansion, allowing us to write the propagator as a sum over modes. Each mode has a spatial part that depends on the specified eigenfunction and a temporal part that depends on the corresponding eigenvalue (i.e., correlation time) with a simple, exponential decay. The spatial part is a probability distribution of the dipole pair, analogous to the stationary states of a quantum harmonic oscillator. Drawing inspiration from the idea of inherent structures in liquids, we interpret each of the spatial contributions as a specific molecular mode. These modes can be used to model and predict the NMR dipole–dipole relaxation dispersion of fluids by incorporating phenomena on the molecular level. We validate our statistical mechanical description of the distribution in molecular modes with molecular dynamics simulations interpreted without any relaxation models or adjustable parameters: the most important poles in the Padé–Laplace transform of the simulated autocorrelation agree with the eigenvalues predicted by the theory","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Journal of Chemical Physics","journal_issue":"6","journal_volume":"160","format":"Medium: ED; Size: Article No. 064108","authors":["Pinheiro dos Santos, Thiago José [Rice Univ., Houston, TX (United States)] (ORCID:0000000269499087)","Orcan-Ekmekci, Betul [Rice Univ., Houston, TX (United States)] (ORCID:0000000202357025)","Chapman, Walter G. [Rice Univ., Houston, TX (United States)] (ORCID:0000000287899041)","Singer, Philip M. [Rice Univ., Houston, TX (United States)] (ORCID:000000030061112X)","Asthagiri, Dilipkumar N. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000158690807)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"}],"sponsor_orgs":["USDOE Office of Science (SC)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 0021-9606","other_identifiers":["Journal ID: ISSN 0021-9606"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305806"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305806"}]}, {"osti_id":"2311845","title":"Perturbed Ion Temperature and Toroidal Flow Profile Measurements in Rotating Neoclassical Tearing Mode Magnetic Islands","doi":"10.1103/physrevlett.132.065107","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters; Journal Volume: 132; Journal Issue: 6","description":"The perturbed ion temperature and toroidal flow were measured in rotating Neoclassical Tearing Modes (NTM) in a tokamak for the first time. These toroidally and radially resolved profiles were obtained by impurity ion spectroscopy in a 2,1 NTM in DIII-D. In agreement with drift-kinetic simulations, the electron temperature profile is flat, while the ion temperature gradient is restored across the magnetic island O-point in the presence of fast ions; the perturbed flow has minima in the O-points and maxima at the X-points. Furthermore, these measurements provide the first confirmation of the theoretically expected ion temperature and flow response to a magnetic island needed to predict the NTM on set threshold scaling for ITER and other future tokamaks.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review Letters","journal_issue":"6","journal_volume":"132","format":"Medium: ED; Size: Article No. 065107","authors":["Bardóczi, L. [General Atomics, San Diego, CA (United States); University of California, Irvine, CA (United States)] (ORCID:0000000282802423)","Dudkovskaia, A. [University of York (United Kingdom)] (ORCID:0000000168903079)","La Haye, R. J. [General Atomics, San Diego, CA (United States)]","Callen, J. D. [University of Wisconsin-Madison, WI (United States)]","Chrystal, C. [General Atomics, San Diego, CA (United States)] (ORCID:0000000330498658)","Podesta, M. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)]"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","Magnetic confinement fusion","Magnetic reconnection","Plasma instabilities","Plasma stability"],"article_type":"Accepted Manuscript","doe_contract_number":"FC02-04ER54698; AC02-09CH11466","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[{"name":"General Atomics, San Diego, CA (United States)"}],"research_orgs":["General Atomics, San Diego, CA (United States)"],"journal_issn":"ISSN 0031-9007","other_identifiers":["Journal ID: ISSN 0031-9007"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311845"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311845"}]}, {"osti_id":"2294148","title":"Apparent fine tunings for field theories with broken space-time symmetries","doi":"10.21468/SciPostPhys.16.2.045","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: SciPost Physics Journal Volume: 16 Journal Issue: 2","description":"<p>We exhibit a class of effective field theories that have hierarchically small Wilson coefficients for operators that are not protected by symmetries but are not finely tuned. These theories possess bounded target spaces and vacua that break space-time symmetries. We give a physical interpretation of these theories as generalized solids with open boundary conditions. We show that these theories realize unusual RG flows where higher dimensional (seemingly irrelevant) operators become relevant even at weak coupling. Finally, we present an example of a field theory whose vacuum energy relaxes to a hierarchically small value compared to the UV cut-off.<\/p>","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Stichting SciPost","journal_name":"SciPost Physics","journal_issue":"2","journal_volume":"16","format":"Medium: X","authors":["Nicolis, Alberto","Rothstein, Ira Z."],"article_type":"Published Article","doe_contract_number":"FG02-04ER41338; SC011941; FG02-06ER41449","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2542-4653","other_identifiers":["Journal ID: ISSN 2542-4653; 045"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294148"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294148"}]}, {"osti_id":"2311611","title":"Revealing the unusual rate-dependent mechanical behaviors of nematic liquid crystal elastomers","report_number":"SAND-2024-01619J","doi":"10.1016/j.ijsolstr.2024.112712","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: International Journal of Solids and Structures; Journal Volume: 292; Journal Issue: 1","description":"Liquid crystal elastomers (LCEs) exhibit unique mechanical properties of soft elasticity and enhanced energy dissipation with rate dependency. They are potentially transformative materials for applications in mechanical impact mitigation and vibration isolation. However, previous studies have primarily focused on the mechanics of LCEs under equilibrium and quasistatic loading conditions. Critical knowledge gaps exist in understanding their rate-dependent behaviors, which are a complex mixture of traditional network viscoelasticity and the soft elastic behaviors with changes in the mesogen orientation and order parameter. Together, these inelastic mechanisms lead to unusual rate-dependent energy absorption responses of LCEs. In this work, we developed a viscoelastic constitutive theory for monodomain nematic LCEs to investigate how multiple underlying sources of inelasticity manifest in the rate-dependent and dissipative behaviors of monodomain LCEs. Here, the theoretical modeling framework combines the neo-classical network theory with evolution rules for the mesogen orientation and order parameter with conventional viscoelasticity. The model is calibrated with uniaxial tension and compression data spanning six decades of strain rates. The established 3D constitutive model enables general loading predictions taking the initial mesogen orientation and order parameter as inputs. Additionally, parametric studies were performed to further understand the rate dependence of monodomain LCEs in relation to their energy absorption characteristics. Based on the parametric studies, particularly loading scenarios are identified as conditions where LCEs outperform conventional elastomers regarding energy absorption.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Elsevier","journal_name":"International Journal of Solids and Structures","journal_issue":"1","journal_volume":"292","format":"Medium: ED; Size: Article No. 112712","authors":["Chung, Christopher [Univ. of Colorado, Denver, CO (United States)]","Luo, Chaoqian [Univ. of Colorado, Denver, CO (United States)]","Yakacki, Christopher M. [Univ. of Colorado, Denver, CO (United States)]","Song, Bo [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)]","Long, Kevin Nicholas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)]","Yu, Kai [Univ. of Colorado, Denver, CO (United States)]"],"subjects":["42 ENGINEERING","mesogen rotation","nematic director","mesogen order parameter","liquid crystal elastomers","viscoelasticity","energy dissipation","constitutive modeling"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525; CMMI-2046611","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program","National Science Foundation (NSF)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0020-7683","other_identifiers":["Journal ID: ISSN 0020-7683"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311611"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311611"}]}, {"osti_id":"2294146","title":"Collateral benefits: River flow normalization for endangered fish enabled riparian rejuvenation","doi":"10.1002/rra.4255","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: River Research and Applications","description":"<title>Abstract<\/title>\n <p>Like most rivers worldwide, the transboundary North American Kootenay/i River has experienced multiple impacts including watershed developments, river channelization, and floodplain clearing, draining, and diking. Construction of Libby Dam was authorized by the 1964 Columbia River Treaty (CRT) between the United States and Canada, and in 1975 began regulating downstream flows for flood risk management and hydropower generation. Following cumulative impacts, the endemic Kootenai River White Sturgeon population collapsed and was designated as endangered in 1994 (U.S. Endangered Species Act). Subsequent Biological Opinions from the U.S. Fish and Wildlife Service prescribed Libby Dam operations to provide springtime flow pulses for sturgeon spawning. These provided the unanticipated benefit of substantial seedling recruitment of native and introduced riparian cottonwoods and willows. The regulated flow regime was further adaptively managed to provide a more normative (natural) regime, to balance ecological functions with flood risk management and hydropower generation. The broadened ecological considerations would be consistent with the proposed priorities for the modernization of the international CRT. The observed responses revealed that (1) diverse aquatic and riparian organisms are dependent on common river flow characteristics; (2) a normalized flow regime provided substantial ecological benefits; and (3) due to multiple influences, hybrid ecosystems develop along regulated rivers, with a blending of natural and altered processes and communities. For other regulated rivers, we recommend that (1) high springtime flows be allowed, as feasible; (2) followed by the gradual post‐peak recession; and (3) the maintenance of sufficient flows through the warm and dry interval of mid to late summer.<\/p>","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"River Research and Applications","format":"Medium: X","authors":["Rood, Stewart B. [Environmental Science Program University of Lethbridge Lethbridge Alberta Canada] (ORCID:0000000313401172)","Hoffman, Gregory C. [United States Army Corps of Engineers Libby Montana USA]","Merz, Norm [Idaho Fish and Game Coeur d\'Alene Idaho USA]","Anders, Paul [Formerly, Adjunct Aquatic biologist, University of Idaho Moscow Idaho USA]","Benjankar, Rohan [Civil Engineering Department Southern Illinois University Edwardsville Illinois USA] (ORCID:0000000260188186)","Burke, Michael [Inter‐Fluve, Inc. Damariscotta Maine USA]","Egger, Gregory [Department of Wetland Ecology Karlsruhe Institute of Technology Karlsruhe Germany] (ORCID:0000000221439931)","Polzin, Mary Louise [Environmental Science Program University of Lethbridge Lethbridge Alberta Canada]","Soults, Scott [Fish and Wildlife Department Kootenai Tribe of Idaho Bonners Ferry Idaho USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1535-1459","other_identifiers":["Journal ID: ISSN 1535-1459; rra.4255"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294146"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294146"}]}, {"osti_id":"2294137","title":"<scp>Ultra‐high<\/scp>\n molecular weight polyethylene\n <scp>micro‐ribbon<\/scp>\n fibers gel spun using orange terpenes","doi":"10.1002/pen.26656","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Polymer Engineering and Science","description":"<title>Abstract<\/title>\n <sec>\n <label/>\n <p>Toxic, hazardous petrochemical solvents are commonly used for industrial‐scale ultra‐high molecular weight polyethylene (UHMWPE) fiber production, but orange terpenes, a byproduct of orange fruit production, present a bio‐derived, sustainable alternative. In this work, fine UHMWPE fibers were spun using orange terpenes as the spin solvent, hot‐drawn at a draw ratio of 5:1, investigated for their morphology, microstructure, and thermal and mechanical properties. The resulting fibers exhibited a flat, micro‐ribbon cross‐section, which is highly desirable for achieving high fiber volume fractions in UHMWPE‐fiber reinforced composites. After drawing, the fibers possessed 4× greater breaking tenacity than any previously published studies on UHMWPE fibers spun using orange terpenes with a tenacity of 8.6 cN/dtex and tensile modulus of 229.2 cN/dtex. Microstructural analysis via differential scanning calorimetry and X‐ray diffraction revealed that the hot drawing process significantly increased molecular orientation, but crystallinity decreased due to crystallite melting during drawing. Therefore, the mechanical properties of these fibers may be significantly improved with optimization of the fiber drawing process. This work establishes the strong potential of orange terpenes as an environmentally‐friendly alternative solvent for UHMWPE gel spinning and sets a foundation for future parametric optimization of the spinning and drawing of these fibers.<\/p>\n <\/sec>\n <sec>\n <title>Highlights<\/title>\n <p>\n <list list-type=\'bullet\'>\n <list-item>\n <p>Micro‐ribbon ultra‐high molecular weight polyethylene fibers were prepared using bio‐solvent orange terpenes.<\/p>\n <\/list-item>\n <list-item>\n <p>Flat profile enables tight packing, aspect ratio maintained after drawing.<\/p>\n <\/list-item>\n <list-item>\n <p>Drawn fibers were 4× stronger than any previous work with orange terpenes.<\/p>\n <\/list-item>\n <list-item>\n <p>Near‐melt drawing reduced crystallinity, improved molecular alignment.<\/p>\n <\/list-item>\n <\/list>\n <\/p>\n <\/sec>","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Polymer Engineering and Science","format":"Medium: X","authors":["Brown, Kenneth R. [Department of Mechanical and Aerospace Engineering University of Virginia Charlottesville Virginia USA] (ORCID:0000000240302826)","Love‐Baker, Cole [Department of Mechanical and Aerospace Engineering University of Virginia Charlottesville Virginia USA] (ORCID:0000000265167552)","Xue, ZhiJing [Department of Mechanical and Aerospace Engineering University of Virginia Charlottesville Virginia USA]","Li, Xiaodong [Department of Mechanical and Aerospace Engineering University of Virginia Charlottesville Virginia USA] (ORCID:0000000257123074)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"DE‐EE0009239","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0032-3888","other_identifiers":["Journal ID: ISSN 0032-3888; pen.26656"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294137"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294137"}]}, {"osti_id":"2318472","title":"Data for \"Divergent urban land trajectories under alternative population projections within the shared socioeconomic pathways\"","doi":"10.57931/2318472","product_type":"Dataset","language":"English","country_publication":"United States","description":"Datasets supporting findings and visualizations behind McManamay et al. (2024) Divergent urban land trajectories under alternative population projections within the shared socioeconomic pathways. Environmental Research Letters, DOI: 10.1088/1748-9326/ad2eec Using a spatial modeling experiment at high resolution (1-km), this study compared how two alternative US population projections,  varying in the spatially explicit nature of demographic patterns and migration, affect urban land dynamics simulated by the Spatially Explicit, Long-term, Empirical City development (SELECT) model for SSP2, SSP3, and SSP5.   The numerical experiment, inputs and outputs are fully described in McManamay et al. (2024). The datasets summarize SELECT model simulations within urban areas and rural areas of the conterminous United States.  For code to reproduce the results, please refer to https://github.com/IMMM-SFA/mcmanamay_etal_2024_erl Please refer to the README file provided in Files for more details. Descriptions of the datasets are provided below. Dataset(s) Descriptions: Urban_Land_delta_UA_County.csv:   Urban land area for original (default) population, updated population, and urban land delta (difference between the two) according to Shared Socioeconomic Pathways (SSPs) and year.  Urban land is summarized for U.S. counties (FIPS code) and urban areas (GEOID) as unique areas within various counties. JO_Gao_pop_ufdelta.csv:  Comparison of population differences and urban land differences between the origial (default) and updated population projections.  City_Case_studies.csv:  Differences in urban land areas arising from different population projections summarized for selected cities (Atlanta, Los Angeles, Houston, and New York) and their surrounding rural areas UA_county_FID.zip:   Zipped folder of .tiff file depicting unique combination of urban areas and US counties used for summarizing urban land differences in urban and rural areas based on different population projections. ULD_clusters.zip:   Zipped folder of .csv files depicting normalized changes in urban land delta (difference in urban land arising from population projections) and the respective  Ward\'s hierarchical clusters, which group urban and rural areas based on similarities in temporal trends.   Urban_Percent_change_2100.zip:  Zipped folder of .csv files depicting percent changes in urban land area for year 2100 based on differences in the original (default) population and updated population.  Each file is for SSPs and urban or rural areas.  ","publication_date":"2024-03-04T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","authors":["McManamay, Ryan [Baylor University] (ORCID:0000000255513140)","Vernon, Chris [Pacific Northwest National Laboratory] (ORCID:0000000234066214)","Thurber, Travis [Pacific Northwest National Laboratory]","Gao, Jing [University of Delaware]","O\'Neill, Brian [Pacific Northwest National Laboratory]"],"subjects":["Population","Land","Urban"],"doe_contract_number":"80478","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"MultiSector Dynamics - Living, Intuitive, Value-adding, Environment"}],"research_orgs":["MultiSector Dynamics - Living, Intuitive, Value-adding, Environment"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318472"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2318472"},{"rel":"citation_doe_dataexplorer","href":"https://www.osti.gov/dataexplorer/biblio/dataset/2318472"}]}, {"osti_id":"2320335","title":"Uncertainty quantification and propagation in lithium-ion battery electrodes using bayesian convolutional neural networks","report_number":"SAND-2024-02784J","doi":"10.1016/j.ensm.2024.103251","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Energy Storage Materials; Journal Volume: 67; Journal Issue: 1","description":"The complex nature of manufacturing processes stipulates electrodes to possess high variability with increased heterogeneity during production. X-ray computed tomography imaging has proved to be critical in visualizing the complicated stochastic particle distribution of as-manufactured electrodes in lithium-ion batteries. However, accurate prediction of their electrochemical performance necessitates precise evaluation of kinetic and transport properties from real electrodes. Image segmentation that characterizes voxels to particle/pore phase is often meticulous and fraught with subjectivity owing to a myriad of unconstrained choices and filter algorithms. Here we utilize a Bayesian convolutional neural network to tackle segmentation subjectivity and quantify its pertinent uncertainties. Otsu inter-variance and Blind/Referenceless Imaging Spatial Quality Evaluator are used to assess the relative image quality of grayscale tomograms, thus evaluating the uncertainty in the derived microstructural attributes. We analyze how image uncertainty is correlated with the uncertainties and magnitude of kinetic and transport properties of an electrode, further identifying pathways of uncertainty propagation within microstructural attributes. The coupled effect of spatial heterogeneity and microstructural anisotropy on the uncertainty quantification of transport parameters is also understood. This work demonstrates a novel methodology to extract microstructural descriptors from real electrode images through quantification of associated uncertainties and discerning the relative strength of their propagation, thus facilitating feedback to manufacturing processes from accurate image based electrochemical simulations.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Elsevier","journal_name":"Energy Storage Materials","journal_issue":"1","journal_volume":"67","format":"Medium: ED; Size: Article No. 103251","authors":["Norris, Chance Adison [Purdue University, West Lafayette, IN (United States)]","Ayyaswamy, Abhinand [Purdue University, West Lafayette, IN (United States)]","Vishnugopi, Bairav S. [Purdue University, West Lafayette, IN (United States)]","Martinez, Carianne [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Roberts, Scott A. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000241966771)","Mukherjee, Partha P. [Purdue University, West Lafayette, IN (United States)] (ORCID:0000000179007261)"],"subjects":["lithium-ion battery","graphite electrode","uncertainty quantification","deep learning","effective electrode property"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 2405-8297","other_identifiers":["Journal ID: ISSN 2405-8297"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320335"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320335"}]}, {"osti_id":"2294117","title":"Non-Schmid effects in a model refractory multi-principal element alloy: phase-field dislocation dynamics informed by atomistic simulations","report_number":"LA-UR-23-25494","doi":"10.1080/21663831.2024.2313104","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Materials Research Letters Journal Volume: 12 Journal Issue: 3","description":"Non-Schmid effects in a representative refractory multi-principal element alloy (MPEA), MoNbTi, are investigated using molecular statics (MS) and phase field dislocation dynamics (PFDD). In addition to imposing a statistical distribution for the energetic barrier to slip, incorporating properties of the screw dislocation core is critical in capturing the wide range of MS-predicted non-Schmid effects. PFDD energy terms are enhanced to better capture the varying screw dislocation core-widths under loading as informed by MS. These enhancements demonstrate that incorporating the details of screw dislocation cores, in different chemical environments, has the strongest effect on representing the MS-predicted range of non-Schmid effects.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Informa UK Limited","journal_name":"Materials Research Letters","journal_issue":"3","journal_volume":"12","format":"Medium: X; Size: p. 190-198","authors":["Kim, Hyojung [X Computational Physics Division, Los Alamos National Laboratory, Los Alamos, NM, USA]","Mathew, Nithin [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, USA]","Luscher, Darby J. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, USA]","Hunter, Abigail [X Computational Physics Division, Los Alamos National Laboratory, Los Alamos, NM, USA]"],"subjects":["36 MATERIALS SCIENCE","multi-principal element alloy","Phase field modeling","non-Schmid effect","Peierls stress","Molecular statics","dislocations"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 2166-3831","other_identifiers":["Journal ID: ISSN 2166-3831; 4"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294117"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294117"}]}, {"osti_id":"2310909","title":"Improved stellarator permanent magnet designs through combined discrete and continuous optimizations","doi":"10.1016/j.cpc.2024.109127","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Computer Physics Communications; Journal Volume: 299","description":"A common optimization problem in the areas of magnetized plasmas and fusion energy is the design of magnets to produce a given three-dimensional magnetic field distribution to high precision. When designing arrays of permanent magnets for stellarator plasma confinement, such problems have tens of thousands of degrees of freedom whose solutions, for practical reasons, should be constrained to discrete spaces. We perform a direct comparison between two algorithms that have been developed previously for this purpose, and demonstrate that composite procedures that apply both algorithms in sequence can produce substantially improved results. One approach uses a continuous, quasi-Newton procedure to optimize the dipole moments of a set of magnets and then projects the solution onto a discrete space. The second uses an inherently discrete greedy optimization procedure that has been enhanced and generalized for this work. Further, the approaches are both applied to design arrays cubic rare-Earth permanent magnets to confine a quasi-axisymmetric plasma with a magnetic field on axis of 0.5 T. The first approach tends to find solutions with higher field accuracy, whereas the second can find solutions with substantially (up to 30%) fewer magnets. When the approaches are combined, they can obtain solutions with magnet quantities comparable to the second approach while matching the field accuracy of the first.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Elsevier","journal_name":"Computer Physics Communications","journal_volume":"299","format":"Medium: ED; Size: Article No. 109127","authors":["Hammond, K. C. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000211044434)","Kaptanoglu, A. A. [Univ. of Maryland, College Park, MD (United States); New York Univ. (NYU), NY (United States)] (ORCID:0000000263372907)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","Stellarator","Permanent magnet","Optimization","Plasma"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-09CH11466; FG02-93ER54197","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)"}],"research_orgs":["Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)"],"journal_issn":"ISSN 0010-4655","other_identifiers":["Journal ID: ISSN 0010-4655"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310909"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310909"}]}, {"osti_id":"2318524","title":"Melting anisotropy in crystalline solids","doi":"10.1103/physrevb.109.l060102","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 6","description":"Despite the long and extensive history of melting studies, experiments to determine the dependence of melting on crystal orientation are lacking. Using longitudinal sound speed measurements in aluminum single crystals shock compressed along < 100 > and < 110 > to 168 GPa, we address this need and show that the melting transition (both onset and completion) is strongly anisotropic. Furthermore, the present findings demonstrate the need to consider the role of deformation induced lattice defects on the melting transition and provide a general approach to examine melting anisotropy in crystalline solids.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"6","journal_volume":"109","format":"Medium: ED; Size: Article No. L060102","authors":["Renganathan, P. [Washington State University, Pullman, WA (United States)] (ORCID:000000015012806X)","Gupta, Y. M. [Washington State University, Pullman, WA (United States)] (ORCID:0000000226693015)"],"subjects":["Crystal melting","Liquid-solid phase transition","Phase diagrams","Shock waves","Single crystal materials","Hugoniot measurements","Interferometry"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003957","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Washington State Univ., Pullman, WA (United States)"}],"research_orgs":["Washington State Univ., Pullman, WA (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2318524"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2318524"}]}, {"osti_id":"2305815","title":"PeleMP: The Multiphysics Solver for the Combustion Pele Adaptive Mesh Refinement Code Suite","doi":"10.1115/1.4064494","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Fluids Engineering; Journal Volume: 146; Journal Issue: 4","description":"Combustion encompasses multiscale, multiphase reacting flow physics spanning a wide range of scales from the molecular scales, where chemical reactions occur, to the device scales, where the turbulent flow is affected by the geometry of the combustor. This scale disparity and the limited measurement capabilities from experiments make modeling combustion a significant challenge. Recent advancements in high-performance computing (HPC), particularly with the Department of Energy\'s Exascale Computing Project (ECP), have enabled high-fidelity simulations of practical applications to be performed. The major physics submodels, including chemical reactions, turbulence, sprays, soot, and thermal radiation, exhibit distinctive computational characteristics that need to be examined separately to ensure efficient utilization of computational resources. This paper presents the multiphysics solver for the Pele code suite, called PeleMP, which consists of models for spray, soot, and thermal radiation. Here, the mathematical and algorithmic aspects of the model implementations are described in detail as well as the verification process. The computational performance of these models is benchmarked on multiple supercomputers, including Frontier, an exascale machine. Results are presented from production simulations of a turbulent sooting ethylene flame and a bluff-body swirl stabilized spray flame with sustainable aviation fuels to demonstrate the capability of the Pele codes for modeling practical combustion problems with multiphysics. This work is an important step toward the exascale computing era for high-fidelity combustion simulations providing physical insights and data for predictive modeling of real-world devices.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"ASME","journal_name":"Journal of Fluids Engineering","journal_issue":"4","journal_volume":"146","format":"Medium: ED; Size: Article No. 041103","authors":["Owen, Landon D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)]","Ge, Wenjun [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000231135915)","Rieth, Martin [Sandia National Lab. (SNL-CA), Livermore, CA (United States)]","Arienti, Marco [Sandia National Lab. (SNL-CA), Livermore, CA (United States)]","Esclapez, Lucas [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:0000000224387292)","Soriano, Bruno S. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)]","Mueller, Michael E. [Princeton Univ., NJ (United States)] (ORCID:0000000256991275)","Day, Marcus [National Renewable Energy Laboratory (NREL), Golden, CO (United States)]","Sankaran, Ramanan [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000253529915)","Chen, Jacqueline H. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)]"],"subjects":["42 ENGINEERING","drops","flames","modeling","particulate matter","radiation (physics)","simulation","soot","sprays","combustion","turbulence","temperature"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; AC36-08GO28308; NA-0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Sandia National Lab. (SNL-CA), Livermore, CA (United States)"},{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Sandia National Lab. (SNL-CA), Livermore, CA (United States)","National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 0098-2202","other_identifiers":["Journal ID: ISSN 0098-2202"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305815"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305815"}]}, {"osti_id":"2305525","title":"Evidence for dissociation in shock-compressed methane","doi":"10.1103/physrevb.109.064102","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 6","description":"Theory and experiments show that with increasing pressure, the chemical bonds of methane rearrange, leading to the formation of complex polymers and then to dissociation. However, there is disagreement on the exact conditions where these changes take place. In this study, methane samples were precompressed in diamond-anvil cells and then shock compressed to pressures reaching 400 GPa, the highest pressures yet explored in methane. Furthermore, the results reveal a qualitative change in the Hugoniot curve at 80-150 GPa, which is interpreted as a signature of dissociation based on thermodynamic calculations and theoretical predictions.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"6","journal_volume":"109","format":"Medium: ED; Size: Article No. 064102","authors":["Tabak, G. [Laboratory for Laser Energetics, Rochester, NY (United States); University of Rochester, NY (United States)] (ORCID:0009000371340176)","Rygg, J. R. [Laboratory for Laser Energetics, Rochester, NY (United States); University of Rochester, NY (United States)] (ORCID:0000000206057847)","Millot, M. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000344143532)","Kim, Y. -J. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Hamel, S. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Celliers, P. M. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000176001227)","Fratanduono, D. E. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000302483627)","Ali, S. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Erskine, D. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:000000027094458X)","Boehly, T. R. [Laboratory for Laser Energetics, Rochester, NY (United States)] (ORCID:0009000253005342)","Suer, T. -A. [Laboratory for Laser Energetics, Rochester, NY (United States)] (ORCID:0000000220310888)","Dasenbrock-Gammon, N. [University of Rochester, NY (United States)] (ORCID:0000000202988513)","Dias, R. [University of Rochester, NY (United States)]","Zhang, S. [Laboratory for Laser Energetics, Rochester, NY (United States)] (ORCID:0000000195034964)","Hu, S. X. [Laboratory for Laser Energetics, Rochester, NY (United States); University of Rochester, NY (United States)] (ORCID:0000000324653818)","Hansen, L. E. [Laboratory for Laser Energetics, Rochester, NY (United States); University of Rochester, NY (United States)] (ORCID:0000000342215993)","Henderson, B. J. [Laboratory for Laser Energetics, Rochester, NY (United States); University of Rochester, NY (United States)]","Zaghoo, M. [Laboratory for Laser Energetics, Rochester, NY (United States)]","Ogawa, T. [Osaka University (Japan)]","Murayama, D. [Osaka University (Japan)] (ORCID:000900017624631X)","Miyanishi, K. [Osaka University (Japan); RIKEN SPring-8 Center, Hyogo (Japan)] (ORCID:0000000264773710)","Ozaki, N. [Osaka University (Japan)] (ORCID:0000000273209871)","Sano, T. [Osaka University (Japan)] (ORCID:0000000191063856)","Jeanloz, R. [University of California, Berkeley, CA (United States)] (ORCID:0000000235197929)","Hicks, D. G. [Swinburne University of Technology, Victoria (Australia)] (ORCID:0000000183229983)","Eggert, J. H. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000157307108)","Collins, G. W. [Laboratory for Laser Energetics, Rochester, NY (United States); University of Rochester, NY (United States)] (ORCID:0000000154366866)"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY","Equations of state","High-pressure studies","Shock waves"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003856; SC0020340; AC52-07NA27344; PHY2020249","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Univ. of Rochester, NY (United States)"}],"research_orgs":["Univ. of Rochester, NY (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305525"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305525"}]}, {"osti_id":"2322576","title":"Orbital angular momentum at small $x$ revisited","doi":"10.1007/jhep02(2024)060","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of High Energy Physics (Online); Journal Volume: 2024; Journal Issue: 2","description":"We revisit the problem of the small Bjorken-x asymptotics of the quark and gluon orbital angular momentum (OAM) distributions in the proton utilizing the revised small-x helicity evolution derived recently in [1]. We relate the quark and gluon OAM distributions at small x to the polarized dipole amplitudes and their (first) impact-parameter moments. To obtain the OAM distributions, we derive novel small-x evolution equations for the impact-parameter moments of the polarized dipole amplitudes in the double-logarithmic approximation (summing powers of α<sub>s<\/sub> ln<sup>2<\/sup>(1/x) with α<sub>s<\/sub> the strong coupling constant). We solve these evolution equations numerically and extract the leading large-N<sub>c<\/sub>, small-x asymptotics of the quark and gluon OAM distributions, which we determine to be ${L}_{q+\\overline{q}}\\left(x,{Q}^2\\right)\\sim {L}_G\\left(x,{Q}^2\\right)\\sim \\Delta \\Sigma \\left(x,{Q}^2\\right)\\sim \\Delta G\\left(x,{Q}^2\\right)\\sim {\\left(\\frac{1}{2}\\right)}^{3.66\\sqrt{\\frac{\\alpha_s{N}_c}{2_π}}}$in agreement with [2] within the precision of our numerical evaluation. (Here N<sub>c<\/sub> is the number of quark colors.) We also investigate the ratios of the quark and gluon OAM distributions to their helicity distribution counterparts in the small-x region.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Springer Nature","journal_name":"Journal of High Energy Physics (Online)","journal_issue":"2","journal_volume":"2024","format":"Medium: ED; Size: Article No. 60","authors":["Kovchegov, Yuri V. [The Ohio State Univ., Columbus, OH (United States)] (ORCID:0000000169909173)","Manley, Brandon [The Ohio State Univ., Columbus, OH (United States)] (ORCID:0000000321657821)"],"subjects":["deep inelastic scattering or small-x physics","parton distributions","resummation"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0004286","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[{"name":"The Ohio State Univ., Columbus, OH (United States). Office of Sponsored Programs"}],"research_orgs":["The Ohio State Univ., Columbus, OH (United States). Office of Sponsored Programs"],"journal_issn":"ISSN 1029-8479","other_identifiers":["Journal ID: ISSN 1029-8479"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322576"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2322576"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322576"}]}, {"osti_id":"2293610","title":"Scaled Production of Functionally Gradient Thin Films Using Slot Die Coating on a Roll-to-Roll System","doi":"10.1021/acsami.3c17558","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Applied Materials and Interfaces Journal Volume: 16 Journal Issue: 7","description":"Polymer thin films with a cross-web gradient structure is a burgeoning area of research, having received more attention in the last two decades, for improvements in the performance and material properties. Such patterned films have been fabricated using several techniques, but in practice these techniques are non-scalable, material-dependent, wasteful, and not highly efficient. Slot die coating, a well-known scalable manufacturing process, is used to fabricate gradient polymer thin films which will be investigated herein. By incorporating slot die with the custom roll-to-roll imaging system, gradient thin films are successfully fabricated by forcing two fluidic materials into the slot die simultaneously and by manipulating the viscous, diffusive, and inertial forces. The materials will be allowed to intermix, with the aim of having approximately a 50% mix along the centerline of any two contiguous stripes. Moreover, several characterizations such as FTIR, UV–vis spectroscopy, and SEM are performed to assess the quality of the gradient polymer thin films. The gradient structure fabricated using functional and nonfunctional materials has successfully improved the functional properties compared to fully blended two materials. This work will provide an understanding of the mechanisms to obtain gradient polymer thin-film structures that exhibit the desired geometric structure and performance.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Applied Materials and Interfaces","journal_issue":"7","journal_volume":"16","format":"Medium: X; Size: p. 9264-9274","authors":["Jeong, Tae-Joong [Woodruff School of Mechanical Engineering, Georgia Institute of Technology, 813 Ferst Dr., Atlanta, Georgia 30349, United States] (ORCID:0000000189709224)","Yu, Xiaoqing [Woodruff School of Mechanical Engineering, Georgia Institute of Technology, 813 Ferst Dr., Atlanta, Georgia 30349, United States]","Harris, Tequila A. L. [Woodruff School of Mechanical Engineering, Georgia Institute of Technology, 813 Ferst Dr., Atlanta, Georgia 30349, United States]"],"subjects":["36 MATERIALS SCIENCE","coating","thin film","gradient structure","slot die coating","roll-to-roll","functional materials","functional gradients","chemical structure","coating materials","conjugated polymers","fluids","thin films"],"article_type":"Published Article","doe_contract_number":"EE0008494; 1069138; CMMI MEP-1562255","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Georgia Institute of Technology, Atlanta, GA (United States)"}],"research_orgs":["Georgia Institute of Technology, Atlanta, GA (United States)"],"journal_issn":"ISSN 1944-8244","other_identifiers":["Journal ID: ISSN 1944-8244"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293610"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293610"}]}, {"osti_id":"2293611","title":"Advancing Molecular Weight Determination of Lignin by Multi-Angle Light Scattering","doi":"10.3390/polym16040477","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Polymers Journal Volume: 16 Journal Issue: 4","description":"<p>Due to the complexity and recalcitrance of lignin, its chemical characterization is a key factor preventing the valorization of this abundant material. Multi-angle light scattering (MALS) is becoming a sought-after technique for absolute molecular weight (MW) determination of polymers and proteins. Lignin is a suitable candidate for MW determination via MALS, yet further investigation is required to confirm its absolute MW values and molecular size. Studies aiming to break down lignin into a variety of renewable products will benefit greatly from a simple and reliable determination method like MALS. Recent pioneering studies, discussed in this review, addressed several key challenges in lignin’s MW characterization. Nevertheless, some lignin-specific issues still need to be considered for in-depth characterization. This study explores how MALS instrumentation manages the complexities of determining lignin’s MW, e.g., with simultaneous fractionation and fluorescence interference mitigation. Additionally, we rationalize the importance of a more detailed light scattering analysis for lignin characterization, including aspects like the second virial coefficient and radius of gyration.<\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"MDPI AG","journal_name":"Polymers","journal_issue":"4","journal_volume":"16","format":"Medium: X; Size: Article No. 477","authors":["Clobes, Mason L.","Kozliak, Evguenii I.","Kubátová, Alena (ORCID:0000000223185883)"],"article_type":"Published Article","doe_contract_number":"EE0009257","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2073-4360","other_identifiers":["Journal ID: ISSN 2073-4360; POLYCK; PII: polym16040477"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293611"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293611"}]}, {"osti_id":"2294121","title":"Distinct cellular expression and subcellular localization of Kv2 voltage‐gated K\n <sup>+<\/sup>\n channel subtypes in dorsal root ganglion neurons conserved between mice and humans","doi":"10.1002/cne.25575","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Comparative Neurology Journal Volume: 532 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>The distinct organization of Kv2 voltage‐gated potassium channels on and near the cell body of brain neurons enables their regulation of action potentials and specialized membrane contact sites. Somatosensory neurons have a pseudounipolar morphology and transmit action potentials from peripheral nerve endings through axons that bifurcate to the spinal cord and the cell body within ganglia including the dorsal root ganglia (DRG). Kv2 channels regulate action potentials in somatosensory neurons, yet little is known about where Kv2 channels are located. Here, we define the cellular and subcellular localization of the Kv2 paralogs, Kv2.1 and Kv2.2, in DRG somatosensory neurons with a panel of antibodies, cell markers, and genetically modified mice. We find that relative to spinal cord neurons, DRG neurons have similar levels of detectable Kv2.1 and higher levels of Kv2.2. In older mice, detectable Kv2.2 remains similar, while detectable Kv2.1 decreases. Both Kv2 subtypes adopt clustered subcellular patterns that are distinct from central neurons. Most DRG neurons co‐express Kv2.1 and Kv2.2, although neuron subpopulations show preferential expression of Kv2.1 or Kv2.2. We find that Kv2 protein expression and subcellular localization are similar between mouse and human DRG neurons. We conclude that the organization of both Kv2 channels is consistent with physiological roles in the somata and stem axons of DRG neurons. The general prevalence of Kv2.2 in DRG as compared to central neurons and the enrichment of Kv2.2 relative to detectable Kv2.1 in older mice, proprioceptors, and axons suggest more widespread roles for Kv2.2 in DRG neurons.<\/p>","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Journal of Comparative Neurology","journal_issue":"2","journal_volume":"532","format":"Medium: X","authors":["Stewart, Robert G. [Department of Physiology and Membrane Biology University of California, Davis Davis California USA] (ORCID:0009000354070346)","Camacena, Miriam [Department of Physiology and Membrane Biology University of California, Davis Davis California USA]","Copits, Bryan A. [Washington University Pain Center Washington University School of Medicine St. Louis Missouri USA, Department of Anesthesiology Washington University School of Medicine St. Louis Missouri USA]","Sack, Jon T. [Department of Physiology and Membrane Biology University of California, Davis Davis California USA, Department of Anesthesiology and Pain Medicine University of California, Davis Davis California USA]"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"DE‐AC02‐05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0021-9967","other_identifiers":["Journal ID: ISSN 0021-9967; e25575"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294121"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294121"}]}, {"osti_id":"2322545","title":"Bragg glass signatures in Pd<sub><em>x<\/em><\/sub>ErTe<sub>3<\/sub> with X-ray diffraction temperature clustering","doi":"10.1038/s41567-023-02380-1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nature Physics","description":"The Bragg glass phase is a nearly perfect crystal with glassy features predicted to occur in vortex lattices and charge-density-wave systems in the presence of disorder. Detecting it has been challenging, despite its sharp theoretical definition in terms of diverging correlation lengths. Here we present bulk probe evidence supporting a Bragg glass phase in the systematically disordered charge-density-wave material of Pd<sub>x<\/sub>ErTe<sub>3<\/sub>. We do this by using comprehensive X-ray data and a machine-learning-based analysis tool called X-ray diffraction temperature clustering (X-TEC). We establish a diverging correlation length in samples with moderate intercalation over a wide temperature range. To enable this analysis, we introduced a high-throughput measure of inverse correlation length that we call peak spread. The detection of Bragg glass order and the resulting phase diagram advance our understanding of the complex interplay between disorder and fluctuations. Moreover, the use of our analysis technique to target fluctuations through a high-throughput measure of peak spread can revolutionize the study of fluctuations in scattering experiments.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Nature Publishing Group (NPG)","journal_name":"Nature Physics","format":"Medium: ED","authors":["Mallayya, Krishnanand [Cornell Univ., Ithaca, NY (United States)]","Straquadine, Joshua [Stanford Univ., CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)] (ORCID:0000000165309541)","Krogstad, Matthew J. [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000285055945)","Bachmann, Maja D. [Stanford Univ., CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)]","Singh, Anisha G. [Stanford Univ., CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)]","Osborn, Raymond [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000195653140)","Rosenkranz, Stephan [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000256590383)","Fisher, Ian R. [Stanford Univ., CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)] (ORCID:0000000212787862)","Kim, Eun-Ah [Cornell Univ., Ithaca, NY (United States); Ewha Womans Univ., Seoul (Korea, Republic of)] (ORCID:0000000295544443)"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0018946; GBMF10436; AC02-76SF00515","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"Gordon and Betty Moore Foundation (GBMF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","Gordon and Betty Moore Foundation (GBMF)"],"orgs_research":[{"name":"Cornell Univ., Ithaca, NY (United States)"}],"research_orgs":["Cornell Univ., Ithaca, NY (United States)"],"journal_issn":"ISSN 1745-2473","other_identifiers":["Journal ID: ISSN 1745-2473"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322545"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2322545"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322545"}]}, {"osti_id":"2294157","title":"Quantitative trait locus (\n <scp>QTL<\/scp>\n ) mapping and transcriptome profiling identify\n <scp>QTLs<\/scp>\n and candidate genes associated with heat stress response during reproductive development in\n <i>Camelina sativa<\/i>","doi":"10.1002/fes3.531","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Food and Energy Security Journal Volume: 13 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n <italic>Camelina sativa<\/italic>\n (L.) Crantz is a low‐input oilseed crop that has great potential in providing sustainable feedstock for biofuels and bioproducts. Climate change is threatening production of camelina with rising global temperatures. Elucidating the genetic response to high temperatures is essential for successful breeding of heat‐tolerant camelina varieties. Here, we report a combinatorial approach to identifying candidate genes associated with heat stress by quantitative trait locus (QTL) mapping and comparative transcriptome profiling. A population of recombinant inbred lines (RILs) was grown in a controlled growth chamber under the high‐temperature regimes for 14 days beginning at the onset of the reproductive stage. Several traits related to seed production were evaluated at maturity. The QTL analysis identified several regions with co‐located traits on chromosomes 8, 10, and 12. Two RILs with contrasting phenotypic responses to heat stress were chosen for gene expression profiling via RNA sequencing. Multiple pathways and genes were found to be strongly affected by heat stress, and many genes expressed differently between the two RILs. Several genes identified within the QTL regions were considered strong candidates that may control heat tolerance during reproduction in camelina. These studies provide resources for future studies that may assist in improving the heat tolerance of camelina.\n <\/p>","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Food and Energy Security","journal_issue":"1","journal_volume":"13","format":"Medium: X","authors":["Smith, Brian E. [Department of Plant Sciences and Plant Pathology Montana State University Bozeman Montana USA]","Kemmer, Sunny [Department of Plant Sciences and Plant Pathology Montana State University Bozeman Montana USA]","Decker, Samuel [Department of Plant Sciences and Plant Pathology Montana State University Bozeman Montana USA]","Lu, Chaofu [Department of Plant Sciences and Plant Pathology Montana State University Bozeman Montana USA] (ORCID:0000000169017490)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2048-3694","other_identifiers":["Journal ID: ISSN 2048-3694; e531"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294157"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294157"}]}, {"osti_id":"2299512","title":"Stakeholder-driven carbon neutral pathways for Thailand and Bangkok: integrated assessment modeling to inform multilevel climate governance","report_number":"PNNL-SA-192420","doi":"10.3389/fenrg.2024.1335290","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Frontiers in Energy Research; Journal Volume: 12","description":"Thailand has established a target of carbon neutrality by 2050. Reaching this goal will require coordination and collaboration between stakeholders spanning sectors and scales, including energy system decision makers, land managers, and city planners. Robust decarbonization scenarios incorporating current plans and targets, additional measures needed, and trade-offs between strategies can help stakeholders make informed decisions in the face of uncertainty. Through iterative engagement with decision makers at the city and national levels, we develop and analyze carbon neutral scenarios for Thailand that incorporate Bangkok’s role using a global integrated assessment model. We find that Thailand can reach carbon neutrality through power sector decarbonization, energy efficiency improvements, widespread electrification, and advanced technologies including carbon capture and storage and hydrogen. Negative emissions technologies will also be needed to offset Thailand and Bangkok’s hardest-to-abate CO<sub>2<\/sub> emissions. Bangkok, as a major population and economic center, contributes significantly to Thailand’s energy demand and emissions and can therefore play an important role in climate change mitigation. Accordingly, our results underscore the importance of subnational climate action in meeting Thailand’s carbon neutral goal. Our analysis also indicates that without sustained land-based carbon sequestration, much more mitigation effort will be needed in Thailand’s energy sector, including at the subnational scale, to reach carbon neutrality. These insights can help stakeholders identify priorities, consider tradeoffs, and make decisions that will impact Bangkok and Thailand’s long-term climate change mitigation potential. This analysis demonstrates how stakeholder engagement in integrated assessment modeling can facilitate and inform multilevel climate governance.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Frontiers Research Foundation","journal_name":"Frontiers in Energy Research","journal_volume":"12","format":"Medium: ED; Size: Article No. 1335290","authors":["Waite, Taryn [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Pradhan, Bijay Bahadur [Thammasat University, Klong Nueng (Thailand)]","Winyuchakrit, Pornphimol [Thammasat University, Klong Nueng (Thailand)]","Khan, Zarrar [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Weber, Maridee [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Pressburger, Leeya [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000268502504)","Chaichaloempreecha, Achiraya [Thammasat University, Klong Nueng (Thailand)]","Rajbhandari, Salony [Thammasat University, Klong Nueng (Thailand)]","Pita, Piti [Thammasat University, Klong Nueng (Thailand)]","Westphal, Michael I. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); University of Maryland, College Park, MD (United States)]","Jonvisait, Abdullah [Thammasat University, Klong Nueng (Thailand)]","Jareemit, Daranee [Thammasat University, Klong Nueng (Thailand)]","Limmeechokchai, Bundit [Thammasat University, Klong Nueng (Thailand)]","Evans, Meredydd [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]"],"subjects":["29 ENERGY PLANNING, POLICY, AND ECONOMY","decarbonization","cities","Thailand","Bangkok","stakeholder"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"U.S.-ASEAN Smart Cities Partnership"}],"sponsor_orgs":["USDOE Office of Science (SC)","U.S.-ASEAN Smart Cities Partnership"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2296-598X","other_identifiers":["Journal ID: ISSN 2296-598X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2299512"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2299512"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2299512"}]}, {"osti_id":"2301655","title":"Hydrogen and the Global Energy Transition—Path to Sustainability and Adoption across All Economic Sectors","doi":"10.3390/en17040807","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Energies; Journal Volume: 17; Journal Issue: 4","description":"This perspective article delves into the critical role of hydrogen as a sustainable energy carrier in the context of the ongoing global energy transition. Hydrogen, with its potential to decarbonize various sectors, has emerged as a key player in achieving decarbonization and energy sustainability goals. This article provides an overview of the current state of hydrogen technology, its production methods, and its applications across diverse industries. By exploring the challenges and opportunities associated with hydrogen integration, we aim to shed light on the pathways toward achieving a sustainable hydrogen economy. Additionally, the article underscores the need for collaborative efforts among policymakers, industries, and researchers to overcome existing hurdles and unlock the full potential of hydrogen in the transition to a low-carbon future. Through a balanced analysis of the present landscape and future prospects, this perspective article aims to contribute valuable insights to the discourse surrounding hydrogen’s role in the global energy transition.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"MDPI","journal_name":"Energies","journal_issue":"4","journal_volume":"17","format":"Medium: ED; Size: 1-21","authors":["Cheekatamarla, Praveen [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000248827774)"],"subjects":["08 HYDROGEN","hydrogen","energy storage","energy carrier","green hydrogen","blue hydrogen","decarbonization"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1996-1073","other_identifiers":["Journal ID: ISSN 1996-1073"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301655"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2301655"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301655"}]}, {"osti_id":"2293619","title":"Experimental warming accelerates positive soil priming in a temperate grassland ecosystem","doi":"10.1038/s41467-024-45277-0","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Unravelling biosphere feedback mechanisms is crucial for predicting the impacts of global warming. Soil priming, an effect of fresh plant-derived carbon (C) on native soil organic carbon (SOC) decomposition, is a key feedback mechanism that could release large amounts of soil C into the atmosphere. However, the impacts of climate warming on soil priming remain elusive. Here, we show that experimental warming accelerates soil priming by 12.7% in a temperate grassland. Warming alters bacterial communities, with 38% of unique active phylotypes detected under warming. The functional genes essential for soil C decomposition are also stimulated, which could be linked to priming effects. We incorporate lab-derived information into an ecosystem model showing that model parameter uncertainty can be reduced by 32–37%. Model simulations from 2010 to 2016 indicate an increase in soil C decomposition under warming, with a 9.1% rise in priming-induced CO\n <sub>2<\/sub>\n emissions. If our findings can be generalized to other ecosystems over an extended period of time, soil priming could play an important role in terrestrial C cycle feedbacks and climate change.\n <\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Tao, Xuanyu","Yang, Zhifeng (ORCID:0009000777694505)","Feng, Jiajie (ORCID:0000000257978400)","Jian, Siyang (ORCID:0000000152861679)","Yang, Yunfeng","Bates, Colin T.","Wang, Gangsheng","Guo, Xue","Ning, Daliang (ORCID:0000000233685988)","Kempher, Megan L. (ORCID:0000000329929625)","Liu, Xiao Jun A. (ORCID:0000000204888591)","Ouyang, Yang","Han, Shun (ORCID:0000000254808326)","Wu, Linwei (ORCID:0000000266495072)","Zeng, Yufei","Kuang, Jialiang (ORCID:0000000194926151)","Zhang, Ya (ORCID:0000000217463437)","Zhou, Xishu","Shi, Zheng","Qin, Wei (ORCID:0000000308950126)","Wang, Jianjun (ORCID:0000000170397136)","Firestone, Mary K.","Tiedje, James M. (ORCID:0000000289926218)","Zhou, Jizhong (ORCID:0000000320140564)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1178; PII: 45277"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293619"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293619"}]}, {"osti_id":"2281931","title":"Effects of radiation damage on the yielding and fracture of nanowires","doi":"10.1039/D3NR06519G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nanoscale Journal Volume: 16 Journal Issue: 6","description":"<p>Irradiated nanowires\' strength can change with their diameter. Though damaged by radiation, defects get cleaned during loading, returning the nanowires to their pristine state. This suggests that radiation has little impact on their fracture behavior.<\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Nanoscale","journal_issue":"6","journal_volume":"16","format":"Medium: X; Size: p. 3071-3080","authors":["Vizoso, Daniel [Center for Integrated Nanotechnologies, Sandia National Laboratories, 1515 Eubank Blvd NE, Albuquerque, NM 87123, USA] (ORCID:0000000277336392)","Dingreville, Rémi [Center for Integrated Nanotechnologies, Sandia National Laboratories, 1515 Eubank Blvd NE, Albuquerque, NM 87123, USA] (ORCID:000000031613695X)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2040-3364","other_identifiers":["Journal ID: ISSN 2040-3364; NANOHL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281931"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281931"}]}, {"osti_id":"2293600","title":"Nucleosynthetic Analysis of Three-dimensional Core-collapse Supernova Simulations","doi":"10.3847/1538-4357/ad12b8","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 962 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n We study in detail the ejecta conditions and theoretical nucleosynthetic results for 18 three-dimensional core-collapse supernova (CCSN) simulations done by F\n <sc>ornax<\/sc>\n . Most of the simulations are carried out to at least 3 s after bounce, which allows us to follow their longer-term behaviors. We find that multidimensional effects introduce many complexities into the ejecta conditions. We see a stochastic electron fraction evolution, complex peak temperature distributions and histories, and long-tail distributions of the time spent within nucleosynthetic temperature ranges. These all lead to substantial variation in CCSN nucleosynthetic yields and differences from 1D results. We discuss the production of lighter\n <italic>α<\/italic>\n -nuclei, radioactive isotopes, heavier elements, and a few isotopes of special interest. Comparing pre-CCSN and CCSN contributions, we find that a significant fraction of elements between roughly Si and Ge are generally produced in CCSNe. We find that\n <sup>44<\/sup>\n Ti exhibits an extended production timescale as compared to\n <sup>56<\/sup>\n Ni, which may explain its different distribution and higher than previously predicted abundances in supernova remnants such as Cas A and SN1987A. We also discuss the morphology of the ejected elements. This study highlights the high-level diversity of ejecta conditions and nucleosynthetic results in 3D CCSN simulations and emphasizes the need for additional long-term (∼10 s) 3D simulations to properly address such complexities.\n <\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"1","journal_volume":"962","format":"Medium: X; Size: Article No. 71","authors":["Wang, Tianshu (ORCID:0000000200429873)","Burrows, Adam (ORCID:0000000230995024)"],"article_type":"Published Article","doe_contract_number":"SC0018297","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293600"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293600"}]}, {"osti_id":"2202847","title":"Di-Higgs signatures in neutral naturalness","report_number":"FERMILAB-PUB-23-472; arXiv:2310.02317","doi":"10.1007/jhep02(2024)050","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of High Energy Physics (Online); Journal Volume: 2024; Journal Issue: 2","description":"The Higgs boson was the last fundamental piece of the Standard Model to be experimentally confirmed. LHC is embarked in a quest to probe the possibility that this particle provides a portal to new physics. One front of this quest consists in measuring the interactions of the Higgs with itself and with other SM particles to a high precision. In a more exotic front, the LHC is searching for the possibility that a pair of Higgses (HH) is the evidence of a new resonance. Such resonances are predicted in models with extended Higgs sectors, extra dimensions, and in models with exotic bound states. In this paper we show how scalar quirks in Folded Supersymmetry can give rise to HH resonances. We point out a viable sector of the parameter space in which HH is the dominant decay channel for these <jats:italic>squirkonium<\/jats:italic> bound states. We found that future runs of the LHC could discover HH resonances in the range of 0.5–1.6 TeV under reasonable assumptions. Furthermore, for a given mass and width of the HH signal, the model predicts the branching ratio of the subsequent decay modes of the heavy resonance. Finding the extra decay modes in the predicted pattern can serve as a smoking gun to confirm the model.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Springer Nature","journal_name":"Journal of High Energy Physics (Online)","journal_issue":"2","journal_volume":"2024","format":"Medium: ED; Size: Article No. 50","authors":["Barela, Mario W. [São Paulo State University (Brazil)] (ORCID:0000000164235296)","Capdevilla, Rodolfo [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)] (ORCID:0000000201227704)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","hierarchy problem","other weak scale BSM models"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 1029-8479","other_identifiers":["Journal ID: ISSN 1029-8479; oai:inspirehep.net:2706001"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2202847"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2202847"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2202847"}]}, {"osti_id":"2293622","title":"One hundred priority questions for advancing seagrass conservation in Europe","doi":"10.1002/ppp3.10486","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Plants, People, Planet","description":"<sec>\n <title>Societal Impact Statement<\/title>\n <p>Seagrass ecosystems are of fundamental importance to our planet and wellbeing. Seagrasses are marine flowering plants, which engineer ecosystems that provide a multitude of ecosystem services, for example, blue foods and carbon sequestration. Seagrass ecosystems have largely been degraded across much of their global range. There is now increasing interest in the conservation and restoration of these systems, particularly in the context of the climate emergency and the biodiversity crisis. The collation of 100 questions from experts across Europe could, if answered, improve our ability to conserve and restore these systems by facilitating a fundamental shift in the success of such work.<\/p>\n <\/sec>\n <sec>\n <title>Summary<\/title>\n <p>Seagrass meadows provide numerous ecosystem services including biodiversity, coastal protection, and carbon sequestration. In Europe, seagrasses can be found in shallow sheltered waters along coastlines, in estuaries & lagoons, and around islands, but their distribution has declined. Factors such as poor water quality, coastal modification, mechanical damage, overfishing, land‐sea interactions, climate change and disease have reduced the coverage of Europe’s seagrasses necessitating their recovery. Research, monitoring and conservation efforts on seagrass ecosystems in Europe are mostly uncoordinated and biased towards certain species and regions, resulting in inadequate delivery of critical information for their management. Here, we aim to identify the 100 priority questions, that if addressed would strongly advance seagrass monitoring, research and conservation in Europe. Using a Delphi method, researchers, practitioners, and policymakers with seagrass experience from across Europe and with diverse seagrass expertise participated in the process that involved the formulation of research questions, a voting process and an online workshop to identify the final list of the 100 questions. The final list of questions covers areas across nine themes: Biodiversity & Ecology; Ecosystem services; Blue carbon; Fishery support; Drivers, Threats, Resilience & Response; Monitoring & Assessment; Conservation & Restoration; Governance, Policy & Management; and Communication. Answering these questions will fill current knowledge gaps and place European seagrass onto a positive trajectory of recovery.<\/p>\n <\/sec>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Plants, People, Planet","format":"Medium: X","authors":["Nordlund, Lina Mtwana [Natural Resources and Sustainable Development Department of Earth Sciences Uppsala University Sweden] (ORCID:0000000244502331)","Unsworth, Richard K. F. [Biosciences, Faculty of Science and Engineering Swansea University Wales UK, Bracka Industrial Estate Bridgend Wales UK] (ORCID:0000000300369724)","Wallner‐Hahn, Sieglind [Natural Resources and Sustainable Development Department of Earth Sciences Uppsala University Sweden] (ORCID:000000030010745X)","Ratnarajah, Lavenia [Integrated Marine Observing System Hobart Tasmania Australia, Global Ocean Observing System International Oceanographic Commission UNESCO Paris France]","Beca‐Carretero, Pedro [Instituto de Investigaciones Marinas Consejo Superior de Investigaciones Cientificas (IIM‐CSIC) Vigo Spain] (ORCID:0000000240006912)","Boikova, Elmira [Institute of Biology University of Latvia Latvia]","Bull, James C. [Biosciences, Faculty of Science and Engineering Swansea University Wales UK] (ORCID:0000000243736830)","Chefaoui, Rosa M. [Universidad Rey Juan Carlos Area of Biodiversity and Conservation Instituto de Investigación en Cambio Global (IICG‐URJC) Spain]","de los Santos, Carmen B. [Centre of Marine Sciences of Algarve (CCMAR) Portugal] (ORCID:000000027013494X)","Gagnon, Karine [Institute of Marine Research (IMR) His Norway] (ORCID:0000000209717740)","Garmendia, Joxe Mikel [AZTI‐ BRTA (Marine Research), Pasaia Spain] (ORCID:0000000294031777)","Gizzi, Francesca [MARE – Marine and Environmental Sciences Centre/ARNET ‐ Aquatic Research Network Agência Regional para o Desenvolvimento da Investigação Tecnologia e Inovação (ARDITI) Portugal] (ORCID:0000000194478694)","Govers, Laura L. [Conservation Ecology Group GELIFES The Netherlands AND Department of Coastal Systems University of Groningen Royal Netherlands Institute for Sea Research (NIOZ) The Netherlands]","Gustafsson, Camilla [Tvärminne Zoological Station Faculty of Biological and Environmental Sciences University of Helsinki Finland] (ORCID:0000000173083802)","Hineva, Elitsa [Institute of Oceanology Bulgarian Academy of Sciences Bulgaria] (ORCID:0000000295405267)","Infantes, Eduardo [Department of Biology and Environmental Sciences University of Gothenburg Kristineberg Sweden] (ORCID:0000000297249237)","Canning‐Clode, João [MARE – Marine and Environmental Sciences Centre/ARNET ‐ Aquatic Research Network Agência Regional para o Desenvolvimento da Investigação Tecnologia e Inovação (ARDITI) Portugal] (ORCID:0000000321436535)","Jahnke, Marlene [Department of Marine Sciences – Tjärnö Marine Laboratory University of Gothenburg Strömstad Sweden] (ORCID:000000017262315X)","Kleitou, Periklis [Marine and Environmental Research (MER) Lab Limassol Cyprus] (ORCID:0000000291684721)","Kennedy, Hilary [School of Ocean Sciences Bangor University Anglesey UK] (ORCID:0000000322902120)","Klayn, Stefania [Institute of Biodiversity and Ecosystem Research Bulgarian Academy of Sciences Bulgaria] (ORCID:0000000336108155)","Moller, Tiia [Estonian Marine Institute University of Tartu Tallinn Harjumaa Estonia] (ORCID:0000000324459978)","Monteiro, João [MARE – Marine and Environmental Sciences Centre/ARNET ‐ Aquatic Research Network Agência Regional para o Desenvolvimento da Investigação Tecnologia e Inovação (ARDITI) Portugal, Faculty of Life Sciences University of Madeira Portugal] (ORCID:0000000234016495)","Piñeiro‐Juncal, Nerea [ECOMARE – Laboratory for Innovation and Sustainability of Marine Biological Resources CESAM – Centre for Environmental and Marine Studies Department of Biology University of Aveiro Aveiro Portugal]","Ponis, Emanuele [ISPRA ‐ Italian Institute for Environmental Protection and Research Chioggia Italy] (ORCID:0000000161093931)","Papathanasiou, Vasillis [Fisheries Research Institute Greece] (ORCID:0000000218996972)","Poursanidis, Dimitris [Foundation for Research and Technology Hellas Institute of Applied and Computational Mathematics The Remote Sensing Lab Heraklion Greece] (ORCID:000000033228280X)","Pieraccini, Riccardo [Department of Biology Marine Biology Research Group Ghent University Ghent Belgium] (ORCID:0000000261225807)","Serrano, Oscar [Centro de Estudios Avanzados de Blanes Consejo Superior de Investigaciones Cientificas (CEAB‐CISC) Blanes Spain] (ORCID:0000000259730046)","Sousa, Ana. I. [ECOMARE – Laboratory for Innovation and Sustainability of Marine Biological Resources CESAM – Centre for Environmental and Marine Studies Department of Biology University of Aveiro Aveiro Portugal] (ORCID:0000000307835177)","Schäfer, Susanne [MARE – Marine and Environmental Sciences Centre/ARNET ‐ Aquatic Research Network Agência Regional para o Desenvolvimento da Investigação Tecnologia e Inovação (ARDITI) Portugal] (ORCID:0000000203440541)","Rossi, Francesca [Dipartimento di Ecologia Marina IntegrataGenoa Marine Centre (GMC) Stazione Zoologica Anton Dohrn Genoa Marine Center Genoa Italy] (ORCID:0000000319289193)","Storey, D. Sebastian [Carl von Ossietzky Universität Oldenburg Institute for Chemistry and Biology of the Marine Enviroment (ICBM) Germany] (ORCID:0009000543967494)","van Katwijk, Marieke M. [Department of Environmental Science Radboud Institute of Biological and Environmental Sciences Radboud University Nijmegen The Netherlands] (ORCID:0000000244825835)","Wall, Dave [National Biodiversity Data Centre Carriganore Co. Waterford Ireland]","Ward, Emma A. [Institute of Marine Sciences School of Biological Sciences University of Portsmouth UK]","Wilkes, Robert [Environmental Protection Agency Castlebar, Co. Mayo Ireland] (ORCID:0000000229439020)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2572-2611","other_identifiers":["Journal ID: ISSN 2572-2611; ppp3.10486"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293622"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293622"}]}, {"osti_id":"2294130","title":"3D radiated power analysis of JET SPI discharges using the Emis3D forward modeling tool","doi":"10.1088/1741-4326/ad1d10","product_type":"Journal Article","language":"English","country_publication":"IAEA","relation":"Journal Name: Nuclear Fusion Journal Volume: 64 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n Precise values for radiated energy in tokamak disruption experiments are needed to validate disruption mitigation techniques for burning plasma tokamaks like ITER and SPARC. Control room analysis of radiated power (\n <italic>P<\/italic>\n <sub>rad<\/sub>\n ) on JET assumes axisymmetry, since fitting 3D radiation structures with limited bolometry coverage is an under-determined problem. In mitigated disruptions, radiation is toroidally asymmetric and 3D, due to fast-growing 3D MHD modes and localized impurity sources. To address this problem, Emis3D adopts a physics motivated forward modeling (‘guess and check’) approach, comparing experimental bolometry data to synthetic data from user-defined radiation structures. Synthetic structures are observed with the Cherab modeling framework and a best fit chosen using a reduced\n <italic>χ<\/italic>\n <sup>2<\/sup>\n statistic. 2D tomographic inversion models are tested, as well as helical flux tubes and 3D MHD simulated structures from JOREK. Two nominally identical pure neon shattered pellet injection (SPI) mitigated discharges in JET are analyzed. 2D tomographic inversions with added toroidal freedom are the best fits in the thermal quench (TQ) and current quench (CQ). In the pre-TQ, 2D reconstructions are statistically the best fits, but are likely over-optimized and do not capture the 3D radiation structure seen in fast camera images. The next-best pre-TQ fits are helical structures that extend towards the high-field side, consistent with an impurity flow under the magnetic nozzle effect also observed in JOREK simulations. Whole-disruption radiated fractions of\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <mn>0.98<\/mn>\n <mo>+<\/mo>\n <mn>0.03<\/mn>\n <mrow>\n <mo>/<\/mo>\n <\/mrow>\n <\/math>\n <inline-graphic href=\'nfad1d10ieqn1.gif\' type=\'simple\'/>\n <\/inline-formula>\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <mo>−<\/mo>\n <mn>0.29<\/mn>\n <\/math>\n <inline-graphic href=\'nfad1d10ieqn2.gif\' type=\'simple\'/>\n <\/inline-formula>\n and\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <mn>1.01<\/mn>\n <mo>+<\/mo>\n <mn>0.02<\/mn>\n <mrow>\n <mo>/<\/mo>\n <\/mrow>\n <mo>−<\/mo>\n <mn>0.17<\/mn>\n <\/math>\n <inline-graphic href=\'nfad1d10ieqn3.gif\' type=\'simple\'/>\n <\/inline-formula>\n are found, suggesting that the stored energy may have been fully mitigated by each SPI, although mitigation efficiencies well below ITER and SPARC requirements for high energy pulses are still within the large uncertainties. Emis3D is also used to validate JOREK SPI simulations, and confirms improvements in matching experiment from changes to impurity modeling. Time-dependent toroidal peaking factors are calculated and discussed.\n <\/p>","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nuclear Fusion","journal_issue":"3","journal_volume":"64","format":"Medium: X; Size: Article No. 036020","authors":["Stein-Lubrano, B. (ORCID:0000000181520814)","Sweeney, R. (ORCID:0000000334081497)","Bonfiglio, D. (ORCID:000000032638317X)","Lovell, J. (ORCID:0000000195653466)","Carvalho, P. (ORCID:0000000284800499)","Baylor, L. (ORCID:0000000203257771)","Granetz, R. S. (ORCID:0000000265601881)","Jachmich, S. (ORCID:000000018289536X)","Joffrin, E.","Kong, M. (ORCID:0000000220043513)","Lehnen, M. (ORCID:0000000160438803)","Maggi, C. (ORCID:0000000172082613)","Marmar, E. (ORCID:0000000252830546)","Nardon, E. (ORCID:0000000304272292)","Puglia, P. (ORCID:0000000341258465)","Sheikh, U. (ORCID:0000000162072489)","Shiraki, D. (ORCID:0000000214526949)","Silburn, S. (ORCID:0000000231115113)","JET Contributors"],"article_type":"Published Article","doe_contract_number":"SC0014264","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294130"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294130"}]}, {"osti_id":"2294159","title":"Universal parameters of bulk-solvent masks","doi":"10.1107/S2053273324000299","product_type":"Journal Article","language":"English","country_publication":"Denmark","relation":"Journal Name: Acta Crystallographica. Section A, Foundations and Advances (Online) Journal Volume: 80 Journal Issue: 2","description":"<p>\n The bulk solvent is a major component of biomacromolecular crystals that contributes significantly to the observed diffraction intensities. Accurate modelling of the bulk solvent has been recognized as important for many crystallographic calculations. Owing to its simplicity and modelling power, the flat (mask-based) bulk-solvent model is used by most modern crystallographic software packages to account for disordered solvent. In this model, the bulk-solvent contribution is defined by a binary mask and a scale (scattering) function. The mask is calculated on a regular grid using the atomic model coordinates and their chemical types. The grid step and two radii, solvent and shrinkage, are the three parameters that govern the mask calculation. They are highly correlated and their choice is a compromise between the computer time needed to calculate the mask and the accuracy of the mask. It is demonstrated here that this choice can be optimized using a unique value of 0.6 Å for the grid step irrespective of the data resolution, and the radii values adjusted correspondingly. The improved values were tested on a large sample of Protein Data Bank entries derived from X-ray diffraction data and are now used in the computational crystallography toolbox (\n <italic>CCTBX<\/italic>\n ) and in\n <italic>Phenix<\/italic>\n as the default choice.\n <\/p>","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"International Union of Crystallography (IUCr)","journal_name":"Acta Crystallographica. Section A, Foundations and Advances (Online)","journal_issue":"2","journal_volume":"80","format":"Medium: X; Size: p. 194-201","authors":["Urzhumtsev, Alexandre (ORCID:0000000210023041)","Adams, Paul (ORCID:0000000193338219)","Afonine, Pavel (ORCID:000000025052991X)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2053-2733","other_identifiers":["Journal ID: ISSN 2053-2733; ACSAD7; PII: S2053273324000299"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294159"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294159"}]}, {"osti_id":"2293636","title":"Emergent Nucleosynthesis from a 1.2 s Long Simulation of a Black Hole Accretion Disk","doi":"10.3847/1538-4357/ad1819","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 962 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n We simulate a black hole accretion disk system with full-transport general relativistic neutrino radiation magnetohydrodynamics for 1.2 s. This system is likely to form after the merger of two compact objects and is thought to be a robust site of\n <italic>r<\/italic>\n -process nucleosynthesis. We consider the case of a black hole accretion disk arising from the merger of two neutron stars. Our simulation time coincides with the nucleosynthesis timescale of the\n <italic>r<\/italic>\n -process (∼1 s). Because these simulations are time-consuming, it is common practice to run for a “short” duration of approximately 0.1–0.3 s. We analyze the nucleosynthetic outflow from this system and compare the results of stopping at 0.12 and 1.2 s. We find that the addition of mass ejected in the longer simulation as well as more favorable thermodynamic conditions from emergent viscous ejecta greatly impacts the nucleosynthetic outcome. We quantify the error in nucleosynthetic outcomes between short and long cuts.\n <\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"1","journal_volume":"962","format":"Medium: X; Size: Article No. 79","authors":["Sprouse, Trevor M. (ORCID:0000000243754369)","Lund, Kelsey A. (ORCID:0000000300311397)","Miller, Jonah M. (ORCID:0000000164327860)","McLaughlin, Gail C. (ORCID:0000000168116657)","Mumpower, Matthew R. (ORCID:0000000299509688)"],"article_type":"Published Article","doe_contract_number":"20220564ECR; 20230052ER; FG02-02ER41216","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293636"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293636"}]}, {"osti_id":"2293618","title":"Dijet and electroweak limits on a\n <math display=\'inline\'>\n <msup>\n <mi>Z<\/mi>\n <mo>′<\/mo>\n <\/msup>\n <\/math>\n boson coupled to quarks","report_number":"MITP-17-048; FERMILAB-PUB-21-698-T; arXiv:2112.05392","doi":"10.1103/PhysRevD.109.035004","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D. Journal Volume: 109 Journal Issue: 3","description":"An insightful way of presenting the LHC limits on dijet resonances is the coupling-mass plot for a $Z\'$ boson that has flavor-independent quark interactions. This also illustrates the comparison of low-mass LHC sensitivity with constraints on the flavor-independent $Z\'$ boson from electroweak and quarkonium measurements. To derive these constraints, we compute the $Z\'$ mixing with the $Z$, the photon, and the $Υ$ meson, emphasizing the logarithmic dependence on the masses of the new electroweak-charged fermions (“anomalons”) required to cancel the gauge anomalies. We update the coupling-mass plot, extending it for $Z\'$ masses from 5 GeV to 5 TeV.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. D.","journal_issue":"3","journal_volume":"109","format":"Medium: X","authors":["Dobrescu, Bogdan A. (ORCID:0000000342915965)","Yu, Felix (ORCID:0000000206158082)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","extensions of gauge sector","hypothetical particle physics models","signatures with jets","W & Z bosons"],"article_type":"Published Article","doe_contract_number":"AC02-07CH11359; EXC 2118/1; 390831469","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; PRVDAQ; 035004"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293618"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293618"}]}, {"osti_id":"2310336","title":"Small-amplitude Compressible Magnetohydrodynamic Turbulence Modulated by Collisionless Damping in Earth’s Magnetosheath: Observation Matches Theory","report_number":"LA-UR-23-25092","doi":"10.3847/1538-4357/ad132e","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal; Journal Volume: 962; Journal Issue: 1","description":"Plasma turbulence is a ubiquitous dynamical process that transfers energy across many spatial and temporal scales and affects energetic particle transport. Recent advances in the understanding of compressible magnetohydrodynamic (MHD) turbulence demonstrate the important role of damping in shaping energy distributions on small scales, yet its observational evidence is still lacking. This study provides the first observational evidence of substantial collisionless damping (CD) modulation on the small-amplitude compressible MHD turbulence cascade in Earth’s magnetosheath using four Cluster spacecraft. Based on an improved compressible MHD decomposition algorithm, turbulence is decomposed into three eigenmodes: incompressible Alfvén modes and compressible slow and fast (magnetosonic) modes. Our observations demonstrate that CD enhances the anisotropy of compressible MHD modes because CD has a strong dependence on wave propagation angle. The wavenumber distributions of slow modes are mainly stretched perpendicular to the background magnetic field (B<sub>0<\/sub>) and weakly modulated by CD. In contrast, fast modes are subjected to a more significant CD modulation. Fast modes exhibit a weak, scale-independent anisotropy above the CD truncation scale. Below the CD truncation scale, the anisotropy of fast modes enhances as wavenumbers increase. As a result, fast-mode fractions in the total energy of compressible modes decrease with the increase of perpendicular wavenumber (to B<sub>0<\/sub>) or wave propagation angle. Our findings reveal how the turbulence cascade is shaped by CD and its consequences for anisotropies in the space environment.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"IOP Publishing","journal_name":"The Astrophysical Journal","journal_issue":"1","journal_volume":"962","format":"Medium: ED; Size: Article No. 89","authors":["Zhao, Siqi [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Univ. of Potsdam (Germany)] (ORCID:0000000342687763)","Yan, Huirong [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Univ. of Potsdam (Germany)] (ORCID:0000000325608066)","Liu, Terry Z. [Univ. of California, Los Angeles, CA (United States)] (ORCID:0000000317784289)","Yuen, Ka Ho [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000316839153)","Shi, Mijie [Shandong Univ., Weihai (China)] (ORCID:0000000292015896)"],"subjects":["97 MATHEMATICS AND COMPUTING","Astronomy","Astrophysics"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310336"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2310336"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310336"}]}, {"osti_id":"2293623","title":"Coupled Thermo-Hydro-Mechanical Processes in Fractured Rocks: Some Past Scientific Highlights and Future Research Directions","doi":"10.1007/s00603-023-03676-7","product_type":"Journal Article","language":"English","country_publication":"Austria","relation":"Journal Name: Rock Mechanics and Rock Engineering","description":"<title>Abstract<\/title>\n <p>Coupled thermo-hydro-mechanical (THM) processes in fractured rocks have been a topic of intense scientific research for more than 30 years. The present paper takes a look into the past and highlights some scientific advances which are of an unusual “out-of-the-box” nature, and then looks forward and discusses possible directions of future research in this interesting field of study. Concerning future research directions, we see a trend from a focus on coupled THM processes in single fractures or a few interacting fractures, to the study of coupled THM behavior in complex fracture network systems where the fractures act collectively giving rise to local stress concentration points and points of large pressure gradients. Three examples of future research directions are presented. First is an effort towards identifying characterizing parameters of a fracture network that play a direct controlling role in major coupled THM phenomena (such as induced seismicity and flow channeling), rather than parameters of stochastic distributions of fractures in the network. The second example of research direction is accounting for the heterogeneity and hierarchy of fractures in a fault or fracture zone which has been associated with major THM events in a number of geo-energy projects. The third example is at the opposite end of the first; here it is recognized that in some cases, the coupled THM processes in fractured rocks may be controlled dominantly by only a few key bridges. Identification, characterization, and evaluation of these key bridges should be one of the important research directions in the coming days.<\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Rock Mechanics and Rock Engineering","format":"Medium: X","authors":["Tsang, Chin-Fu (ORCID:0000000223554861)"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE)"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0723-2632","other_identifiers":["Journal ID: ISSN 0723-2632; PII: 3676"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293623"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293623"}]}, {"osti_id":"2322398","title":"Superfluorescence from Electron-Hole Plasma at Moderate Temperatures of 175 K","report_number":"NREL/JA-5F00-89051","doi":"10.1103/PhysRevLett.132.063803","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters; Journal Volume: 132; Journal Issue: 6","description":"Superfluorescence, a cooperative coherent spontaneous emission, is of great importance to the understanding of many-body correlation in optical processes. Even though superfluorescence has been demonstrated in many diverse systems, it is hard to observe in electron-hole plasma (EHP) due to its rapid dephasing and hence needs strong magnetic fields or complex microcavities. Herein, we report the first experimental observation of superfluorescence from EHP up to a moderate temperature of 175 K without external stimuli in a coupled metal halide perovskite quantum dots film. The EHP exhibits macroscopic quantum coherence through spontaneous synchronization. The coherence of the excited state decays by superfluorescence, which is redshifted 40 meV from the spontaneous emission with a ~1700 times faster decay rate and exhibits quadratic fluence dependence. Notably, the excited state population\'s delayed growth and abrupt decay, which are strongly influenced by the pump fluence and the Burnham-Chiao ringing, are the characteristics of the superfluorescence. Our findings will open up a new frontier for cooperative emission and light beam-based technologies.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","journal_name":"Physical Review Letters","journal_issue":"6","journal_volume":"132","format":"Medium: X","authors":["Poonia, Ajay K.","Mondal, Barnali","Beard, Matthew C. (ORCID:0000000227111355)","Nag, Angshuman","Adarsh, K. V."],"subjects":["CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS","light-matter interaction","photonics","spontaneous emission","ultrafast optics"],"article_type":"","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE National Renewable Energy Laboratory (NREL)"}],"sponsor_orgs":["USDOE National Renewable Energy Laboratory (NREL)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"other_identifiers":["MainId:89830;UUID:833a15b3-009d-41c0-813e-c5d551df88c1;MainAdminId:72029"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322398"}]}, {"osti_id":"2293612","title":"Optimal control of large quantum systems: assessing memory and runtime performance of GRAPE","report_number":"FERMILAB-PUB-23-155-SQMS; arXiv:2304.06200","doi":"10.1088/2399-6528/ad22e5","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Physics Communications Journal Volume: 8 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Gradient Ascent Pulse Engineering (GRAPE) is a popular technique in quantum optimal control, and can be combined with automatic differentiation (AD) to facilitate on-the-fly evaluation of cost-function gradients. We illustrate that the convenience of AD comes at a significant memory cost due to the cumulative storage of a large number of states and propagators. For quantum systems of increasing Hilbert space size, this imposes a significant bottleneck. We revisit the strategy of hard-coding gradients in a scheme that fully avoids propagator storage and significantly reduces memory requirements. Separately, we present improvements to numerical state propagation to enhance runtime performance. We benchmark runtime and memory usage and compare this approach to AD-based implementations, with a focus on pushing towards larger Hilbert space sizes. The results confirm that the AD-free approach facilitates the application of optimal control for large quantum systems which would otherwise be difficult to tackle.<\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"IOP Publishing","journal_name":"Journal of Physics Communications","journal_issue":"2","journal_volume":"8","format":"Medium: X; Size: Article No. 025002","authors":["Lu, Yunwei (ORCID:0000000340175676)","Joshi, Sandeep","San Dinh, Vinh (ORCID:0000000192589542)","Koch, Jens"],"subjects":["71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS","quantum optimal control","simulation of large quantum systems","gradient ascent pulse engineering"],"article_type":"Published Article","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 2399-6528","other_identifiers":["Journal ID: ISSN 2399-6528"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293612"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293612"}]}, {"osti_id":"2317774","title":"Understanding solidification of near eutectic alloy using Cellular Automata (CA)","doi":"10.1016/j.commatsci.2024.112835","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Computational Materials Science; Journal Volume: 236; Journal Issue: 1","description":"The solidification microstructure of an alloy strongly influences the mechanical properties. Dendritic and eutectic solidification are two important pathways of alloy solidification. The formation of phases, and their size and distribution depend on which pathway to take. In contrast to the Scheil model that has been widely used in describing the solidification pathways of alloys manufactured from conventional casting approach, more sophisticated solidification models are required to describe the state-of-the art manufacturing processes, such as additive manufacturing where distinctly different phase morphology, size and distribution than conventional casting can form, due to the vast difference in cooling conditions. Therefore, this work is to develop a computational Cellular Automata framework which includes the modeling of nucleation and growth of dendritic and eutectic solidification, as well as their competition as a function of alloy composition, undercooling and cooling rate. Further, after individual solidification models were validated against analytical solutions, the models were then combined to predict the competition between dendritic and eutectic solidification in alloys with off-eutectic compositions. This work predicts increased cooling rates suppress the dendritic solidification and promote eutectic solidification. Although quantitative validation is needed, this finding is consistent with qualitative observation in literature.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Elsevier","journal_name":"Computational Materials Science","journal_issue":"1","journal_volume":"236","format":"Medium: ED; Size: Article No. 112835","authors":["Roy, Indranil [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000336124323)","Rolchigo, Matt [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000334394207)","Coleman, John [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Chen, Shuanglin [Computherm LLC, Madison, WI (United States)]","Plotkowski, Alex [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Yang, Ying [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0927-0256","other_identifiers":["Journal ID: ISSN 0927-0256"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317774"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317774"}]}, {"osti_id":"2320330","title":"Missing Excitons: How Energy Transfer Competes with Free Charge Generation in Dilute-Donor/Acceptor Systems","report_number":"NREL/JA-5900-87537","doi":"10.1021/acsenergylett.3c01969","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Energy Letters Journal Volume: 9 Journal Issue: 3","description":"Energy transfer across the donor-acceptor interface in organic photovoltaics is usually beneficial to device performance, as it assists energy transport to the site of free charge generation. Here, we present a case where the opposite is true: dilute donor molecules in an acceptor host matrix exhibit ultrafast excitation energy transfer (EET) to the host, which suppresses the free charge yield. We observe an optimal photochemical driving force for free charge generation, as detected via time-resolved microwave conductivity (TRMC), but with a low yield when the sensitizer is excited. Meanwhile, transient absorption shows that transferred excitons efficiently produce charge-transfer states. This behavior is well described by a competition for the excited state between long-range electron transfer that produces free charge and EET that ultimately produces only localized charge-transfer states. It cannot be explained if the most localized CT states are the intermediate between excitons and the free charge in this system.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Energy Letters","journal_issue":"3","journal_volume":"9","format":"Medium: X; Size: p. 896-907","authors":["Carr, Joshua M. [Materials Science and Engineering Program, University of Colorado Boulder, Boulder, Colorado 80303, United States] (ORCID:0000000321258759)","Gish, Melissa K. [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States] (ORCID:0000000298863626)","Reid, Obadiah G. [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States, Renewable and Sustainable Energy Institute, University of Colorado Boulder, Boulder, Colorado 80303, United States] (ORCID:0000000306463981)","Rumbles, Garry [Materials Science and Engineering Program, University of Colorado Boulder, Boulder, Colorado 80303, United States, Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States, Renewable and Sustainable Energy Institute, University of Colorado Boulder, Boulder, Colorado 80303, United States, Department of Chemistry, University of Colorado Boulder, Boulder, Colorado 80303, United States] (ORCID:0000000307761462)"],"subjects":["71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS","14 SOLAR ENERGY","acceptor","charge transfer","charge transfer state","donor","energy transfer","free charges","fullerene","microwave conductivity","organic semiconductors"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 2380-8195","other_identifiers":["Journal ID: ISSN 2380-8195"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320330"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320330"}]}, {"osti_id":"2293632","title":"The expression of genes encoding novel Sesame oleosin variants facilitates enhanced triacylglycerol accumulation in Arabidopsis leaves and seeds","report_number":"BNL-225211-2024-JAAM","doi":"10.1111/nph.19548","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: New Phytologist","description":"<title>Summary<\/title>\n <p>\n <list list-type=\'bullet\'>\n <list-item>\n <p>Triacylglycerols (TAG), accumulate within lipid droplets (LD), predominantly surrounded by OLEOSINs (OLE), that protect TAG from hydrolysis. We tested the hypothesis that identifying and removing degradation signals from OLE would promote its abundance, preventing TAG degradation and enhancing TAG accumulation.<\/p>\n <\/list-item>\n <list-item>\n <p>\n We tested whether mutating potential ubiquitin‐conjugation sites in a previously reported improved\n <italic>Sesamum indicum OLE<\/italic>\n (\n <italic>SiO<\/italic>\n ) variant,\n <italic>o3‐3 Cys‐OLE<\/italic>\n (\n <italic>SiCO<\/italic>\n herein), would stabilize it and increase its lipogenic potential. SiCOv1 was created by replacing all five lysines in SiCO with arginines. Separately, six cysteine residues within SiCO were deleted to create SiCOv2. SiCOv1 and SiCOv2 mutations were combined to create SiCOv3.\n <\/p>\n <\/list-item>\n <list-item>\n <p>\n Transient expression of\n <italic>SiCOv3<\/italic>\n in\n <italic>Nicotiana benthamiana<\/italic>\n increased TAG by two‐fold relative to SiCO. Constitutive expression of\n <italic>SiCOv3<\/italic>\n or\n <italic>SiCOv5<\/italic>\n , containing the five predominant TAG‐increasing mutations from\n <italic>SiCOv3<\/italic>\n , in Arabidopsis along with mouse\n <italic>DGAT2<\/italic>\n (\n <italic>mD<\/italic>\n ) increased TAG accumulation by 54% in leaves and 13% in seeds compared with control lines coexpressing\n <italic>SiCO<\/italic>\n and\n <italic>mD.<\/italic>\n <\/p>\n <\/list-item>\n <list-item>\n <p>Lipid synthesis rates increased, consistent with an increase in lipid sink strength that sequesters newly synthesized TAG, thereby relieving the constitutive BADC‐dependent inhibition of ACCase reported for WT Arabidopsis. These OLE variants represent novel factors for potentially increasing TAG accumulation in a variety of oil crops.<\/p>\n <\/list-item>\n <\/list>\n <\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"New Phytologist","format":"Medium: X","authors":["Anaokar, Sanket [Biology Department Brookhaven National Laboratory Upton NY 11973 USA] (ORCID:0000000332281268)","Liang, Yuanxue [Biology Department Brookhaven National Laboratory Upton NY 11973 USA] (ORCID:0000000216908094)","Yu, Xiao‐Hong [Biology Department Brookhaven National Laboratory Upton NY 11973 USA] (ORCID:0000000323522023)","Cai, Yingqi [Biology Department Brookhaven National Laboratory Upton NY 11973 USA] (ORCID:0000000203575809)","Cai, Yuanheng [Biology Department Brookhaven National Laboratory Upton NY 11973 USA] (ORCID:0000000336993115)","Shanklin, John [Biology Department Brookhaven National Laboratory Upton NY 11973 USA] (ORCID:0000000267748043)"],"subjects":["59 BASIC BIOLOGICAL SCIENCES","biodiesel","oil yield","OLE","plant oil","triacylglycerol","vegetative TAG"],"article_type":"Published Article","doe_contract_number":"SC0012704; SC0018254; SC0021369; SC0018420","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)"],"journal_issn":"ISSN 0028-646X","other_identifiers":["Journal ID: ISSN 0028-646X; nph.19548"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293632"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293632"}]}, {"osti_id":"2290403","title":"Structural reforms and income distribution: new evidence for OECD countries","doi":"10.1093/oep/gpae002","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Oxford Economic Papers","description":"<title>Abstract<\/title>\n <p>This article examines the impact of labour market and product market reforms on income inequality for 25 OECD countries between 1970 and 2020, using the local projections approach and an updated narrative-based dataset of the reform indicators. Our results suggest that both types of (endogenized) market-oriented reforms increase income inequality, but the effects are small. Consistent with this finding is that counter-reforms lead to less income inequality. Our results also indicate that the inequality-increasing effect of market-oriented reforms is mostly a result of more income going to the top of the income distribution.<\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Oxford University Press","journal_name":"Oxford Economic Papers","format":"Medium: X","authors":["Wiese, Rasmus","Jalles, João Tovar","de Haan, Jakob"],"article_type":"Published Article","doe_contract_number":"UIDB/05069/2020","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE), Nuclear Fuel Cycle and Supply Chain"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE), Nuclear Fuel Cycle and Supply Chain"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0030-7653","other_identifiers":["Journal ID: ISSN 0030-7653; gpae002"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290403"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290403"}]}, {"osti_id":"2293605","title":"Rapid Exciton Transport and Structural Defects in Individual Porphyrinic Metal Organic Framework Microcrystals","doi":"10.1021/jacs.3c12275","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society Journal Volume: 146 Journal Issue: 7","description":"To date, spectroscopic characterization of porphyrin-based metal organic frameworks (MOFs) has relied almost exclusively on ensemble techniques, which provide only structurally averaged insight into the functional properties of these promising photochemical platforms. This work employs time-resolved pump–probe microscopy to probe ultrafast dynamics in PCN-222 MOF single crystals. The simultaneous high spatial and temporal resolution of the technique enables the correlation of spectroscopic observables to both inter- and intracrystal structural heterogeneity. The pump–probe measurements show that significant differences in the excited state lifetime exist between individual PCN-222 crystals of an ensemble. On a single PCN-222 crystal, differences in excited state lifetime and photoluminescence quantum yield are found to correlate to microscale structural defects introduced at crystallization. Pump probe microscopy also enables the direct measurement of excited state transport. Imaging of exciton transport on individual MOF crystals reveals rapid, but subdiffusive exciton transport which slows on the 10s of ps time scale. Time-averaged exciton diffusion coefficients over the first 200 ps span a range of 0.27 to 1.0 cm<sup>2<\/sup>/s, indicating that excited states are rapidly transported through the porphyrin network of PCN-222 before being trapped. Together, these single-particleresolved measurements provide important new insight into the role played by structural defects on the photochemical functionality of porphyrin-based MOFs.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of the American Chemical Society","journal_issue":"7","journal_volume":"146","format":"Medium: X; Size: p. 4309-4313","authors":["Afrin, Sajia [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana 59717, United States, Montana Materials Science Program, Montana State University, Bozeman, Montana 59717, United States]","Yang, Xiaozhou [Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States] (ORCID:0000000173429543)","Morris, Amanda J. [Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States] (ORCID:0000000235120366)","Grumstrup, Erik M. [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana 59717, United States, Montana Materials Science Program, Montana State University, Bozeman, Montana 59717, United States] (ORCID:0000000205683889)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Defects","Excited states","Excitons","Kinetics","Metal organic frameworks"],"article_type":"Published Article","doe_contract_number":"SC0012445; 2154448","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Montana State University, Bozeman, MO (United States)"}],"research_orgs":["Montana State University, Bozeman, MO (United States)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293605"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293605"}]}, {"osti_id":"2293628","title":"High voltage electrolytes for lithium-ion batteries with micro-sized silicon anodes","report_number":"BNL-225329-2024-JAAM","doi":"10.1038/s41467-024-45374-0","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Micro-sized silicon anodes can significantly increase the energy density of lithium-ion batteries with low cost. However, the large silicon volume changes during cycling cause cracks for both organic-inorganic interphases and silicon particles. The liquid electrolytes further penetrate the cracked silicon particles and reform the interphases, resulting in huge electrode swelling and quick capacity decay. Here we resolve these challenges by designing a high-voltage electrolyte that forms silicon-phobic interphases with weak bonding to lithium-silicon alloys. The designed electrolyte enables micro-sized silicon anodes (5 µm, 4.1 mAh cm\n <sup>−2<\/sup>\n ) to achieve a Coulombic efficiency of 99.8% and capacity of 2175 mAh g\n <sup>−1<\/sup>\n for >250 cycles and enable 100 mAh LiNi\n <sub>0.8<\/sub>\n Co\n <sub>0.15<\/sub>\n Al\n <sub>0.05<\/sub>\n O\n <sub>2<\/sub>\n pouch full cells to deliver a high capacity of 172 mAh g\n <sup>−1<\/sup>\n for 120 cycles with Coulombic efficiency of >99.9%. The high-voltage electrolytes that are capable of forming silicon-phobic interphases pave new ways for the commercialization of lithium-ion batteries using micro-sized silicon anodes.\n <\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Li, Ai-Min","Wang, Zeyi","Pollard, Travis P. (ORCID:0000000162405423)","Zhang, Weiran","Tan, Sha","Li, Tianyu","Jayawardana, Chamithri","Liou, Sz-Chian","Rao, Jiancun","Lucht, Brett L.","Hu, Enyuan (ORCID:0000000218814534)","Yang, Xiao-Qing (ORCID:0000000236253478)","Borodin, Oleg (ORCID:0000000294285291)","Wang, Chunsheng (ORCID:0000000286266381)"],"subjects":["25 ENERGY STORAGE","batteries","energy"],"article_type":"Published Article","doe_contract_number":"SC0012704; EE000918","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)"],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1206; PII: 45374"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293628"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293628"}]}, {"osti_id":"2293604","title":"Disorder-induced heating as a mechanism for fast neutral gas heating in atmospheric pressure plasmas","report_number":"SAND-2024-01480J","doi":"10.1088/1361-6595/ad257e","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Plasma Sources Science and Technology Journal Volume: 33 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Recent findings suggest that ions are strongly correlated in atmospheric pressure plasmas if the ionization fraction is sufficiently high (\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <mrow>\n <mo>≳<\/mo>\n <msup>\n <mrow>\n <mn>10<\/mn>\n <\/mrow>\n <mrow>\n <mo>−<\/mo>\n <mn>5<\/mn>\n <\/mrow>\n <\/msup>\n <\/mrow>\n <\/math>\n <inline-graphic href=\'psstad257eieqn1.gif\' type=\'simple\'/>\n <\/inline-formula>\n ). A consequence is that ionization causes disorder-induced heating (DIH), which triggers a significant rise in ion temperature on a picosecond timescale. This is followed by a rise in the neutral gas temperature on a longer timescale of up to nanoseconds due to ion–neutral temperature relaxation. The sequence of DIH and ion–neutral temperature relaxation suggests a new mechanism for ultrafast neutral gas heating. Previous work considered only the case of an instantaneous ionization pulse, whereas the ionization pulse extends over nanoseconds in many experiments. Here, molecular dynamics simulations are used to analyze the evolution of ion and neutral gas temperatures for a gradual ionization over several nanoseconds. The results are compared with published experimental results from a nanosecond pulsed discharge, showing good agreement with a measurement of fast neutral gas heating.\n <\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"IOP Publishing","journal_name":"Plasma Sources Science and Technology","journal_issue":"2","journal_volume":"33","format":"Medium: X; Size: Article No. 02LT02","authors":["Acciarri, M. D. (ORCID:0000000327681259)","Moore, C. (ORCID:000000026940675X)","Baalrud, S. D. (ORCID:0000000196412605)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","CAPP","atmospheric pressure plasmas","strong correlations","strongly coupled","disorder induced heating","fast neutral gas heating"],"article_type":"Published Article","doe_contract_number":"SC0022201; NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0963-0252","other_identifiers":["Journal ID: ISSN 0963-0252"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293604"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293604"}]}, {"osti_id":"2294133","title":"NO Reduction with CO on Low‐loaded Platinum‐group Metals (Rh, Ru, Pd, Pt, and Ir) Atomically Dispersed on Ceria","doi":"10.1002/cctc.202301227","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: ChemCatChem","description":"<title>Abstract<\/title>\n <p>\n Low‐loaded platinum‐group single‐atom catalysts on CeO\n <sub>2<\/sub>\n (M\n <sub>1<\/sub>\n /CeO\n <sub>2<\/sub>\n ) were synthesized via high‐temperature atom trapping (AT) and tested for the NO+CO reaction under dry and wet conditions. The activity of these catalysts for NO+CO reaction follows the order Rh>Pd≈Ru>Pt>Ir. For Rh, Ru, and Pd single‐atom catalysts, the N\n <sub>2<\/sub>\n O byproduct is formed but not clearly observed in Ir and Pt cases, which may result from the higher reaction temperature (>200 °C) required for Pt and Ir catalysts. The presence of water can promote the activity of these M\n <sub>1<\/sub>\n /CeO\n <sub>2<\/sub>\n catalysts for the NO+CO reaction. Under wet conditions, significant NH\n <sub>3<\/sub>\n formation occurred during the reaction, which is due to the co‐existence of water‐gas‐shift reaction on these catalysts. Compared with Pt, Pd and Ir, the Rh and Ru single‐atom catalysts show higher selectivity to NH\n <sub>3<\/sub>\n species, resulting from the hydride species on the surface. Among all tested catalysts, Ru\n <sub>1<\/sub>\n /CeO\n <sub>2<\/sub>\n shows the highest production of ammonia and highest CO conversion due to excellent water‐gas‐shift activity, whereas Pd\n <sub>1<\/sub>\n /CeO\n <sub>2<\/sub>\n shows lowest ammonia production. Rh\n <sub>1<\/sub>\n /CeO\n <sub>2<\/sub>\n shows the best low temperature NO reduction activity among all tested catalysts.\n <\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"ChemCatChem","format":"Medium: X","authors":["Tian, Jinshu [Pacific Northwest National Laboratory Richland Washington 99354 United States, Present address: College of Chemical Engineering Zhejiang University of Technology Hangzhou Zhejiang 310014 China]","Khivantsev, Konstantin [Pacific Northwest National Laboratory Richland Washington 99354 United States] (ORCID:000000024810586X)","Lu, Yubing [Pacific Northwest National Laboratory Richland Washington 99354 United States] (ORCID:0000000257919697)","Xue, Sichuang [Pacific Northwest National Laboratory Richland Washington 99354 United States] (ORCID:0000000284458718)","Zhang, Zihao [Pacific Northwest National Laboratory Richland Washington 99354 United States, The Gene and Linda Voiland School of Chemical Engineering and Bioengineering Washington State University Pullman Washington 99164 United States]","Szanyi, János [Pacific Northwest National Laboratory Richland Washington 99354 United States] (ORCID:0000000280536360)","Wang, Yong [Pacific Northwest National Laboratory Richland Washington 99354 United States, The Gene and Linda Voiland School of Chemical Engineering and Bioengineering Washington State University Pullman Washington 99164 United States]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1867-3880","other_identifiers":["Journal ID: ISSN 1867-3880; e202301227"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294133"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294133"}]}, {"osti_id":"2290378","title":"Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR","doi":"10.1038/s41467-024-45195-1","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Transcriptional regulator MtrR inhibits the expression of the multidrug efflux pump operon\n <italic>mtrCDE<\/italic>\n in the pathogenic bacterium\n <italic>Neisseria gonorrhoeae<\/italic>\n . Here, we show that MtrR binds the hormonal steroids progesterone, β-estradiol, and testosterone, which are present at urogenital infection sites, as well as ethinyl estrogen, a component of some hormonal contraceptives. Steroid binding leads to the decreased affinity of MtrR for cognate DNA, increased\n <italic>mtrCDE<\/italic>\n expression, and enhanced antimicrobial resistance. Furthermore, we solve crystal structures of MtrR bound to each steroid, thus revealing their binding mechanisms and the conformational changes that induce MtrR.\n <\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Hooks, Grace M. (ORCID:000000033230962X)","Ayala, Julio C.","Holley, Concerta L.","Dhulipala, Vijaya","Beggs, Grace A. (ORCID:000000033537913X)","Perfect, John R.","Schumacher, Maria A. (ORCID:0000000252641120)","Shafer, William M.","Brennan, Richard G. (ORCID:000000017647485X)"],"article_type":"Published Article","doe_contract_number":"AC03-76SF00098","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1153; PII: 45195"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290378"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290378"}]}, {"osti_id":"2305797","title":"Efficient Synthesis and HPLC-Based Characterization for Developing Vanadium-48-Labeled Vanadyl Acetylacetonate as a Novel Cancer Radiotracer for PET Imaging","doi":"10.3390/molecules29040799","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Molecules; Journal Volume: 29; Journal Issue: 4","description":"Bis(acetylacetonato)oxidovanadium(IV) [(VO(acac)<sub>2<\/sub>], generally known as vanadyl acetylacetonate, has been shown to be preferentially sequestered in malignant tissue. Vanadium-48 (<sup>48<\/sup>V) generated with a compact medical cyclotron has been used to label VO(acac)<sub>2<\/sub> as a potential radiotracer in positron emission tomography (PET) imaging for the detection of cancer, but requires lengthy synthesis. Current literature protocols for the characterization of VO(acac)<sub>2<\/sub> require macroscale quantities of reactants and solvents to identify products by color and to enable crystallization that are not readily adaptable to the needs of radiotracer synthesis. We present an improved method to produce vanadium-48-labeled VO(acac)<sub>2<\/sub>, [<sup>48<\/sup>V]VO(acac)<sub>2<\/sub>, and characterize it using high-performance liquid chromatography (HPLC) with radiation detection in combination with UV detection. The approach is suitable for radiotracer-level quantities of material. These methods are readily applicable for production of [<sup>48<\/sup>V]VO(acac)<sub>2<\/sub>. Preliminary results of preclinical, small-animal PET studies are presented.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"MDPI","journal_name":"Molecules","journal_issue":"4","journal_volume":"29","format":"Medium: ED; Size: Article No. 799","authors":["Broder, Brittany A. [Univ. of Chicago, IL (United States); National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)] (ORCID:0000000293735326)","Bhuiyan, Mohammed Parvez Ismail [Univ. of Chicago, IL (United States)] (ORCID:0000000311160280)","Freifelder, Richard [Univ. of Chicago, IL (United States)]","Rotsch, David A. [Argonne National Laboratory (ANL), Argonne, IL (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Chitneni, Satish K. [Univ. of Chicago, IL (United States)]","Makinen, Marvin William [Univ. of Chicago, IL (United States)] (ORCID:0000000173817116)","Chen, Chin-Tu [Univ. of Chicago, IL (United States)] (ORCID:0000000325088726)"],"subjects":["62 RADIOLOGY AND NUCLEAR MEDICINE","vanadium","vanadium-48","vanadyl acetylacetonate","high performance liquid chromatography (HPLC)","positron emission tomography (PET)","PET imaging","radioactivity"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1420-3049","other_identifiers":["Journal ID: ISSN 1420-3049"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305797"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2305797"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305797"}]}, {"osti_id":"2290401","title":"The fastVFP code for solution of the Vlasov–Fokker–Planck equation","doi":"10.1088/1361-6587/ad2278","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Plasma Physics and Controlled Fusion Journal Volume: 66 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n We describe the\n <italic>fast<\/italic>\n VFP code for solution of the Vlasov–Fokker–Planck equation for non-local electron transport and the generation of magnetic field, especially for application to laser-produced plasmas. We describe the essential features of the code that make it fast and robust and suitable for inclusion as a transport package in a fluid simulation. We present a few sample results that demonstrate the abilities of the code.\n <\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"IOP Publishing","journal_name":"Plasma Physics and Controlled Fusion","journal_issue":"3","journal_volume":"66","format":"Medium: X; Size: Article No. 035014","authors":["Bell, A. R. (ORCID:0000000288435003)","Sherlock, M."],"article_type":"Published Article","doe_contract_number":"AC52-07NA27344; LLNL-JRNL-852818","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0741-3335","other_identifiers":["Journal ID: ISSN 0741-3335"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290401"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290401"}]}, {"osti_id":"2294147","title":"Dehydrogenation and Transfer Hydrogenation of Alkenones to Phenols and Ketones on Carbon-Supported Noble Metals","doi":"10.1021/acscatal.3c04849","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Catalysis Journal Volume: 14 Journal Issue: 5","description":"The catalytic dehydrogenation of substituted alkenones on noble metal catalysts supported on carbon (Pt/C, Pd/C, Rh/C, and Ru/C) was investigated in an organic phase under inert conditions. The dehydrogenation and semihydrogenation of the enone starting materials resulted in aromatic compounds (primary products), saturated cyclic ketones (secondary products), and cyclic alcohols (minor products). Pd/C exhibits the highest catalytic activity, followed by Pt/C and Rh/C. Aromatic compounds remain the primary products, even in the presence of hydrogen donors. Joint experimental and theoretical analyses showed that the four catalytic materials stabilize a common dienol intermediate on the metal surfaces, formed by keto–enol tautomerization. This intermediate subsequently forms aromatic products upon dehydrogenation. The binding orientation of the enone reactants on the catalytic surface is strongly metal-dependent, as the M–O bond distance changes substantially according to the metal. The longer M–O bonds (Pt: 2.84 Å > Pd: 2.23 Å > Rh: 2.17 Å > Ru: 2.07 Å) correlate with faster reaction rates and more favorable keto–enol tautomerization, as shorter distances correspond to a more stabilized starting material. Tautomerization is shown to occur via a stepwise surface-assisted pathway. Overall, each of the studied metals exhibits a distinct balance of enthalpy and entropy of activation (ΔH<sup>°‡<\/sup>, ΔS<sup>°‡<\/sup>), offering unique possibilities in the realm of enone dehydrogenation reactions that can be achieved by suitable selection of catalytic materials.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Catalysis","journal_issue":"5","journal_volume":"14","format":"Medium: X; Size: p. 2883-2896","authors":["Li, Katja [Department of Chemistry and Catalysis Research Center, Technische Universität München, Lichtenbergstrasse 4, Garching bei München D-85748, Germany]","Kelly, H. Ray [Department of Chemistry, Yale University, 225 Prospect Street, P.O. Box 208107, New Haven, Connecticut 06520, United States] (ORCID:0000000338110662)","Franco, Ana [Leibniz-Institut für Katalyse (e.V. LIKAT), Albert Einstein Str. 29a, Rostock D-18059, Germany]","Batista, Victor S. [Department of Chemistry, Yale University, 225 Prospect Street, P.O. Box 208107, New Haven, Connecticut 06520, United States] (ORCID:0000000232621237)","Baráth, Eszter [Department of Chemistry and Catalysis Research Center, Technische Universität München, Lichtenbergstrasse 4, Garching bei München D-85748, Germany, Leibniz-Institut für Katalyse (e.V. LIKAT), Albert Einstein Str. 29a, Rostock D-18059, Germany] (ORCID:0000000184943388)"],"subjects":["aromatization","alkenone","noble metal","carbon support","tautomerization","dehydrogenation","aromatic compounds","metals","organic reactions","palladium","platinum"],"article_type":"Published Article","doe_contract_number":"DESC0001423; SC0001423","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Leibniz-Institut für Katalyse (e.V. LIKAT), Rostock (Germany)"}],"research_orgs":["Leibniz-Institut für Katalyse (e.V. LIKAT), Rostock (Germany)"],"journal_issn":"ISSN 2155-5435","other_identifiers":["Journal ID: ISSN 2155-5435"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294147"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294147"}]}, {"osti_id":"2319222","title":"Toward Polydisperse Flows With <sub>MFIX-EXA<\/sub>","doi":"10.1115/1.4064533","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Fluids Engineering; Journal Volume: 146; Journal Issue: 4","description":"In the presence of large size disparities, single-grid neighbor search algorithms lead to inflated neighbor lists that significantly degrade the performance of Lagrangian particle solvers. If Eulerian–Lagrangian (EL) frameworks are to remain performant when simulating realistic systems, improved neighbor detection approaches must be adopted. To this end, we consider the application of a multigrid neighbor search (MGNS) algorithm in the mfix-exa software package, an exascale EL solver built upon the AMReX library. Here, details regarding the implementation and verification of MGNS are provided along with speedup curves for a bidisperse mixing layer. MGNS is shown to yield up to 15$\\times$ speedup on CPU and 6$\\times$ speedup on GPU for the problems considered here. The mfix-exa software is then validated for a variety of polydisperse flows. Finally, a brief discussion is given for how dynamic MGNS may be completed, with application to spatially varying particle size distributions.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"ASME","journal_name":"Journal of Fluids Engineering","journal_issue":"4","journal_volume":"146","format":"Medium: ED; Size: Article No. 041101","authors":["Lattanzi, Aaron M. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:000000023372406X)","Fullmer, William D. [National Energy Technology Lab. (NETL), Morgantown, WV (United States)]","Myers, Andrew T. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]","Musser, Jordan [National Energy Technology Lab. (NETL), Morgantown, WV (United States)]"],"subjects":["mfix-exa","AMReX","bidisperse","polydisperse"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR2272","orgs_sponsor":[{"name":"USDOE Office of Fossil Energy (FE)"},{"name":"USDOE Office of Science (SC)"},{"name":"USDOE Office of Legacy Management (LM), Office of Field Operations"}],"sponsor_orgs":["USDOE Office of Fossil Energy (FE)","USDOE Office of Science (SC)","USDOE Office of Legacy Management (LM), Office of Field Operations"],"orgs_research":[{"name":"National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0098-2202","other_identifiers":["Journal ID: ISSN 0098-2202"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319222"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319222"}]}, {"osti_id":"2290396","title":"Dynamic urban land extensification is projected to lead to imbalances in the global land-carbon equilibrium","report_number":"PNNL-SA-185952","doi":"10.1038/s43247-024-01231-y","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Communications Earth & Environment Journal Volume: 5 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Human-Earth System Models and Integrated Assessment Models used to explore the land-atmosphere implications of future land-use transitions generally lack dynamic representation of urban lands. Here, we conduct an experiment incorporating dynamic urbanization in a multisector model framework. We integrate projected dynamic non-urban lands from a multisector model with projected dynamic urban lands from 2015 to 2100 at 1-km resolution to examine 1\n <sup>st<\/sup>\n -order implications to the land system, crop production, and net primary production that can arise from the competition over land resources. By 2100, future urban extensification could displace 0.1 to 1.4 million km\n <sup>2<\/sup>\n of agriculture lands, leading to 22 to 310 Mt of compromised corn, rice, soybean, and wheat production. When considering increased corn production required to meet demands by 2100, urban extensification could cut increases in yields by half. Losses in net primary production from displaced forest, grassland, and croplands ranged from 0.24 to 2.24 Gt C yr\n <sup>−1<\/sup>\n , potentially increasing land emissions by 1.19 to 6.59 Gt CO\n <sub>2<\/sub>\n yr\n <sup>−1<\/sup>\n . Although these estimates do not consider adaptive responses, 1\n <sup>st<\/sup>\n -order experiments can elucidate the individual role of sub-sectors that would otherwise be masked by model complexity.\n <\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Communications Earth & Environment","journal_issue":"1","journal_volume":"5","format":"Medium: X","authors":["McManamay, Ryan A. (ORCID:0000000255513140)","Vernon, Chris R. (ORCID:0000000234066214)","Chen, Min","Thompson, Isaac","Khan, Zarrar (ORCID:0000000281478553)","Narayan, Kanishka B. (ORCID:0000000184836216)"],"subjects":["54 ENVIRONMENTAL SCIENCES","urban","multisector dyanamics","IM3","LULCC"],"article_type":"Published Article","doe_contract_number":"59534; AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"}],"sponsor_orgs":["USDOE Office of Science (SC)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2662-4435","other_identifiers":["Journal ID: ISSN 2662-4435; 70; PII: 1231"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290396"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290396"}]}, {"osti_id":"2308872","title":"What if GW190425 did not produce a black hole promptly?","doi":"10.1093/mnras/stae400","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 528 Journal Issue: 4","description":"<title>ABSTRACT<\/title>\n <p>It is widely believed that the binary neutron star merger GW190425 produced a black hole promptly upon merger. Motivated by the potential association with the fast radio burst FRB 20190425A, which took place 2.5 h after the merger, we revisit the question of the outcome of GW190425 by means of numerical relativity simulations. We show that current laboratory and astrophysical constraints on the equation of state of dense matter do not rule out the formation of a long-lived remnant. However, the formation of a stable remnant would have produced a bright kilonova, in tension with upper limits by ZTF at the location and time of FRB 20190425A. Moreover, the ejecta would have been optically thick to radio emission for days to months, preventing a putative FRB from propagating out. The predicted dispersion measure is also several orders of magnitude larger than that observed for FRB 20190425A. Our results indicate that FRB 20190425A and GW190425 are not associated. However, we cannot completely rule out the formation of a long-lived remnant, due to the incomplete coverage of the relevant sky regions. More observations of GW190425-like events, including potential upper limit, have the potential to constrain nuclear physics. To this aim, it is important that follow-up observational campaigns of gravitational wave events are informed by the properties of the source, such as their chirp mass, and we urge the LIGO-Virgo-KAGRA collaboration to promptly release them publicly.<\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"4","journal_volume":"528","format":"Medium: X; Size: p. 5836-5844","authors":["Radice, David (ORCID:0000000169821008)","Ricigliano, Giacomo (ORCID:0000000316261355)","Bhattacharya, Mukul (ORCID:0000000332194324)","Perego, Albino (ORCID:0000000209368237)","Fattoyev, Farrukh J. (ORCID:0000000273713656)","Murase, Kohta (ORCID:0000000253585642)"],"subjects":["79 ASTRONOMY AND ASTROPHYSICS","gravitational waves","neutron star mergers","stars: neutron"],"article_type":"Published Article","doe_contract_number":"SC0021177; AC02-05CH11231; PHY-2011725; PHY-2020275; PHY-2116686; AST-2108467; AST-1908689; AST-2108466","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Pennsylvania State Univ., University Park, PA (United States)"}],"research_orgs":["Pennsylvania State Univ., University Park, PA (United States)"],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308872"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308872"}]}, {"osti_id":"2290406","title":"Drivers of coupled climate model biases in representing Labrador Sea convection","doi":"10.1007/s00382-023-07068-z","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Climate Dynamics","description":"<title>Abstract<\/title>\n <p>This study investigates the representation of ocean convection in the Labrador Sea in seven Earth System Models (ESMs) from the Coupled Model Intercomparison Project Phase 5 and 6 datasets. The relative role of the oceanic and atmospheric biases in the subpolar North Atlantic gyre are explored using regional ocean simulations where the atmospheric forcing or the ocean initial and boundary conditions are replaced by reanalysis data in the absence of interactive air-sea coupling. Commonalities and differences among model behaviors are discussed with the objective of finding a pathway forward to improve the representation of the ocean mean state and variability in a region of fundamental importance for climate variability and change. Results highlight that an improved representation of ocean stratification in the North Atlantic subpolar gyre is urgently needed to constrain future climate change projections. While improving the ocean model resolution in the North Atlantic alone may contribute a better representation of both boundary currents and propagation of heat and freshwater anomalies into the Labrador Sea, it may not be sufficient. Addressing the atmospheric heat flux bias with better resolution in the atmosphere and land topography may allow for deep convection to occur in the Labrador Sea in some of the models that miss it entirely, but the greatest priority remains improving the representation of ocean stratification.<\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Climate Dynamics","format":"Medium: X","authors":["Liu, Guangpeng","Tagklis, Filippos","Ito, Takamitsu","Bracco, Annalisa (ORCID:0000000216196103)"],"article_type":"Published Article","doe_contract_number":"0000253789","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0930-7575","other_identifiers":["Journal ID: ISSN 0930-7575; PII: 7068"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290406"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290406"}]}, {"osti_id":"2309746","title":"KETCHUP: Parameterizing of large-scale kinetic models using multiple datasets with different reference states","doi":"10.1016/j.ymben.2024.02.002","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Metabolic Engineering; Journal Volume: 82","description":"Large-scale kinetic models provide the computational means to dynamically link metabolic reaction fluxes to metabolite concentrations and enzyme levels while also conforming to substrate level regulation. However, the development of broadly applicable frameworks for efficiently and robustly parameterizing models remains a challenge. Challenges arise due to both the heterogeneity, paucity, and difficulty in obtaining flux and/or concentration data but also due to the computational difficulties of the underlying parameter identification problem. Both the computational demands for parameterization, degeneracy of obtained parameter solutions and interpretability of results has so far limited widespread adoption of large-scale kinetic models despite their potential. Herein, we introduce the Kinetic Estimation Tool Capturing Heterogeneous Datasets Using Pyomo (KETCHUP), a flexible parameter estimation tool that leverages a primal-dual interior-point algorithm to solve a nonlinear programming (NLP) problem that identifies a set of parameters capable of recapitulating the (non)steady-state fluxes and concentrations in wild-type and perturbed metabolic networks. KETCHUP is benchmarked against previously parameterized large-scale kinetic models demonstrating an at least an order of magnitude faster convergence than the tool K-FIT while at the same time attaining better data fits. Finally, this versatile toolbox accepts different kinetic descriptions, metabolic fluxes, enzyme levels and metabolite concentrations, under either steady-state or instationary conditions to enable robust kinetic model construction and parameterization. KETCHUP supports the SBML format and can be accessed at https://github.com/maranasgroup/KETCHUP.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Elsevier","journal_name":"Metabolic Engineering","journal_volume":"82","format":"Medium: ED; Size: p. 123-133","authors":["Hu, Mengqi [Pennsylvania State Univ., University Park, PA (United States); Center for Advanced Bioenergy and Bioproducts Innovation (CABBI), Urbana, IL (United States)]","Suthers, Patrick F. [Pennsylvania State Univ., University Park, PA (United States); Center for Advanced Bioenergy and Bioproducts Innovation (CABBI), Urbana, IL (United States)]","Maranas, Costas D. [Pennsylvania State Univ., University Park, PA (United States); Center for Advanced Bioenergy and Bioproducts Innovation (CABBI), Urbana, IL (United States)] (ORCID:0000000215081398)"],"subjects":["59 BASIC BIOLOGICAL SCIENCES"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0018420; AC05-00OR22725; SC0018260","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Univ. of Illinois at Urbana-Champaign, IL (United States)"},{"name":"Center for Advanced Bioenergy and Bioproducts Innovation (CABBI), Urbana, IL (United States)"}],"research_orgs":["Univ. of Illinois at Urbana-Champaign, IL (United States)","Center for Advanced Bioenergy and Bioproducts Innovation (CABBI), Urbana, IL (United States)"],"journal_issn":"ISSN 1096-7176","other_identifiers":["Journal ID: ISSN 1096-7176"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309746"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309746"}]}, {"osti_id":"2290435","title":"Polyphosphate kinase deletion increases laboratory productivity in cyanobacteria","doi":"10.3389/fpls.2024.1342496","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Plant Science Journal Volume: 15","description":"<p>\n Identification and manipulation of cellular energy regulation mechanisms may be a strategy to increase productivity in photosynthetic organisms. This work tests the hypothesis that polyphosphate synthesis and degradation play a role in energy management by storing or dissipating energy in the form of ATP. A polyphosphate kinase (\n <italic>ppk<\/italic>\n ) knock-out strain unable to synthesize polyphosphate was generated in the cyanobacterium\n <italic>Synechocystis<\/italic>\n sp. PCC 6803. This mutant strain demonstrated higher ATP levels and faster growth than the wildtype strain in high-carbon conditions and had a growth defect under multiple stress conditions. In a strain that combined\n <italic>ppk<\/italic>\n deletion with heterologous expression of ethylene-forming enzyme, higher ethylene productivity was observed than in the wildtype background. These results support the role of polyphosphate synthesis and degradation as an energy regulation mechanism and suggest that such mechanisms may be effective targets in biocontainment design.\n <\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Plant Science","journal_volume":"15","format":"Medium: X","authors":["Sebesta, Jacob","Cantrell, Michael","Schaedig, Eric","Hou, Harvey J. M.","Pastore, Colleen","Chou, Katherine J.","Xiong, Wei","Guarnieri, Michael T.","Yu, Jianping"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1664-462X","other_identifiers":["Journal ID: ISSN 1664-462X; 1342496"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290435"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290435"}]}, {"osti_id":"2280748","title":"Structure and bonding in rhodium coordination compounds: a\n <sup>103<\/sup>\n Rh solid-state NMR and relativistic DFT study","doi":"10.1039/D3SC06026H","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Chemical Science Journal Volume: 15 Journal Issue: 6","description":"<p>\n We present the rapid and robust acquisition of\n <sup>103<\/sup>\n Rh solid-state NMR spectra for a series of inorganic and organometallic compounds. Relativistic DFT calculations provide relationships between\n <sup>103<\/sup>\n Rh chemical shift tensors, structure, and bonding.\n <\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Chemical Science","journal_issue":"6","journal_volume":"15","format":"Medium: X; Size: p. 2181-2196","authors":["Holmes, Sean T. [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA, National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA] (ORCID:0000000258219641)","Schönzart, Jasmin [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA, National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA]","Philips, Adam B. [Department of Chemistry, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA] (ORCID:0000000257426817)","Kimball, James J. [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA, National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA] (ORCID:0000000249936892)","Termos, Sara [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA, National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA]","Altenhof, Adam R. [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA, National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA]","Xu, Yijue [National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA] (ORCID:0000000298755609)","O\'Keefe, Christopher A. [Department of Chemistry & Biochemistry, University of Windsor, Windsor, ON, N9B 3P4, Canada] (ORCID:0000000331150768)","Autschbach, Jochen [Department of Chemistry, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA] (ORCID:000000019392877X)","Schurko, Robert W. [Department of Chemistry & Biochemistry, Florida State University, Tallahassee, FL 32306, USA, National High Magnetic Field Laboratory, Tallahassee, FL 32310, USA] (ORCID:000000025093400X)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-6520","other_identifiers":["Journal ID: ISSN 2041-6520; CSHCBM"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2280748"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2280748"}]}, {"osti_id":"2282664","title":"Exciton dynamics from the mapping approach to surface hopping: comparison with Förster and Redfield theories","doi":"10.1039/D3CP05926J","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 6","description":"<p>The mapping approach to surface hopping captures the Förster and Redfield limits of excitation energy transfer, and everything in between.<\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"6","journal_volume":"26","format":"Medium: X; Size: p. 4929-4938","authors":["Runeson, Johan E. [Department of Chemistry, University of Oxford, Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford, OX1 3QZ, UK] (ORCID:0000000185113650)","Fay, Thomas P. [Department of Chemistry, University of California, Berkeley, California 94720, USA] (ORCID:000000030625731X)","Manolopoulos, David E. [Department of Chemistry, University of Oxford, Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford, OX1 3QZ, UK] (ORCID:0000000271110763)"],"article_type":"Published Article","doe_contract_number":"FOA0002019","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282664"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282664"}]}, {"osti_id":"2320370","title":"Generalized kinetic equation for tokamak plasma equilibrium distribution function","doi":"10.1063/5.0178831","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physics of Plasmas; Journal Volume: 31; Journal Issue: 2; Conference: 1. European Conference on Magnetic Reconnection in Plasmas, Marseille (France), 23-26 May 2023; Related Information: https://pubs.aip.org/pop/collection/13391/1st-European-Conference-on-Magnetic-Reconnection","description":"A generalised kinetic equation for the equilibrium distribution function in a finite beta, arbitrary tokamak plasma is derived. The equation is correct to second order in ρ/L (ρ is the particle Larmor radius and L is the system size). Resolving finite Larmor radius length scales with no restriction on the ratio of poloidal to total equilibrium magnetic field, B<sub>$\\vartheta$<\/sub>/B, it generalises the drift kinetic theory of [Hazeltine Phys. Plasmas 15 (1973) 77] to the limit of B<sub>$\\vartheta$<\/sub>/B ~ 1 (e.g. to ensure validity for spherical tokamaks). Two cases are considered. The first provides the equilibrium distribution function, consistent with the generalised gyrokinetic formalism of [Dudkovskaia et al. Plasma Phys. Control. Fusion 65 (2023) 045010], derived specifically to capture neoclassical equilibrium currents in gyrokinetic stability analyses in strong gradient regions. The second assumes short length scales in the direction perpendicular to the magnetic field, which can occur as a result of small coherent magnetic structures in the plasma, such as neoclassical tearing mode magnetic islands close to threshold. This then extends the drift island equations of [Dudkovskaia et al. Nucl. Fusion 63 (2023) 016020] for the plasma response to magnetic islands to a spherical tokamak plasma configuration. In conclusion, resolving ρ ~ ρ<sub>$\\vartheta$<\/sub> (or B<sub>$\\vartheta$<\/sub> ~ B), where ρ<sub>$\\vartheta$<\/sub> is the particle poloidal Larmor radius, is also expected to influence calculations of the magnetic island propagation frequency and the associated contributions to the island onset conditions.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Physics of Plasmas","journal_issue":"2","journal_volume":"31","format":"Medium: ED; Size: Article No. 022301","authors":["Dudkovskaia, Alexandra V. [Univ. of York (United Kingdom)] (ORCID:0000000168903079)","Wilson, H. R. [Univ. of York (United Kingdom); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000333337470)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1070-664X","other_identifiers":["Journal ID: ISSN 1070-664X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320370"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320370"}]}, {"osti_id":"2290381","title":"Tailoring p-Type Behavior in ZnO Quantum Dots through Enhanced Sol–Gel Synthesis: Mechanistic Insights into Zinc Vacancies","report_number":"PNNL-SA-194761","doi":"10.1021/acs.jpclett.3c03519","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry Letters Journal Volume: 15 Journal Issue: 6","description":"The synthesis and control of properties of p-type ZnO is crucial for a variety of optoelectronic and spintronic applications; however, it remains challenging due to the control of intrinsic midgap (defect) states. Here, in this study, we demonstrate a synthetic route to yield colloidal ZnO quantum dots (QD) via an enhanced sol–gel process that effectively eliminates the residual intermediate reaction molecules, which would otherwise weaken the excitonic emission. This process supports the creation of ZnO with p-type properties or compensation of inherited n-type defects, primarily due to zinc vacancies under oxygen-rich conditions. The in-depth analysis of carrier recombination in the midgap across several time scales reveals microsecond carrier lifetimes at room temperature which are expected to occur via zinc vacancy defects, supporting the promoted p-type character of the synthesized ZnO QDs.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry Letters","journal_issue":"6","journal_volume":"15","format":"Medium: X; Size: p. 1755-1764","authors":["Kahraman, Abdullah [Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland] (ORCID:0000000316113061)","Socie, Etienne [École polytechnique fédérale de Lausanne (EPFL), Rte Cantonale, 1015 Lausanne, Switzerland]","Nazari, Maryam [Institute of Applied Physics, University of Bern, Sidlerstrasse 5, 3012 Bern, Switzerland] (ORCID:0000000200877334)","Kazazis, Dimitrios [Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland] (ORCID:0000000221242813)","Buldu-Akturk, Merve [Faculty of Engineering and Natural Sciences, Sabanci University, Tuzla 34956 Istanbul, Turkey]","Kabanova, Victoria [Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland]","Biasin, Elisa [Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States]","Smolentsev, Grigory [Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland] (ORCID:0000000173487276)","Grolimund, Daniel [Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland] (ORCID:0000000197217940)","Erdem, Emre [Faculty of Engineering and Natural Sciences, Sabanci University, Tuzla 34956 Istanbul, Turkey] (ORCID:0000000283950364)","Moser, Jacques E. [École polytechnique fédérale de Lausanne (EPFL), Rte Cantonale, 1015 Lausanne, Switzerland] (ORCID:0000000307474666)","Cannizzo, Andrea [Institute of Applied Physics, University of Bern, Sidlerstrasse 5, 3012 Bern, Switzerland] (ORCID:0000000223250112)","Bacellar, Camila [Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland] (ORCID:000000032166241X)","Milne, Christopher [European XFEL GmbH, 22869 Schenefeld, Germany]"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","defects","defects in solids","oxides","quantum dots","zinc"],"article_type":"Published Article","doe_contract_number":"FWP 16248; AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 1948-7185","other_identifiers":["Journal ID: ISSN 1948-7185"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290381"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290381"}]}, {"osti_id":"2316146","title":"Machine Learning Analysis of RB-TnSeq Fitness Data Predicts Functional Gene Modules in Pseudomonas putida KT2440","report_number":"NREL/JA-2A00-89002","doi":"10.1128/msystems.00942-23","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: mSystems","description":"There is growing interest in engineering Pseudomonas putida KT2440 as a microbial chassis for the conversion of renewable and waste-based feedstocks, and metabolic engineering of P. putida relies on the understanding of the functional relationships between genes. In this work, independent component analysis (ICA) was applied to a compendium of existing fitness data from randomly barcoded transposon insertion sequencing (RB-TnSeq) of P. putida KT2440 grown in 179 unique experimental conditions. ICA identified 84 independent groups of genes, which we call fModules (\"functional modules\"), where gene members displayed shared functional influence in a specific cellular process. This machine learning-based approach both successfully recapitulated previously characterized functional relationships and established hitherto unknown associations between genes. Selected gene members from fModules for hydroxycinnamate metabolism and stress resistance, acetyl coenzyme A assimilation, and nitrogen metabolism were validated with engineered mutants of P. putida. Additionally, functional gene clusters from ICA of RB-TnSeq data sets were compared with regulatory gene clusters from prior ICA of RNAseq data sets to draw connections between gene regulation and function. Because ICA profiles the functional role of several distinct gene networks simultaneously, it can reduce the time required to annotate gene function relative to manual curation of RB-TnSeq data sets.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","journal_name":"mSystems","format":"Medium: X","authors":["Borchert, Andrew J.","Bleem, Alissa C.","Lim, Hyun Gyu","Rychel, Kevin","Dooley, Keven D.","Kellermyer, Zoe A.","Hodges, Tracy L.","Palsson, Bernhard O.","Beckham, Gregg T. (ORCID:000000023480212X)"],"subjects":["BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","amino acid metabolism","aromatic catabolism","functional genomics","independent component analysis","machine learning","Pseudomonas putida","RB-TnSeq","transposon insertion sequencing"],"article_type":"","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"other_identifiers":["MainId:89781;UUID:8d2b7b60-6aa1-4993-bb45-b7617bca82e4;MainAdminId:71986"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316146"}]}, {"osti_id":"2301742","title":"Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography","doi":"10.1039/D3RA08081A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: RSC Advances Journal Volume: 14 Journal Issue: 8","description":"Applications of 9-aminoacridine (9aa) and its derivatives span fields such as chemistry, biology, and medicine, including anticancer and antimicrobial activities. Protonation of such molecules can alter their bioavailability as weakly basic drugs like aminoacridines exhibit reduced solubility at high pH levels potentially limiting their effectiveness in patients with elevated gastric pH. In this study, we analyse the influence of protonation on the electronic characteristics of the molecular organic crystals of 9-aminoacridine. The application of quantum crystallography, including aspherical atom refinement, has enriched the depiction of electron density in the studied systems and non-covalent interactions, providing more details than previous studies. Our experimental results, combined with a topological analysis of the electron density and its Laplacian, provided detailed descriptions of how protonation changes the electron density distribution around the amine group and water molecule, concurrently decreasing the electron density at bond critical points of N/O-H bonds. Protonation also alters the molecular architecture of the systems under investigation. This is reflected in different proportions of the N<sup>...<\/sup>H and O<sup>...<\/sup>H intermolecular contacts for the neutral and protonated forms. Periodic DFT calculations of the cohesive energies of the crystal lattice, as well as computed interaction energies between molecules in the crystal, confirm that protonation stabilises the crystal structure due to a positive synergy between strong halogen and hydrogen bonds. Our findings highlight the potential of quantum crystallography in predicting crystal structure properties and point to its possible applications in developing new formulations for poorly soluble drugs.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"RSC Advances","journal_issue":"8","journal_volume":"14","format":"Medium: X; Size: p. 5340-5350","authors":["Pawlędzio, Sylwia [Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA, Department of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Żwirki i Wigury 101, 02-093, Warszawa, Poland] (ORCID:0000000308863022)","Ziemniak, Marcin [Department of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Żwirki i Wigury 101, 02-093, Warszawa, Poland] (ORCID:0000000345250997)","Trzybiński, Damian [Department of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Żwirki i Wigury 101, 02-093, Warszawa, Poland] (ORCID:0000000339205532)","Arhangelskis, Mihails [Department of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Żwirki i Wigury 101, 02-093, Warszawa, Poland] (ORCID:0000000311503108)","Makal, Anna [Department of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Żwirki i Wigury 101, 02-093, Warszawa, Poland]","Woźniak, Krzysztof [Department of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Żwirki i Wigury 101, 02-093, Warszawa, Poland] (ORCID:000000020277294X)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725; 2018/31/B/ST4/02142","orgs_sponsor":[{"name":"USDOE"},{"name":"Polish National Science Centre (NCN)"}],"sponsor_orgs":["USDOE","Polish National Science Centre (NCN)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2046-2069","other_identifiers":["Journal ID: ISSN 2046-2069; RSCACL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301742"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301742"}]}, {"osti_id":"2290392","title":"Machine learning analysis of RB-TnSeq fitness data predicts functional gene modules in\n <i>Pseudomonas putida<\/i>\n KT2440","doi":"10.1128/msystems.00942-23","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: mSystems","description":"<p>\n This study demonstrates a rapid, automated approach for elucidating functional modules within complex genetic networks. While\n <italic>Pseudomonas putida<\/italic>\n randomly barcoded transposon insertion sequencing data were used as a proof of concept, this approach is applicable to any organism with existing functional genomics data sets and may serve as a useful tool for many valuable applications, such as guiding metabolic engineering efforts in other microbes or understanding functional relationships between virulence-associated genes in pathogenic microbes. Furthermore, this work demonstrates that comparison of data obtained from independent component analysis of transcriptomics and gene fitness datasets can elucidate regulatory-functional relationships between genes, which may have utility in a variety of applications, such as metabolic modeling, strain engineering, or identification of antimicrobial drug targets.\n <\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"American Society for Microbiology","journal_name":"mSystems","format":"Medium: X","authors":["Borchert, Andrew J. [Renewable Resources and Enabling Sciences Center, National Renewable Energy Laboratory, Golden, Colorado, USA, Center for Bioenergy Innovation, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA] (ORCID:0000000314353643)","Bleem, Alissa C. [Renewable Resources and Enabling Sciences Center, National Renewable Energy Laboratory, Golden, Colorado, USA, Center for Bioenergy Innovation, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA, Agile BioFoundry, Emeryville, California, USA] (ORCID:0000000315862554)","Lim, Hyun Gyu [Department of Bioengineering, University of California San Diego, La Jolla, California, USA, Joint BioEnergy Institute, Emeryville, California, USA, Department of Biological Engineering, Inha University, Incheon, Korea] (ORCID:0000000204692388)","Rychel, Kevin [Department of Bioengineering, University of California San Diego, La Jolla, California, USA]","Dooley, Keven D. [Renewable Resources and Enabling Sciences Center, National Renewable Energy Laboratory, Golden, Colorado, USA, Agile BioFoundry, Emeryville, California, USA]","Kellermyer, Zoe A. [Renewable Resources and Enabling Sciences Center, National Renewable Energy Laboratory, Golden, Colorado, USA, Center for Bioenergy Innovation, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA]","Hodges, Tracy L. [Renewable Resources and Enabling Sciences Center, National Renewable Energy Laboratory, Golden, Colorado, USA, Agile BioFoundry, Emeryville, California, USA]","Palsson, Bernhard O. [Department of Bioengineering, University of California San Diego, La Jolla, California, USA, Joint BioEnergy Institute, Emeryville, California, USA, Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, Lyngby, Denmark, Department of Pediatrics, University of California, San Diego, California, USA] (ORCID:0000000323576785)","Beckham, Gregg T. [Renewable Resources and Enabling Sciences Center, National Renewable Energy Laboratory, Golden, Colorado, USA, Center for Bioenergy Innovation, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA, Agile BioFoundry, Emeryville, California, USA] (ORCID:000000023480212X)","Hallam, ed., Steven J."],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2379-5077","other_identifiers":["Journal ID: ISSN 2379-5077; e00942-23"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290392"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290392"}]}, {"osti_id":"2282387","title":"Accelerated acquisition of wideline solid-state NMR spectra of spin 3/2 nuclei by frequency-stepped indirect detection experiments","report_number":"IS-J-11,243","doi":"10.1039/D3CP05055F","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 6","description":"73% of all NMR-active nuclei are quadrupolar nuclei with a nuclear spin I > 1/2. The broadening of the solid-state NMR signals by the quadrupolar interaction often leads to poor sensitivity and low resolution. In this work we present experimental and theoretical investigations of magic angle spinning (MAS) <sup>1<\/sup>H{X} double-echo resonance-echo saturation-pulse double-resonance (DE-RESPDOR) and Y{X} J-resolved solid-state NMR experiments for the indirect detection of spin 3/2 quadrupolar nuclei (X = spin 3/2 nuclei, Y = spin 1/2 nuclei). In these experiments, the spectrum of the quadrupolar nucleus is reconstructed by plotting the observed dephasing of the detected spin as a function of the transmitter offset of the indirectly detected spin. Numerical simulations were used to investigate the achievable levels of dephasing and to predict the lineshapes of indirectly detected NMR spectra of the quadrupolar nucleus. We demonstrate <sup>1<\/sup>H, <sup>31<\/sup>P and <sup>207<\/sup>Pb detection of <sup>35<\/sup>Cl, <sup>81<\/sup>Br, and <sup>63<\/sup>Cu (I = 3/2) nuclei in trans-Cl<sub>2<\/sub>Pt(NH<sub>3<\/sub>)<sub>2<\/sub> (transplatin), (CH<sub>3<\/sub>NH<sub>3<\/sub>)PbCl<sub>3<\/sub> (methylammonium lead chloride, MAPbCl<sub>3<\/sub>), (CH<sub>3<\/sub>NH<sub>3<\/sub>)PbBr<sub>3<\/sub> (methylammonium lead bromide, MAPbBr<sub>3<\/sub>) and CH<sub>3<\/sub>C(CH<sub>2<\/sub>PPh<sub>2<\/sub>)<sub>3<\/sub>CuI (1,1,1-tris(diphenylphosphinomethyl)ethane copper(I) iodide, triphosCuI), respectively. In all of these experiments, we were able to detect megahertz wide central transition or satellite transition powder patterns. Significant time savings and gains in sensitivity were attained in several test cases. Additionally, the indirect detection experiments provide valuable structural information because they confirm the presence of dipolar or scalar couplings between the detected nucleus and the quadrupolar nucleus of interest. Finally, numerical simulations suggest these methods are also potentially applicable to abundant spin 5/2 and spin 7/2 quadrupolar nuclei.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"6","journal_volume":"26","format":"Medium: X; Size: p. 5081-5096","authors":["Lamahewage, Sujeewa N. S. [US Department of Energy, Ames National Laboratory, Ames, Iowa, 50011, USA, Iowa State University, Department of Chemistry, Ames, IA, 50011, USA]","Atterberry, Benjamin A. [US Department of Energy, Ames National Laboratory, Ames, Iowa, 50011, USA, Iowa State University, Department of Chemistry, Ames, IA, 50011, USA]","Dorn, Rick W. [US Department of Energy, Ames National Laboratory, Ames, Iowa, 50011, USA, Iowa State University, Department of Chemistry, Ames, IA, 50011, USA]","Gi, Eunbyeol [US Department of Energy, Ames National Laboratory, Ames, Iowa, 50011, USA, Iowa State University, Department of Chemistry, Ames, IA, 50011, USA] (ORCID:0000000308468655)","Kimball, Maxwell R. [Texas A&M University, Department of Chemistry, College Station, Texas, 77842, USA] (ORCID:0000000254778569)","Blümel, Janet [Texas A&M University, Department of Chemistry, College Station, Texas, 77842, USA] (ORCID:0000000265573518)","Vela, Javier [US Department of Energy, Ames National Laboratory, Ames, Iowa, 50011, USA, Iowa State University, Department of Chemistry, Ames, IA, 50011, USA] (ORCID:0000000151246893)","Rossini, Aaron J. [US Department of Energy, Ames National Laboratory, Ames, Iowa, 50011, USA, Iowa State University, Department of Chemistry, Ames, IA, 50011, USA] (ORCID:0000000216799203)"],"article_type":"Published Article","doe_contract_number":"AC02-07CH11358","subjects":[],"orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282387"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282387"}]}, {"osti_id":"2290433","title":"Challenging thermodynamics: combining immiscible elements in a single-phase nano-ceramic","doi":"10.1038/s41467-024-45413-w","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n The Hume-Rothery rules governing solid-state miscibility limit the compositional space for new inorganic material discovery. Here, we report a non-equilibrium, one-step, and scalable flame synthesis method to overcome thermodynamic limits and incorporate immiscible elements into single phase ceramic nanoshells. Starting from prototype examples including (NiMg)O, (NiAl)O\n <sub>x<\/sub>\n , and (NiZr)O\n <sub>x<\/sub>\n , we then extend this method to a broad range of Ni-containing ceramic solid solutions, and finally to general binary combinations of elements. Furthermore, we report an “encapsulated exsolution” phenomenon observed upon reducing the metastable porous (Ni\n <sub>0.07<\/sub>\n Al\n <sub>0.93<\/sub>\n )O\n <sub>x<\/sub>\n to create ultra-stable Ni nanoparticles embedded within the walls of porous Al\n <sub>2<\/sub>\n O\n <sub>3<\/sub>\n nanoshells. This nanoconfined structure demonstrated high sintering resistance during 640 h of catalysis of CO\n <sub>2<\/sub>\n reforming of methane, maintaining constant 96% CH\n <sub>4<\/sub>\n and CO\n <sub>2<\/sub>\n conversion at 800 °C and dramatically outperforming conventional catalysts. Our findings could greatly expand opportunities to develop novel inorganic energy, structural, and functional materials.\n <\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Liu, Shuo","Dun, Chaochao (ORCID:0000000232156478)","Jiang, Qike","Xuan, Zhengxi","Yang, Feipeng (ORCID:0000000254703241)","Guo, Jinghua (ORCID:0000000285762172)","Urban, Jeffrey J. (ORCID:0000000349092869)","Swihart, Mark T. (ORCID:000000029652687X)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 1167; PII: 45413"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290433"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290433"}]}, {"osti_id":"2290426","title":"Quantifying the Entropy and Enthalpy of Insertion Materials for Battery Applications Via the Multi-Species, Multi-Reaction Model","doi":"10.1149/1945-7111/ad1d27","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society Journal Volume: 171 Journal Issue: 2","description":"<p>The entropy coefficient of a battery cell is the property that governs the amount of reversible heat that is generated during operation. In this work, we propose an extension of the Multi-Species, Multi-Reaction (MSMR) model to capture the entropy coefficient of a large format lithium-ion battery cell. We utilize the hybridized time-frequency domain analysis (HTFDA) method using a multi-functional calorimeter to probe the entropy coefficient of a large format pouch type lithium-ion battery with a NMC 811 cathode and a graphite anode. The measured entropy coefficient profile of the battery cell is deconvoluted into an entropy coefficient for each active material, which is then estimated using an extension of the MSMR model. Finally, we extend the entropy of a material to individual entropy for each gallery as treated by the model.<\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"Journal of the Electrochemical Society","journal_issue":"2","journal_volume":"171","format":"Medium: X; Size: Article No. 023502","authors":["Garrick, Taylor R. (ORCID:0000000322518129)","Koch, Brian J.","Choi, Munnyeong","Du, Xiaoniu","Adeyinka, Adekanmi M.","Staser, John A. (ORCID:0000000228328687)","Choe, Song-Yul"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290426"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290426"}]}, {"osti_id":"2316019","title":"Dynamic operation of metal-supported solid oxide electrolysis cells","doi":"10.1016/j.ijhydene.2024.01.345","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: International Journal of Hydrogen Energy; Journal Volume: 59","description":"Symmetric-structure metal-supported solid oxide fuel cells and electrolysis cells (MS-SOFCs, MS-SOECs) offer several advantages over conventional solid oxide cells, including the use of inexpensive materials, high mechanical strength, and rapid ramp-up ability. Aggressive operation of MS-SOCs in fuel cell mode is well-established, including extremely fast start-up, redox tolerance, and imbalanced pressure. Here, we extend dynamic operation to MS-SOCs in SOEC mode with high steam content for both small button cells and a large rectangular cell, including: steam cycling, thermal cycling, redox cycling and power cycling. Steam cycling entailed switching between 3:97 and 50:50 steam:hydrogen ratio. For thermal cycling, the temperature was rapidly varied between 150°C and 700°C for 50 cycles. Redox cycling involved switching the steam side gas between 50 % humidified H<sub>2<\/sub> and 50 % humidified N<sub>2<\/sub> for 5 cycles. Power cycling was performed by operating the cell under variable current density, resulting in cell voltage between 1.3V and 2.8V. Degradation rates for each testing strategy were compared to a baseline cell, and found to be similar. In conclusion, the excellent tolerance to dynamic operation increases confidence that MS-SOECs will be compatible with dynamic or intermittent renewable resources.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Elsevier","journal_name":"International Journal of Hydrogen Energy","journal_volume":"59","format":"Medium: ED; Size: p. 316-321","authors":["Zhu, Zhikuan [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]","Hu, Boxun [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000208234632)","Tucker, Michael C. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:000000028508499X)"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO)"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO)","USDOE Office of Energy Efficiency and Renewable Energy (EERE)"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 0360-3199","other_identifiers":["Journal ID: ISSN 0360-3199; ark:/13030/qt2g40m8k5"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316019"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316019"}]}, {"osti_id":"2308865","title":"La\n <sub>0.6<\/sub>\n Sr\n <sub>0.4<\/sub>\n CoO\n <sub>3−δ<\/sub>\n Films Under Deoxygenation: Magnetic And Electronic Transitions Are Apart from The Structural Phase Transition","doi":"10.1002/adfm.202313208","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Functional Materials","description":"<title>Abstract<\/title>\n <p>\n Topotactic phase transitions induced by changes in the oxygen vacancy concentration can largely alter the physical properties of complex oxides, including electronic and magnetic phases, while maintaining the structural integrity of the crystal lattice. An oxygen‐vacancy‐induced topotactic phase transition from perovskite (PV) to brownmillerite (BM) is achieved in epitaxial La\n <sub>0.6<\/sub>\n Sr\n <sub>0.4<\/sub>\n CoO\n <sub>3−δ<\/sub>\n (LSCO) thin films. Two novel intermediate states with different oxygen content are identified by X‐ray diffraction, which involves a single‐phase reduced PV state and a mixed state of co‐existing PV and BM. The combination of depth‐sensitive polarized neutron reflectometry (PNR) and Rutherford backscattering (RBS) allows a quantitative determination of magnetization and the mean oxygen content in all states, revealing a continuous transition from La\n <sub>0.6<\/sub>\n Sr\n <sub>0.4<\/sub>\n CoO\n <sub>2.97<\/sub>\n to La\n <sub>0.6<\/sub>\n Sr\n <sub>0.4<\/sub>\n CoO\n <sub>2.5<\/sub>\n . BM formation is observed for an LSCO layer with an oxygen content of 2.67, while the magnetic and electronic transition already occurs for a layer with a higher oxygen content of 2.77 (and above) and in the absence of a BM signature. These results demonstrate that the physics of electronic metal‐to‐insulator transition (MIT), magnetic ferromagnet‐to‐non‐ferromagnet transition (FM‐to‐non‐FM), and structural PV‐to‐BM phase transition should be considered within the framework of separate but interrelated processes.\n <\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Functional Materials","format":"Medium: X","authors":["He, Suqin [Peter Grünberg Institute (PGI‐7) Forschungszentrum Jülich GmbH 52425 Jülich Germany, Jülich Centre for Neutron Science (JCNS‐2) and Peter Grünberg Institut (PGI‐4) JARA‐FIT Forschungszentrum Jülich GmbH 52425 Jülich Germany, Jülich‐Aachen Research Alliance (JARA‐FIT) RWTH Aachen University 52056 Aachen Germany] (ORCID:000000030443460X)","Petracic, Oleg [Jülich Centre for Neutron Science (JCNS‐2) and Peter Grünberg Institut (PGI‐4) JARA‐FIT Forschungszentrum Jülich GmbH 52425 Jülich Germany] (ORCID:0000000251389832)","Lauter, Valeria [Neutron Scattering Division Neutron Sciences Directorate Oak Ridge National Laboratory Oak Ridge TN 37831 USA] (ORCID:0000000309896563)","Cao, Lei [Jülich Centre for Neutron Science (JCNS‐2) and Peter Grünberg Institut (PGI‐4) JARA‐FIT Forschungszentrum Jülich GmbH 52425 Jülich Germany, Institute of Ion Beam Physics and Materials Research Helmholtz‐Zentrum Dresden‐Rossendorf 01328 Dresden Germany] (ORCID:0000000346284515)","Zhou, Yunxia [Institute of Ion Beam Physics and Materials Research Helmholtz‐Zentrum Dresden‐Rossendorf 01328 Dresden Germany] (ORCID:0000000309954794)","Weber, Moritz Lukas [Peter Grünberg Institute (PGI‐7) Forschungszentrum Jülich GmbH 52425 Jülich Germany, Jülich‐Aachen Research Alliance (JARA‐FIT) RWTH Aachen University 52056 Aachen Germany] (ORCID:0000000311052474)","Schubert, Jürgen [Semiconductor Nanoelectronics (PGI‐9) Forschungszentrum Jülich GmbH 52425 Jülich Germany] (ORCID:0000000301856794)","Concepción, Omar [Semiconductor Nanoelectronics (PGI‐9) Forschungszentrum Jülich GmbH 52425 Jülich Germany] (ORCID:0000000181977523)","Dittmann, Regina [Peter Grünberg Institute (PGI‐7) Forschungszentrum Jülich GmbH 52425 Jülich Germany, Jülich‐Aachen Research Alliance (JARA‐FIT) RWTH Aachen University 52056 Aachen Germany] (ORCID:0000000318861864)","Waser, Rainer [Peter Grünberg Institute (PGI‐7) Forschungszentrum Jülich GmbH 52425 Jülich Germany, Jülich‐Aachen Research Alliance (JARA‐FIT) RWTH Aachen University 52056 Aachen Germany, Institut für Werkstoffe der Elektrotechnik 2 RWTH Aachen University 52056 Aachen Germany] (ORCID:0000000290808980)","Brückel, Thomas [Jülich Centre for Neutron Science (JCNS‐2) and Peter Grünberg Institut (PGI‐4) JARA‐FIT Forschungszentrum Jülich GmbH 52425 Jülich Germany, Jülich‐Aachen Research Alliance (JARA‐FIT) RWTH Aachen University 52056 Aachen Germany] (ORCID:0000000313780416)","Gunkel, Felix [Peter Grünberg Institute (PGI‐7) Forschungszentrum Jülich GmbH 52425 Jülich Germany, Jülich‐Aachen Research Alliance (JARA‐FIT) RWTH Aachen University 52056 Aachen Germany]"],"subjects":["electronic and magnetic phase transitions","ionotronics","oxide electronics","polarized neutron reflectivity","topotactic phase transition"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1616-301X","other_identifiers":["Journal ID: ISSN 1616-301X; 2313208"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308865"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308865"}]}, {"osti_id":"2315034","title":"A Sockeye Model of a Test at the Michigan Single Sodium Heat Pipe Facility","report_number":"INL/CON-23-76037-Rev000","product_type":"Conference","language":"English","country_publication":"United States","relation":"Conference: 2024 ANS Student Conference, University Park, Pennsylvania, 04/04/2024 - 04/06/2024","description":"This conference summary describes a Sockeye model of an experiment at a single heat pipe test facility called MISOH1 at the University of Michigan.","publication_date":"2024-04-04T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","format":"Medium: ED","authors":["Hansel, Joshua E [Idaho National Laboratory] (ORCID:0000000167825275)","Silva Bourdot Dutra, Carolina da [Pennsylvania State University]","Huang, Pei-Hsun [University of Michigan]","Ahn, Taehwan [University of Michigan]"],"subjects":["97 - MATHEMATICS AND COMPUTING","Sockeye","heat pipe"],"doe_contract_number":"DE-AC07-05ID14517","orgs_sponsor":[{"name":"58"}],"sponsor_orgs":["58"],"orgs_research":[{"name":"Idaho National Laboratory (INL), Idaho Falls, ID (United States)"}],"research_orgs":["Idaho National Laboratory (INL), Idaho Falls, ID (United States)"],"conference_info":"Conference: 2024 ANS Student Conference, University Park, Pennsylvania, 04/04/2024 - 04/06/2024","links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315034"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2315034"}]}, {"osti_id":"2290411","title":"Investigation of core transport changes in DIII-D discharges with off-axis T\n <sub>e<\/sub>\n profile peaks","doi":"10.1088/1361-6587/ad1b88","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Plasma Physics and Controlled Fusion Journal Volume: 66 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n DIII-D discharges that transition to H-mode solely with off-axis electron cyclotron heating (ECH) often exhibit strong off-axis peaking of electron temperature profiles at the heating location. Electron heat transport properties near these off-axis temperature peaks have been studied using modulated ECH. The Fourier analyzed electron temperature data have been used to infer electron thermal diffusivity. Comparisons with numerical solutions of the time-dependent electron thermal equation find that the data are consistent with a narrow region with electron diffusivity\n <italic>χ<\/italic>\n <sub>\n <italic>e<\/italic>\n <\/sub>\n an order of magnitude lower than the average value across the plasma, suggesting an electron internal transport barrier (ITB) near the ECH heating location. Detailed profile analysis and equilibrium reconstructions suggest that the formation of these ITBs are correlated with off-axis values of the safety factor\n <italic>q<\/italic>\n being near 1. Furthermore, the ECH driven H-mode discharges demonstrate more rapid electron heating rate near the ECH deposition location than L-mode discharges with higher auxiliary ECH heating power. Additional modeling attributes this difference to the modification of electron heat transport in the core at the L-H transition, which also sustains the off-axis electron temperature peaks.\n <\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"IOP Publishing","journal_name":"Plasma Physics and Controlled Fusion","journal_issue":"3","journal_volume":"66","format":"Medium: X; Size: Article No. 035013","authors":["Xie, R. (ORCID:0000000266626140)","Austin, M. E. (ORCID:0000000200178605)","Gentle, K. (ORCID:0000000186887842)","Petty, C. C. (ORCID:0000000345349073)"],"article_type":"Published Article","doe_contract_number":"FC02-04ER54698","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0741-3335","other_identifiers":["Journal ID: ISSN 0741-3335"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290411"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290411"}]}, {"osti_id":"2290432","title":"Bright Excitonic Fine Structure in Metal-Halide Perovskites: From Two-Dimensional to Bulk","doi":"10.1021/jacs.3c11957","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society Journal Volume: 146 Journal Issue: 7","description":"The optical response of two-dimensional (2D) perovskites, often referred to as natural quantum wells, is primarily governed by excitons, whose properties can be readily tuned by adjusting the perovskite layer thickness. We have investigated the exciton fine structure splitting in the archetypal 2D perovskite (PEA)<sub>2<\/sub>(MA)<sub>n–1<\/sub>PbnI<sub>3n+1<\/sub> with varying numbers of inorganic octahedral layers n = 1, 2, 3, and 4. We demonstrate that the in-plane excitonic states exhibit splitting and orthogonally oriented dipoles for all confinement regimes. The evolution of the exciton states in an external magnetic field provides further insights into the g-factors and diamagnetic coefficients. With increasing n, we observe a gradual evolution of the excitonic parameters characteristic of a 2D to three-dimensional transition. Our results provide valuable information concerning the evolution of the optoelectronic properties of 2D perovskites with the changing confinement strength.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of the American Chemical Society","journal_issue":"7","journal_volume":"146","format":"Medium: X; Size: p. 4687-4694","authors":["Posmyk, Katarzyna [Department of Experimental Physics, Faculty of Fundamental Problems of Technology, Wroclaw University of Science and Technology, Wroclaw 50-370, Poland, Laboratoire National des Champs Magnétiques Intenses, EMFL, CNRS UPR 3228, Université Grenoble Alpes, Université Toulouse, Université Toulouse 3, INSA-T, 38042 Grenoble, Toulouse 31400, France] (ORCID:0000000346555231)","Zawadzka, Natalia [Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Warsaw 02-093, Poland] (ORCID:0000000232829513)","Łucja Kipczak, [Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Warsaw 02-093, Poland] (ORCID:0000000312660201)","Dyksik, Mateusz [Department of Experimental Physics, Faculty of Fundamental Problems of Technology, Wroclaw University of Science and Technology, Wroclaw 50-370, Poland] (ORCID:0000000349458795)","Surrente, Alessandro [Department of Experimental Physics, Faculty of Fundamental Problems of Technology, Wroclaw University of Science and Technology, Wroclaw 50-370, Poland] (ORCID:0000000340784965)","Maude, Duncan K. [Laboratoire National des Champs Magnétiques Intenses, EMFL, CNRS UPR 3228, Université Grenoble Alpes, Université Toulouse, Université Toulouse 3, INSA-T, 38042 Grenoble, Toulouse 31400, France]","Kazimierczuk, Tomasz [Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Warsaw 02-093, Poland] (ORCID:0000000165454167)","Babiński, Adam [Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Warsaw 02-093, Poland]","Molas, Maciej R. [Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Warsaw 02-093, Poland] (ORCID:0000000255169415)","Bumrungsan, Wakul [Department of Materials Science and Engineering, School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology (VISTEC), Rayong 21210, Thailand]","Chooseng, Chanisara [Department of Chemical and Biomolecular Engineering, School of Energy Science and Engineering, Vidyasirimedhi Institute of Science and Technology (VISTEC), Rayong 21210, Thailand]","Paritmongkol, Watcharaphol [Department of Materials Science and Engineering, School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology (VISTEC), Rayong 21210, Thailand, Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States, Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States] (ORCID:0000000316386828)","Tisdale, William A. [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States] (ORCID:0000000266155342)","Baranowski, Michał [Department of Experimental Physics, Faculty of Fundamental Problems of Technology, Wroclaw University of Science and Technology, Wroclaw 50-370, Poland] (ORCID:0000000259740850)","Plochocka, Paulina [Department of Experimental Physics, Faculty of Fundamental Problems of Technology, Wroclaw University of Science and Technology, Wroclaw 50-370, Poland, Laboratoire National des Champs Magnétiques Intenses, EMFL, CNRS UPR 3228, Université Grenoble Alpes, Université Toulouse, Université Toulouse 3, INSA-T, 38042 Grenoble, Toulouse 31400, France] (ORCID:0000000240196138)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Energy","Excitons","Magnetic properties","Optical properties","Perovskites"],"article_type":"Published Article","doe_contract_number":"SC0019345; 2020/38/A/ST3/00214; 2020/39/D/ST3/03000; 2021/43/D/ST3/01444; BPN/BKK/2021/1/00002/U/00001; 2018/31/B/ST3/02111; 2017/27/B/ST3/00205","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"MAESTRO"},{"name":"National Science Centre, Poland"},{"name":"Polish National Agency for Academic Exchange"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","MAESTRO","National Science Centre, Poland","Polish National Agency for Academic Exchange"],"orgs_research":[{"name":"Laboratoire National des Champs Magnetiques Intenses, Toulouse (France)"}],"research_orgs":["Laboratoire National des Champs Magnetiques Intenses, Toulouse (France)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290432"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290432"}]}, {"osti_id":"2294135","title":"Unique Aluminum Clusters Stabilized by Cation‐Ligand Cooperativity","report_number":"LA-UR-23-28871","doi":"10.1002/ejic.202300695","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: European Journal of Inorganic Chemistry Journal Volume: 27 Journal Issue: 8","description":"<title>Abstract<\/title>\n <p>\n Two novel cyclic Al\n <sub>3<\/sub>\n clusters, Li\n <sub>2<\/sub>\n [Al\n <sub>3<\/sub>\n (PR\n <sub>2<\/sub>\n )\n <sub>6<\/sub>\n ] ⋅ 2(Et\n <sub>2<\/sub>\n O) [R=Ph (\n <bold>1<\/bold>\n ), Cy (\n <bold>2<\/bold>\n )] were synthesized through salt metathesis of metastable AlCl ⋅ (Et\n <sub>2<\/sub>\n O)\n <sub>\n <italic>n<\/italic>\n <\/sub>\n solutions with LiPR\n <sub>2<\/sub>\n . Both complexes were characterized by single crystal X‐Ray diffraction and their solid state and electronic structures are compared to previously reported cyclic Al\n <sub>3<\/sub>\n clusters. Compounds\n <bold>1<\/bold>\n and\n <bold>2<\/bold>\n were further characterized using density functional theory (DFT) methods to understand the nature of the free electron and the three‐center two‐electron Al−Al bonds. Calculations revealed that both clusters are influenced by pseudo Jahn‐Teller distortion and are likely in equilibrium between two low energy bonding states. The solid‐state structures of\n <bold>1<\/bold>\n and\n <bold>2<\/bold>\n are unique among Al\n <sub>3<\/sub>\n clusters, while the electronic structure is similar to the previously reported [Si\n <sup>t<\/sup>\n <sub>4<\/sub>\n Al\n <sub>3<\/sub>\n ]. In aluminum chemistry,\n <bold>1<\/bold>\n and\n <bold>2<\/bold>\n are rare examples of clusters containing isoelectronic cores in different ligand environments. The effects of the phosphide ligand sphere and strongly coordinated lithium atoms are discussed in detail.\n <\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"European Journal of Inorganic Chemistry","journal_issue":"8","journal_volume":"27","format":"Medium: X","authors":["Davis, Jack V. [High Explosives Science and Technology Division Los Alamos National Laboratory. 87545 Los Alamos New Mexico United States] (ORCID:0000000236431721)","Stevens, Lauren [High Explosives Science and Technology Division Los Alamos National Laboratory. 87545 Los Alamos New Mexico United States]","DeCarlo, Samantha M. [Department of Chemistry &, Biochemistry University of Maryland College Park 20742 Maryland United States]","Mayo, Dennis H. [United States Government Accountability Office 20226 Washington DC United States]","Zavalij, Peter Y. [Department of Chemistry &, Biochemistry University of Maryland College Park 20742 Maryland United States]","Snyder, Christopher J. [High Explosives Science and Technology Division Los Alamos National Laboratory. 87545 Los Alamos New Mexico United States] (ORCID:0000000196109681)","Eichhorn, Bryan W. [Department of Chemistry &, Biochemistry University of Maryland College Park 20742 Maryland United States]"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001","subjects":[],"orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 1434-1948","other_identifiers":["Journal ID: ISSN 1434-1948; e202300695"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294135"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294135"}]}, {"osti_id":"2290447","title":"Non-classical crystallization in soft and organic materials","doi":"10.1038/s41578-023-00637-y","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nature Reviews. Materials","description":"Classical nucleation and crystal growth theories describe how nuclei form, become stable after reaching a critical size and then enlarge through monomer attachment. More than two decades ago, non-classical pathways have been proposed for various types of (bio)molecules and materials, which can substantially alter the crystallization kinetics and outcomes. Direct observation of non-classical crystallization of inorganic nanomaterials, including metastable structure-mediated and particle attachment-based pathways that usually occur on the nanoscale, was enabled by in situ liquid-phase electron microscopy. However, it was not until recently that the crystallization dynamics of beam-sensitive soft materials were directly imaged with sufficient spatial resolution, and a level of microstructural understanding of defects and interfaces emerged. This article provides a high-level review of the non-classical crystallization pathways discovered in soft and organic materials and a forward-looking guide for future research. We first analyse how the characteristics of soft materials affect their crystallization pathways and kinetics. We then identify technical approaches to studying the crystallization trajectories of soft materials and discuss strategies to properly select and apply them to different systems. Breakthroughs made in understanding the crystallization of small organic molecules, (bio)macromolecules, colloids and reticular framework materials are examined. Lastly, we provide an outlook on the challenges in elucidating soft material crystallization pathways and the opportunities for assisting the design and synthesis of new materials and structures.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Reviews. Materials","format":"Medium: ED","authors":["Du, Jingshan S. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000249326699)","Bae, Yuna [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000226041180)","De Yoreo, James J. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); University of Washington, Seattle, WA (United States)] (ORCID:000000029541733X)"],"subjects":["Phase transitions and critical phenomena","Physical chemistry","Soft materials"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0019288; AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Univ. of Washington, Seattle, WA (United States)"}],"research_orgs":["Univ. of Washington, Seattle, WA (United States)"],"journal_issn":"ISSN 2058-8437","other_identifiers":["Journal ID: ISSN 2058-8437"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290447"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290447"}]}, {"osti_id":"2299502","title":"Observationally constrained analysis of sulfur cycle in the marine atmosphere with NASA ATom measurements and AeroCom model simulations","report_number":"PNNL-SA-189719","doi":"10.5194/acp-24-1717-2024","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Atmospheric Chemistry and Physics (Online); Journal Volume: 24; Journal Issue: 3","description":"The atmospheric sulfur cycle plays a key role in air quality, climate, and ecosystems, such as pollution, radiative forcing, new particle formation, and acid rain. In this study, we compare the spatially and temporally resolved measurements from the NASA Atmospheric Tomography (ATom) mission with simulations from five AeroCom III models for four sulfur species (dimethyl sulfide (DMS), sulfur dioxide (SO<sub>2<\/sub>), particulate methanesulfonate (MSA), and particulate sulfate (SO<sub>4<\/sub>)). We focus on remote regions over the Pacific, Atlantic, and Southern oceans from near the surface to ~12 km altitude range covering all four seasons. In general, the differences among model results can be greater than 1 order of magnitude. Comparing with observations, model-simulated SO<sub>2<\/sub> is generally low, whereas SO<sub>4<\/sub> is generally high. Simulated DMS concentrations near the sea surface exceed observed levels by a factor of 5 in most cases, suggesting potential overestimation of DMS emissions in all models. With GEOS model simulations of tagging emission from anthropogenic, biomass burning, volcanic, and oceanic sources, we find that anthropogenic emissions are the dominant source of sulfate aerosol (40 %–60 % of the total amount) in the ATom measurements at almost all altitudes, followed by volcanic emissions (18 %–32 %) and oceanic sources (16 %–32 %). Similar source contributions can also be derived at broad ocean basins and on monthly scales, indicating the representativeness of ATom measurements for global ocean. Our work presents the first assessment of AeroCom sulfur study using ATom measurements, providing directions for improving sulfate simulations, which remain the largest uncertainty in radiative forcing estimates in aerosol climate models.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Copernicus Publications, EGU","journal_name":"Atmospheric Chemistry and Physics (Online)","journal_issue":"3","journal_volume":"24","format":"Medium: ED; Size: p. 1717-1741","authors":["Bian, Huisheng [University of Maryland Baltimore County (UMBC), Baltimore, MD (United States); NASA Goddard Space Flight Center (GSFC), Greenbelt, MD (United States)]","Chin, Mian [NASA Goddard Space Flight Center (GSFC), Greenbelt, MD (United States)]","Colarco, Peter R. [NASA Goddard Space Flight Center (GSFC), Greenbelt, MD (United States)] (ORCID:0000000335251662)","Apel, Eric C. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States)]","Blake, Donald R. [University of California, Irvine, CA (United States)]","Froyd, Karl [University of Colorado, Boulder, CO (United States)] (ORCID:0000000207976028)","Hornbrook, Rebecca S. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States)] (ORCID:0000000263046554)","Jimenez, Jose [University of Colorado, Boulder, CO (United States)] (ORCID:0000000162031847)","Jost, Pedro Campuzano [University of Colorado, Boulder, CO (United States)] (ORCID:000000033930010X)","Lawler, Michael [University of Colorado, Boulder, CO (United States); National Oceanic and Atmospheric Administration (NOAA), Boulder, CO (United States)]","Liu, Mingxu [Nagoya University (Japan)] (ORCID:0000000214191990)","Lund, Marianne Tronstad [Center for International Climate and Environmental Research Oslo (CICERO), Oslo (Norway)] (ORCID:0000000199114160)","Matsui, Hitoshi [Nagoya University (Japan)] (ORCID:0000000203760879)","Nault, Benjamin A. [University of Colorado, Boulder, CO (United States)] (ORCID:0000000194644787)","Penner, Joyce E. [University of Michigan, Ann Arbor, MI (United States)] (ORCID:000000015577452X)","Rollins, Andrew W. [University of Colorado, Boulder, CO (United States); National Oceanic and Atmospheric Administration (NOAA), Boulder, CO (United States)]","Schill, Gregory [National Oceanic and Atmospheric Administration (NOAA), Boulder, CO (United States)] (ORCID:0000000240840317)","Skeie, Ragnhild B. [Center for International Climate and Environmental Research Oslo (CICERO), Oslo (Norway)] (ORCID:0000000312464446)","Wang, Hailong [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000219944402)","Xu, Lu [California Institute of Technology (CalTech), Pasadena, CA (United States)] (ORCID:0000000200219876)","Zhang, Kai [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000304576368)","Zhu, Jialei [Tianjin University (China)] (ORCID:0000000320578996)"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; 1852977; JP19H05699; JP19KK0265; JP20H00196; JP20H00638; JP22H03722; JP22F22092; JP23H00515; JP23H00523; JP23K18519; NNX15AG61A; 314997","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Science Foundation (NSF)"},{"name":"Japan Society for the Promotion of Science (JSPS)"},{"name":"Ministry of Education, Culture, Sports, Science, and Technology"},{"name":"National Aeronautics and Space Administration (NASA)"},{"name":"National Infrastructure for High Performance Computing and Data Storage in Norway (UNINETT)"},{"name":"Research Council of Norway"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Science Foundation (NSF)","Japan Society for the Promotion of Science (JSPS)","Ministry of Education, Culture, Sports, Science, and Technology","National Aeronautics and Space Administration (NASA)","National Infrastructure for High Performance Computing and Data Storage in Norway (UNINETT)","Research Council of Norway"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 1680-7324","other_identifiers":["Journal ID: ISSN 1680-7324"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2299502"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2299502"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2299502"}]}, {"osti_id":"2319206","title":"Wet-Etching of Acoustically Spalled GaAs for Substrate Reuse","report_number":"NREL/JA-5900-87558","doi":"10.1109/JPHOTOV.2024.3355405","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: IEEE Journal of Photovoltaics; Journal Volume: 14; Journal Issue: 2","description":"Acoustic spalling is a promising technique for substrate reuse in the fabrication of gallium arsenide (GaAs) photovoltaic cells. However, the acoustic spalling process can leave the substrate with areas of rough surface morphology that can interfere with subsequent cell growth and processing. In this work, we investigate the use of wet etchants to smooth the surface of acoustically spalled GaAs substrates. We evaluated six different etchants. Of those tested, an 8:1:1 mixture of sulfuric acid, hydrogen peroxide, and water at 30 degrees C and a moderate stirring rate showed the greatest roughness reduction per mass loss while producing the desired morphology. This etchant was then applied to an acoustically spalled 2-inch GaAs wafer. A single-junction GaAs cell was then grown via metalorganic vapor-phase epitaxy on this substrate, an acoustic spalled substrate without a smoothing etch, and an epi-ready substrate. Use of the 8:1:1 H2SO4:H2O2:H2O etchant produced cells an average efficiency of 12.8% as compared to that of 2.0% grown on the unetched acoustically spalled substrate and 16.3% grown on the epi-ready substrate. The results of this work demonstrate that wet etching is a viable method for smoothing the surface of spalled GaAs substrates, paving the way for substrate reuse via acoustic spalling at efficiencies that approach growth on epi-ready substrates.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","journal_name":"IEEE Journal of Photovoltaics","journal_issue":"2","journal_volume":"14","format":"Medium: X","authors":["Neumann, Anica N.","Coll, Pablo G.","Bertoni, Mariana I.","Steiner, Myles A. (ORCID:0000000316439766)","Warren, Emily L. (ORCID:0000000185687881)"],"subjects":["SOLAR ENERGY","etching","gallium arsenide","photovoltaic cells","semiconductor epitaxial layers","spalling"],"article_type":"","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"other_identifiers":["MainId:88333;UUID:03b20bfc-ccc9-4510-9ddd-370771eddaa1;MainAdminId:72017"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319206"}]}, {"osti_id":"2290415","title":"Effects of open circuit immersion and vertex potential on potentiodynamic polarization scans of metallic biomaterials","doi":"10.1038/s41529-023-00420-y","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: npj Materials Degradation Journal Volume: 8 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Electrodes made of commercially pure titanium (CP-Ti) and a CoCrMo alloy are immersed at an open circuit in a phosphate buffer saline electrolyte at room temperature for different durations prior to electrochemical analyses. Open circuit potential measurements, electrochemical impedance spectroscopy measurements, and cyclic potentiodynamic polarization (CPP) scans are used to assess the impact of the immersion time on derived property values. Stable passivation layers formed on both materials during immersion. The corrosion potentials determined from the anodic legs of CPP scans become more cathodic, and the corrosion currents decrease to lower values after longer immersion times. Measured currents indicate the layers formed on CP-Ti stabilize during forward anodic scans and persist to the vertex potential, whereas passivation breakdown occurs during anodic scans with CoCrMo with active corrosion at voltages up to the vertex potential. The characteristics of the return cathodic legs of CPP scans represent the surface conditions at the vertex potential: characteristic corrosion property values derived from the test responses represent passive surfaces on CP-Ti and leached surfaces on CoCrMo rather than intrinsic properties of those materials.<\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"npj Materials Degradation","journal_issue":"1","journal_volume":"8","format":"Medium: X","authors":["Gattu, V. K. (ORCID:0000000307265813)","Obregon, J. (ORCID:0000000254191012)","Ebert, W. L.","Indacochea, J. E."],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2397-2106","other_identifiers":["Journal ID: ISSN 2397-2106; 18; PII: 420"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290415"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290415"}]}, {"osti_id":"2007665","title":"Spiers Memorial Lecture: Water at interfaces","doi":"10.1039/D3FD00147D","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Faraday Discussions Journal Volume: 249","description":"<p>In this article we discuss current issues in the context of the four chosen subtopics for the meeting: dynamics and nano-rheology of interfacial water, electrified/charged aqueous interfaces, ice interfaces, and soft matter/water interfaces.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Faraday Discussions","journal_volume":"249","format":"Medium: X; Size: p. 9-37","authors":["Devlin, Shane W. [Department of Chemistry, University of California, Berkeley, CA 94720, USA, Chemical Sciences Division, Lawrence Berkeley National Lab, Berkeley, CA 94720, USA] (ORCID:0000000331895073)","Bernal, Franky [Department of Chemistry, University of California, Berkeley, CA 94720, USA, Chemical Sciences Division, Lawrence Berkeley National Lab, Berkeley, CA 94720, USA] (ORCID:0000000166536367)","Riffe, Erika J. [Department of Chemistry, University of California, Berkeley, CA 94720, USA, Chemical Sciences Division, Lawrence Berkeley National Lab, Berkeley, CA 94720, USA] (ORCID:000000027369562X)","Wilson, Kevin R. [Chemical Sciences Division, Lawrence Berkeley National Lab, Berkeley, CA 94720, USA] (ORCID:0000000302640872)","Saykally, Richard J. [Department of Chemistry, University of California, Berkeley, CA 94720, USA, Chemical Sciences Division, Lawrence Berkeley National Lab, Berkeley, CA 94720, USA] (ORCID:0000000189423656)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1359-6640","other_identifiers":["Journal ID: ISSN 1359-6640; FDISE6"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2007665"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2007665"}]}, {"osti_id":"2281444","title":"Synthesis and self-assembly of the amphiphilic homopolymers poly(4-hydroxystyrene) and poly(4-(4-bromophenyloxy)styrene)","doi":"10.1039/D3PY01124K","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Polymer Chemistry Journal Volume: 15 Journal Issue: 6","description":"<p>Amphiphilic homopolymer synthesis and formation of micelles and vesicles in selective solvents.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Polymer Chemistry","journal_issue":"6","journal_volume":"15","format":"Medium: X; Size: p. 565-576","authors":["Hurley, Christopher M. [Department of Chemistry, University of Tennessee, Knoxville, TN 37996, USA]","Changez, Mohammad [College of Health Sciences, University of Buraimi, Buraimi, Oman] (ORCID:0000000153048962)","Johnstone, Megan E. [Department of Nutrition, University of Tennessee, Knoxville, TN 37996, USA]","Alrahbi, Hilal [College of Health Sciences, University of Buraimi, Buraimi, Oman]","Anwar, Mohammad Faiyaz [Department of Pathology, All Indian Institute of Medical Sciences, Ansari Nager, New Delhi, India]","Donohoe, Dallas [Department of Nutrition, University of Tennessee, Knoxville, TN 37996, USA]","Kang, Nam-Goo [Department of Chemistry, University of Tennessee, Knoxville, TN 37996, USA]","Mays, Jimmy [Department of Chemistry, University of Tennessee, Knoxville, TN 37996, USA] (ORCID:000000024826190X)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1759-9954","other_identifiers":["Journal ID: ISSN 1759-9954; PCOHC2"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281444"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281444"}]}, {"osti_id":"2202521","title":"Insight into the K channel\'s selectivity from binding of K\n <sup>+<\/sup>\n , Na\n <sup>+<\/sup>\n and water to\n <i>N<\/i>\n -methylacetamide","doi":"10.1039/D3FD00110E","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Faraday Discussions Journal Volume: 249","description":"<p>Binding site occupancy and the mechanism of K selectivity involve multiple K binding in multiple neighboring layers, or sites, of the K channel selectivity filter.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Faraday Discussions","journal_volume":"249","format":"Medium: X; Size: p. 195-209","authors":["Stevens, Mark J. [Center for Integrated Nanotechnologies, Sandia National Laboratories, Albuquerque, NM 87185, USA] (ORCID:0000000222900224)","Rempe, Susan L. B. [Center for Integrated Nanotechnologies, Sandia National Laboratories, Albuquerque, NM 87185, USA] (ORCID:0000000316232108)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1359-6640","other_identifiers":["Journal ID: ISSN 1359-6640; FDISE6"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2202521"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2202521"}]}, {"osti_id":"2280873","title":"Nurturing the blossoming hydrogen economy using HBAT: modelling every link in the H\n <sub>2<\/sub>\n supply chain","doi":"10.1039/D3EE02789A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Energy & Environmental Science Journal Volume: 17 Journal Issue: 3","description":"<p>We present a techno-economic analysis that evaluates hydrogen technology value chains, incorporating economic, environmental, and societal considerations for 824 supply chain variations.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Energy & Environmental Science","journal_issue":"3","journal_volume":"17","format":"Medium: X; Size: p. 838-866","authors":["Alfonso Vargas, Nicolas [Department of Chemistry, University of Southern California, Los Angeles, CA 90089, USA] (ORCID:0000000276751850)","Kim, Moon Jung [Department of Chemistry, University of Southern California, Los Angeles, CA 90089, USA] (ORCID:000000018146578X)","Alfonso Vargas, Carlos D. [University of Central Florida, Orlando, FL 32816, USA] (ORCID:0009000750899594)","Alfonso, Daniel F. [University of South Florida, Tampa, FL 33620, USA]","Evans, Justin T. [University of Central Florida, Orlando, FL 32816, USA]"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1754-5692","other_identifiers":["Journal ID: ISSN 1754-5692; EESNBY"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2280873"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2280873"}]}, {"osti_id":"2290393","title":"Indirect Liftoff Mechanism for High‐Throughput, Single‐Source Laser Scribing for Perovskite Solar Modules","doi":"10.1002/aenm.202303175","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Energy Materials","description":"<title>Abstract<\/title>\n <p>\n A high‐throughput, single‐source laser scribing method exploiting a transparent conducting oxide (TCO) indirect liftoff mechanism is developed to produce serially interconnected perovskite solar modules. The TCO‐based indirect liftoff mechanism relies solely on laser absorption in the front transparent electrode material reducing thermal damage to the overlying layers and allowing for fast scribing speeds with low‐cost μs‐pulse duration fiber laser systems. Minimal resistive power losses are observed with the method compared to conventional ablative laser scribes, maintaining the power conversion efficiencies of small‐area devices (≈0.2 cm\n <sup>2<\/sup>\n ) across significantly larger deposition areas (≈1 cm\n <sup>2<\/sup>\n ). Demonstrating > 3 m s\n <sup>−1<\/sup>\n processing speeds, TCO‐based liftoff provides the highest throughput laser scribing method for thin‐film photovoltaic devices produced on glass/TCO substrates, capable of processing large‐area perovskite solar modules at a manufacturing scale.\n <\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Energy Materials","format":"Medium: X","authors":["Flick, Austin C. [Department of Materials Science and Engineering Stanford University Stanford CA 94305‐2205 USA] (ORCID:0000000296570619)","Rolston, Nicholas [Department of Materials Science and Engineering Stanford University Stanford CA 94305‐2205 USA] (ORCID:0000000180931689)","Dauskardt, Reinhold H. [Department of Materials Science and Engineering Stanford University Stanford CA 94305‐2205 USA] (ORCID:0000000293328667)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1614-6832","other_identifiers":["Journal ID: ISSN 1614-6832; 2303175"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290393"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290393"}]}, {"osti_id":"2222981","title":"Enthalpy-uphill exciton dissociation in organic/2D heterostructures promotes free carrier generation","doi":"10.1039/D3MH01522J","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Materials Horizons Journal Volume: 11 Journal Issue: 3","description":"<p>Despite the large binding energy of charge transfer (CT) excitons in type-II organic/2D heterostructures, it has been demonstrated that enthalpy-uphill exciton dissociation can occur spontaneously, which can lead to a long carrier lifetime.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Materials Horizons","journal_issue":"3","journal_volume":"11","format":"Medium: X; Size: p. 813-821","authors":["Rudayni, Fatimah [Department of Physics and Astronomy, University of Kansas, Lawrence, Kansas 66045, US, Department of Physics, Jazan University, Jazan 45142, Saudi Arabia]","Rijal, Kushal [Department of Physics and Astronomy, University of Kansas, Lawrence, Kansas 66045, US]","Fuller, Neno [Department of Physics and Astronomy, University of Kansas, Lawrence, Kansas 66045, US]","Chan, Wai-Lun [Department of Physics and Astronomy, University of Kansas, Lawrence, Kansas 66045, US] (ORCID:0000000186979894)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2051-6347","other_identifiers":["Journal ID: ISSN 2051-6347; MHAOAL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2222981"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2222981"}]}, {"osti_id":"2290405","title":"Machine Learning Design of Perovskite Catalytic Properties","doi":"10.1002/aenm.202303684","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Energy Materials","description":"<title>Abstract<\/title>\n <p>Discovering new materials that efficiently catalyze the oxygen reduction and evolution reactions is critical for facilitating the widespread adoption of solid oxide fuel cell and electrolyzer (SOFC/SOEC) technologies. Here, machine learning (ML) models are developed to predict perovskite catalytic properties critical for SOFC/SOEC applications, including oxygen surface exchange, oxygen diffusivity, and area specific resistance (ASR). The models are based on trivial‐to‐calculate elemental features and are more accurate and dramatically faster than the best models based on ab initio‐derived features, potentially eliminating the need for ab initio calculations in descriptor‐based screening. The model of ASR enables temperature‐dependent predictions, has well calibrated uncertainty estimates and online accessibility. Use of temporal cross‐validation reveals the model to be effective at discovering new promising materials prior to their initial discovery, demonstrating the model can make meaningful predictions. Using the SHapley Additive ExPlanations (SHAP) approach, detailed discussion of different approaches of model featurization is provided for ML property prediction. Finally, the model is used to screen more than 19 million perovskites to develop a list of promising cheap, earth‐abundant, stable, and high performing materials, and find some top materials contain mixtures of less‐explored elements (e.g., K, Bi, Y, Ni, Cu) worth exploring in more detail.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Energy Materials","format":"Medium: X","authors":["Jacobs, Ryan [Department of Materials Science and Engineering University of Wisconsin‐Madison Madison WI 53706 USA] (ORCID:0000000322296730)","Liu, Jian [National Energy Technology Lab Morgantown WV 26505 USA]","Abernathy, Harry [National Energy Technology Lab Morgantown WV 26505 USA]","Morgan, Dane [Department of Materials Science and Engineering University of Wisconsin‐Madison Madison WI 53706 USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1614-6832","other_identifiers":["Journal ID: ISSN 1614-6832; 2303684"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290405"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290405"}]}, {"osti_id":"2217625","title":"PAL 2.0: a physics-driven bayesian optimization framework for material discovery","doi":"10.1039/D3MH01474F","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Materials Horizons Journal Volume: 11 Journal Issue: 3","description":"<p>PAL 2.0 provides an efficient discovery tool for advanced functional materials, ameliorating a major bottleneck to enabling advances in next-generation energy, health, and sustainability technologies.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Materials Horizons","journal_issue":"3","journal_volume":"11","format":"Medium: X; Size: p. 781-791","authors":["Priyadarshini, Maitreyee Sharma [Department of Chemical and Biomolecular Engineering, Johns Hopkins University, 3400 North Charles Street, Baltimore, 21218, Maryland, USA] (ORCID:0000000349502792)","Romiluyi, Oluwaseun [Department of Chemical and Biomolecular Engineering, Johns Hopkins University, 3400 North Charles Street, Baltimore, 21218, Maryland, USA] (ORCID:0000000180696463)","Wang, Yiran [Department of Chemical and Biomolecular Engineering, Johns Hopkins University, 3400 North Charles Street, Baltimore, 21218, Maryland, USA] (ORCID:0009000787891262)","Miskin, Kumar [Department of Materials Science and Engineering, Johns Hopkins University, 3400 North Charles Street, Baltimore, 21218, Maryland, USA] (ORCID:0009000187230567)","Ganley, Connor [Department of Chemical and Biomolecular Engineering, Johns Hopkins University, 3400 North Charles Street, Baltimore, 21218, Maryland, USA] (ORCID:0000000338513218)","Clancy, Paulette [Department of Chemical and Biomolecular Engineering, Johns Hopkins University, 3400 North Charles Street, Baltimore, 21218, Maryland, USA] (ORCID:0000000204686420)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2051-6347","other_identifiers":["Journal ID: ISSN 2051-6347; MHAOAL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2217625"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2217625"}]}, {"osti_id":"2310340","title":"Robust unfolding of MeV x-ray spectra from filter stack spectrometer data","report_number":"LA-UR-23-33454","doi":"10.1063/5.0190679","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Review of Scientific Instruments; Journal Volume: 95; Journal Issue: 2","description":"Here, we present an inversion method capable of robustly unfolding MeV x-ray spectra from filter stack spectrometer (FSS) data without requiring an a priori specification of a spectral shape or arbitrary termination of the algorithm. Our inversion method is based upon the perturbative minimization (PM) algorithm, which has previously been shown to be capable of unfolding x-ray transmission data, albeit for a limited regime in which the x-ray mass attenuation coefficient of the filter material increases monotonically with x-ray energy. Our inversion method improves upon the PM algorithm through regular smoothing of the candidate spectrum and by adding stochasticity to the search. With these additions, the inversion method does not require a physics model for an initial guess, fitting, or user-selected termination of the search. Instead, the only assumption made by the inversion method is that the x-ray spectrum should be near a smooth curve. Testing with synthetic data shows that the inversion method can successfully recover the primary large-scale features of MeV x-ray spectra, including the number of x-rays in energy bins of several-MeV widths to within 10%. Fine-scale features, however, are more difficult to recover accurately. Examples of unfolding experimental FSS data obtained at the Texas Petawatt Laser Facility and the OMEGA EP laser facility are also presented.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Review of Scientific Instruments","journal_issue":"2","journal_volume":"95","format":"Medium: ED; Size: Article No. 023301","authors":["Wong, Chun-Shang [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000226987208)","Strehlow, Joseph Robert [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000155760945)","Broughton, David Paul [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000347008133)","Luedtke, Scott Vernon [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000316702835)","Huang, Chengkun [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000231768042)","Bogale, A. [Univ. of San Diego, San Diego, CA (United States)]","Fitzgarrald, R. [Univ. of Michigan, Ann Arbor, MI (United States)] (ORCID:0000000316338113)","Nedbailo, R. [Univ. of Texas, Austin, TX (United States)] (ORCID:0000000196691819)","Schmidt IV, John Louis [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0009000044599762)","Schmidt, Thomas Robert [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000195770910)","Twardowski, J. [The Ohio State Univ., Columbus, OH (United States)] (ORCID:0000000202466782)","Van Pelt, Ashlyn Kaylee [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Univ. of Texas, Austin, TX (United States)] (ORCID:0009000908439943)","Alvarez, Mariana Alvarado [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0009000783586711)","Junghans, Ann Sylvia [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000170614663)","Mix, La Moyne Tyler [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000281363457)","Reinovsky, Robery Emil [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)]","Rusby, D. R. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000173886226)","Wang, Zhehui [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000178264063)","Wolfe, Bradley Thomas [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000268301614)","Albright, Brian James [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000277896525)","Batha, Steven H. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000273956527)","Palaniyappan, Sasikumar [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)]"],"subjects":["47 OTHER INSTRUMENTATION","Hard X-rays","Bremsstrahlung","X-ray spectroscopy","X-ray diagnostics"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001; SC0021125","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program","USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0034-6748","other_identifiers":["Journal ID: ISSN 0034-6748"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310340"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310340"}]}, {"osti_id":"2294122","title":"Te Vacancy‐Driven Anomalous Transport in ZrTe\n <sub>5<\/sub>\n and HfTe\n <sub>5<\/sub>","doi":"10.1002/apxr.202300111","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Advanced Physics Research","description":"<title>Abstract<\/title>\n <p>\n The strongly sample‐dependent anomalous transport properties observed in the layered Dirac materials ZrTe\n <sub>5<\/sub>\n and HfTe\n <sub>5<\/sub>\n are known to strongly correlate with the presence of Te vacancies. One phenomenon, a negative longitudinal magnetoresistance (NLMR), is widely speculated to be a signature of broken chiral symmetry. However, the role of electronic structure in the sample dependence of the transport properties of these materials is poorly understood. This prompts the question as to whether the NLMR is a genuine signature of the chiral anomaly in ZrTe\n <sub>5<\/sub>\n and HfTe\n <sub>5<\/sub>\n . In this work, the effect of Te vacancies on the electronic structure of ZrTe\n <sub>5<\/sub>\n and HfTe\n <sub>5<\/sub>\n is investigated via first‐principles calculations. Te vacancies serve two purposes: modification of the cell volume via effective compressive strain and production of local changes to the electronic structure. The reorganization of the electronic structure near the Fermi energy indicates that Te vacancies can rationalize conflicting reports in spectroscopic and transport measurements that have remained elusive in prior first‐principles studies. These results show that Te vacancies contribute, in part, to the anomalous transport properties of ZrTe\n <sub>5<\/sub>\n and HfTe\n <sub>5<\/sub>\n but, critically, do not eliminate the possibility of a genuine manifestation of the chiral anomaly in these materials.\n <\/p>","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Physics Research","format":"Medium: X","authors":["Peterson, Elizabeth A. [Theoretical Division Los Alamos National Laboratory Los Alamos NM 87545 USA]","Lane, Christopher [Theoretical Division Los Alamos National Laboratory Los Alamos NM 87545 USA]","Zhu, Jian‐Xin [Theoretical Division Los Alamos National Laboratory Los Alamos NM 87545 USA, Center for Integrated Nanotechnology Los Alamos National Laboratory Los Alamos NM 87545 USA] (ORCID:0000000179913918)"],"article_type":"Published Article","doe_contract_number":"DE‐AC02‐05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2751-1200","other_identifiers":["Journal ID: ISSN 2751-1200; 2300111"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294122"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294122"}]}, {"osti_id":"2317758","title":"Local site behavior of the 5$d$ and 4$f$ ions in the frustrated pyrochlore Ho<sub>2<\/sub>Os<sub>2<\/sub>O<sub>7<\/sub>","doi":"10.1103/physrevb.109.054408","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 5","description":"The pyrochlore osmate Ho<sub>2<\/sub>Os<sub>2<\/sub>O<sub>7<\/sub> is a candidate material for a fragile J=0 local singlet ground state, however little is known regarding the single-ion behavior of either the Os or Ho ions. To address this we present polarized neutron powder diffraction (PNPD) and resonant inelastic x-ray scattering (RIXS) measurements that separately probe the local site behavior of the Os and Ho ions. The PNPD results are dominated by Ho<sup>3+<\/sup> scattering and the analysis reveals local site susceptibility behavior consistent with spin ice materials. Complimentary unpolarized neutron powder diffraction show an ordered spin ice ground state in an applied magnetic field. To isolate the Os<sup>4+<\/sup> single-ion behavior we present resonant inelastic x-ray scattering (RIXS) measurements at the osmium L-edge. Analysis of the RIXS spectra parameterize the spin-orbit coupling (0.35 eV), Hund’s coupling (0.27 eV) and trigonal distortion (-0.17 eV). Here, the results are considered within the context of a J=0 model and possible departures from this through structural distortions, excitonic interactions and 5d-4f interactions between the Os ion and the surrounding Ho lattice. The experimental methodology employed highlights the complimentary information available in rare earth based 5d pyrochlores from distinct neutron and x-ray scattering techniques that allow for the isolation and determination of the behavior of the different ions.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"5","journal_volume":"109","format":"Medium: ED; Size: Article No. 054408","authors":["Calder, Stuart [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000184023741)","Zhao, Zhiying [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000278788972)","Upton, Mary H. [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000299290487)","Yan, Jianqiang [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000166254706)"],"subjects":["magnetic systems","ineleastic x-ray scattering","neutron scattering"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; AC02-06CH11357","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317758"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317758"}]}, {"osti_id":"2290389","title":"Radio Frequency Properties of a 3D Printed Klystron Circuit","doi":"10.3390/instruments8010009","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Instruments Journal Volume: 8 Journal Issue: 1","description":"<p>The manufacturing of active RF devices like klystrons is dominated by expensive and time-consuming cycles of machining and brazing. In this article, we characterize the RF properties of X-band klystron cavities and an integrated circuit manufactured with a novel additive manufacturing process. Parts are 3D printed in 316 L stainless steel with direct metal laser sintering, electroplated in copper, and brazed in one simple braze cycle. Stand-alone test cavities and integrated circuit cavities were measured throughout the manufacturing process. The un-tuned cavity frequency varies by less than 5% of the intended frequency, and Q factors reach above 1200. A tuning study was performed, and unoptimized tuning pins achieved a tuning range of 138 MHz without compromising Q. Klystron system performance was simulated with as-built cavity parameters and realistic tuning. Together, these results show promise that this process can be used to cheaply and quickly manufacture a new generation of highly integrated high power vacuum devices.<\/p>","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"MDPI AG","journal_name":"Instruments","journal_issue":"1","journal_volume":"8","format":"Medium: X; Size: Article No. 9","authors":["Wehner, Charlotte (ORCID:0000000319289097)","Shirley, Bradley","Mathesen, Garrett","Merrick, Julian","Weatherford, Brandon","Nanni, Emilio Alessandro (ORCID:0000000219000778)"],"article_type":"Published Article","doe_contract_number":"AC02-76SF00515","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2410-390X","other_identifiers":["Journal ID: ISSN 2410-390X; INSTCO; PII: instruments8010009"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290389"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290389"}]}, {"osti_id":"2301791","title":"Boosting the electrochemical performance with functionalized dry electrodes for practical all-solid-state batteries","doi":"10.1039/D3TA05631G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 6","description":"<p>A functionalized dry electrode (FDE) incorporating solvate-ionic-liquid-infiltrated ethyl cellulose demonstrates the criticality of the role of the conductive binder for achieving improved electrochemical performance in all-solid-state batteries.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"6","journal_volume":"12","format":"Medium: X; Size: p. 3323-3330","authors":["Lee, Dongsoo [Materials Science and Engineering Program, Texas Materials Institute, The University of Texas at Austin, Austin, TX, 78712-1591, USA]","Manthiram, Arumugam [Materials Science and Engineering Program, Texas Materials Institute, The University of Texas at Austin, Austin, TX, 78712-1591, USA] (ORCID:0000000302379563)"],"article_type":"Published Article","doe_contract_number":"AC05-76RL01830","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301791"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301791"}]}, {"osti_id":"2217557","title":"NestedAE: interpretable nested autoencoders for multi-scale materials characterization","doi":"10.1039/D3MH01484C","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Materials Horizons Journal Volume: 11 Journal Issue: 3","description":"<p>The multi-scale features and latent space are connected by a nested autoencoder.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Materials Horizons","journal_issue":"3","journal_volume":"11","format":"Medium: X; Size: p. 700-707","authors":["Thota, Nikhil [Chemical and Biomolecular Engineering Department, Johns Hopkins University, Baltimore, MD, USA] (ORCID:0000000314729647)","Priyadarshini, Maitreyee Sharma [Chemistry Department, Johns Hopkins University, Baltimore, MD, USA, Chemical and Biomolecular Engineering Department, Johns Hopkins University, Baltimore, MD, USA] (ORCID:0000000349502792)","Hernandez, Rigoberto [Chemistry Department, Johns Hopkins University, Baltimore, MD, USA, Chemical and Biomolecular Engineering Department, Johns Hopkins University, Baltimore, MD, USA, Materials Science and Engineering Department, Johns Hopkins University, Baltimore, MD, USA] (ORCID:0000000185267414)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2051-6347","other_identifiers":["Journal ID: ISSN 2051-6347; MHAOAL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2217557"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2217557"}]}, {"osti_id":"2287699","title":"Opportunities and Challenges for Machine Learning-Assisted Enzyme Engineering","doi":"10.1021/acscentsci.3c01275","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Central Science Journal Volume: 10 Journal Issue: 2","description":"Enzymes can be engineered at the level of their amino acid sequences to optimize key properties such as expression, stability, substrate range, and catalytic efficiency–or even to unlock new catalytic activities not found in nature. Because the search space of possible proteins is vast, enzyme engineering usually involves discovering an enzyme starting point that has some level of the desired activity followed by directed evolution to improve its “fitness” for a desired application. Recently, machine learning (ML) has emerged as a powerful tool to complement this empirical process. ML models can contribute to (1) starting point discovery by functional annotation of known protein sequences or generating novel protein sequences with desired functions and (2) navigating protein fitness landscapes for fitness optimization by learning mappings between protein sequences and their associated fitness values. In this Outlook, we explain how ML complements enzyme engineering and discuss its future potential to unlock improved engineering outcomes.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Central Science","journal_issue":"2","journal_volume":"10","format":"Medium: X; Size: p. 226-241","authors":["Yang, Jason [Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States] (ORCID:0000000331841550)","Li, Francesca-Zhoufan [Division of Biology and Biological Engineering, California Institute of Technology, Pasadena, California 91125, United States] (ORCID:0000000257109512)","Arnold, Frances H. [Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States, Division of Biology and Biological Engineering, California Institute of Technology, Pasadena, California 91125, United States] (ORCID:000000024027364X)"],"subjects":["60 APPLIED LIFE SCIENCES","enzyme engineering","biocatalysis","directed evolution","machine learning","genetics","optimization","peptides and proteins","protein engineering","protein structure"],"article_type":"Published Article","doe_contract_number":"SC0022218","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"California Institute of Technology (Caltech), Pasadena, CA (United States)"},{"name":"California Institute of Technology (CalTech), Pasadena, CA (United States)"}],"research_orgs":["California Institute of Technology (Caltech), Pasadena, CA (United States)","California Institute of Technology (CalTech), Pasadena, CA (United States)"],"journal_issn":"ISSN 2374-7943","other_identifiers":["Journal ID: ISSN 2374-7943"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287699"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287699"}]}, {"osti_id":"2290442","title":"Uncovering the Network Modifier for Highly Disordered Amorphous Li‐Garnet Glass‐Ceramics","doi":"10.1002/adma.202302438","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Materials","description":"<title>Abstract<\/title>\n <p>\n Highly disordered amorphous Li\n <sub>7<\/sub>\n La\n <sub>3<\/sub>\n Zr\n <sub>2<\/sub>\n O\n <sub>12<\/sub>\n (aLLZO) is a promising class of electrolyte separators and protective layers for hybrid or all‐solid‐state batteries due to its grain‐boundary‐free nature and wide electrochemical stability window. Unlike low‐entropy ionic glasses such as Li\n <sub>x<\/sub>\n PO\n <sub>y<\/sub>\n N\n <sub>z<\/sub>\n (LiPON), these medium‐entropy non‐Zachariasen aLLZO phases offer a higher number of stable structure arrangements over a wide range of tunable synthesis temperatures, providing the potential to tune the LBU‐Li\n <sup>+<\/sup>\n transport relation. It is revealed that lanthanum is the active “network modifier” for this new class of highly disordered Li\n <sup>+<\/sup>\n conductors, whereas zirconium and lithium serve as “network formers”. Specifically, within the solubility limit of La in aLLZO, increasing the La concentration can result in longer bond distances between the first nearest neighbors of Zr─O and La─O within the same local building unit (LBU) and the second nearest neighbors of Zr─La across two adjacent network‐former and network‐modifier LBUs, suggesting a more disordered medium‐ and long‐range order structure in LLZO. These findings open new avenues for future designs of amorphous Li\n <sup>+<\/sup>\n electrolytes and the selection of network‐modifier dopants. Moreover, the wide yet relatively low synthesis temperatures of these glass‐ceramics make them attractive candidates for low‐cost and more sustainable hybrid‐ or all‐solid‐state batteries for energy storage.\n <\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Materials","format":"Medium: X","authors":["Zhu, Yuntong [Department of Materials Science and Engineering Massachusetts Institute of Technology Cambridge MA 02139 USA] (ORCID:0000000247448764)","Kennedy, Ellis R. [Department of Materials Science and Engineering University of California Berkeley CA 94720 USA] (ORCID:0000000216162595)","Yasar, Bengisu [Department of Materials Science and Engineering University of California Berkeley CA 94720 USA]","Paik, Haemin [Department of Materials Science and Engineering Massachusetts Institute of Technology Cambridge MA 02139 USA]","Zhang, Yaqian [Department of Materials Science and Engineering University of California Berkeley CA 94720 USA] (ORCID:0000000246923033)","Hood, Zachary D. [Department of Materials Science and Engineering Massachusetts Institute of Technology Cambridge MA 02139 USA, Applied Materials Division Argonne National Laboratory 9700 S. Cass Avenue Lemont IL 60439 USA] (ORCID:0000000257204392)","Scott, Mary [Department of Materials Science and Engineering University of California Berkeley CA 94720 USA, National Center for Electron Microscopy Molecular Foundry Lawrence Berkeley National Laboratory Berkeley CA 94720 USA] (ORCID:0000000295436725)","Rupp, Jennifer L. M. [Department of Materials Science and Engineering Massachusetts Institute of Technology Cambridge MA 02139 USA, Department of Chemistry Technical University Munich 85748 Garching Germany, TUMint. Energy Research GmbH Lichtenbergstr. 4 85747 Garching Germany, Department of Electrical and Computer Engineering Technical University Munich 80333 Munich Germany, Department of Electrical Engineering and Computer Science Massachusetts Institute of Technology Cambridge MA 02139 USA] (ORCID:0000000171600108)"],"article_type":"Published Article","doe_contract_number":"DE‐AC02‐05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0935-9648","other_identifiers":["Journal ID: ISSN 0935-9648; 2302438"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290442"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290442"}]}, {"osti_id":"2301665","title":"Directing CO<sub>2<\/sub> electroreduction pathways for selective C<sub>2<\/sub> product formation using single-site doped copper catalysts","doi":"10.1038/s44286-023-00018-w","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nature Chemical Engineering; Journal Volume: 1; Journal Issue: 2","description":"Manipulating the selectivity-determining step in post-C–C coupling is crucial for enhancing C<sub>2<\/sub> product specificity during electrocatalytic CO<sub>2<\/sub> reduction, complementing efforts to boost rate-determining step kinetics. Here we highlight the role of single-site noble metal dopants on Cu surfaces in influencing C–O bond dissociation in an oxygen-bound selectivity-determining intermediate, steering post-C–C coupling toward ethylene versus ethanol. Integrating theoretical and experimental analyses, we demonstrate that the oxygen binding strength of the Cu surface controls the favorability of C–O bond scission, thus tuning the selectivity ratio of ethylene-to-ethanol. The Rh-doped Cu catalyst with optimal oxygen binding energy achieves a Faradaic efficiency toward ethylene of 61.2% and an ethylene-to-ethanol Faradaic efficiency ratio of 4.51 at –0.66 V versus RHE (reversible hydrogen electrode). Integrating control of both rate-determining and selectivity-determining steps further raises ethylene Faradaic efficiency to 68.8% at 1.47 A cm<sup>-2<\/sup> in a tandem electrode. Our insights guide the rational design of Cu-based catalysts for selective CO<sub>2<\/sub> electroreduction to a single C<sub>2<\/sub> product.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Springer","journal_name":"Nature Chemical Engineering","journal_issue":"2","journal_volume":"1","format":"Medium: ED; Size: 159-169","authors":["Li, Zhengyuan [University of Cincinnati, OH (United States)] (ORCID:0000000215254981)","Wang, Peng [Rice University, Houston, TX (United States)]","Lyu, Xiang [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Kondapalli, Vamsi Reddy [University of Cincinnati, OH (United States)] (ORCID:0000000205397102)","Xiang, Shuting [Stony Brook University, NY (United States)] (ORCID:0000000194233347)","Jimenez, Juan D. [Brookhaven National Laboratory (BNL), Upton, NY (United States)]","Ma, Lu [Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source (NSLS)]","Ito, Takeshi [University of Cincinnati, OH (United States)]","Zhang, Tianyu [University of Cincinnati, OH (United States)]","Raj, Jithu [University of Cincinnati, OH (United States)]","Fang, Yanbo [University of Cincinnati, OH (United States)]","Bai, Yaocai [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000337002520)","Li, Jianlin [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000287109847)","Serov, Alexey [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000331824726)","Shanov, Vesselin [University of Cincinnati, OH (United States)]","Frenkel, Anatoly I. [Stony Brook University, NY (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)] (ORCID:0000000254511207)","Senanayake, Sanjaya D. [Brookhaven National Laboratory (BNL), Upton, NY (United States)]","Yang, Shize [Arizona State University, Tempe, AZ (United States)] (ORCID:000000020421006X)","Senftle, Thomas P. [Rice University, Houston, TX (United States)] (ORCID:0000000258895009)","Wu, Jingjie [University of Cincinnati, OH (United States)] (ORCID:0000000166170895)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","carbon capture and storage","chemical engineering","electrocatalysis"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; SC0012704; SC0012335; EE0010836; CBET-2033343; CBET-2143941; ECCS-1542160; CHE 2102299","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2948-1198","other_identifiers":["Journal ID: ISSN 2948-1198"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301665"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301665"}]}, {"osti_id":"2007549","title":"Transformations in crystals of DNA-functionalized nanoparticles by electrolytes","doi":"10.1039/D3FD00109A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Faraday Discussions Journal Volume: 249","description":"<p>Colloidal crystals of DNA-coated nanoparticles transition from face-centered cubic to body-centered cubic structures with increasing salinity; this transition is concurrent with salt-induced dehydration of the grafted DNA.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Faraday Discussions","journal_volume":"249","format":"Medium: X; Size: p. 408-423","authors":["John-Erik Reinertsen, Roger [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA] (ORCID:0000000328692961)","Jiménez-Ángeles, Felipe [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA] (ORCID:0000000194736892)","Kewalramani, Sumit [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA] (ORCID:0000000169200922)","Bedzyk, Michael [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA] (ORCID:0000000210264558)","Olvera de la Cruz, Monica [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA, Department of Physics, Northwestern University, Evanston, Illinois 60208, USA, Department of Chemistry, Northwestern University, Evanston, Illinois 60208, USA] (ORCID:0000000298023627)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1359-6640","other_identifiers":["Journal ID: ISSN 1359-6640; FDISE6"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2007549"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2007549"}]}, {"osti_id":"2290397","title":"Controlling Exciton/Exciton Recombination in 2-D Perovskite Using Exciton–Polariton Coupling","report_number":"NREL/JA-5900-87359","doi":"10.1021/acs.jpclett.3c03452","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry Letters Journal Volume: 15 Journal Issue: 6","description":"In this paper, we demonstrate that exciton/exciton annihilation in the 2D perovskite (PEA)2PbI4 (PEPI) - a major loss mechanism in solar cells and light-emitting diodes, can be controlled through coupling of excitons with cavity polaritons. We study the excited state dynamics using time-resolved transient absorption spectroscopy and show that the system can be tuned through a strong coupling regime by varying the cavity width through the PEPI layer thickness. Remarkably, strong coupling occurs even when the cavity quality factor remains poor, providing easy optical access. We demonstrate that the observed derivative-like transient absorption spectra can be modeled using a time-dependent Rabi splitting that occurs because of transient bleaching of the excitonic states. When PEPI is strongly coupled to the cavity, the exciton/exciton annihilation rate is suppressed by 1 order of magnitude. A model that relies on the partly photonic character of polaritons explains the results as a function of detuning.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry Letters","journal_issue":"6","journal_volume":"15","format":"Medium: X; Size: p. 1748-1754","authors":["Fei, Rao [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States, Materials Science and Engineering Program, University of Colorado, Boulder, Colorado 80301, United States] (ORCID:0000000240342967)","Hautzinger, Matthew P. [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States] (ORCID:0000000247643076)","Rose, Aaron H. [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States] (ORCID:0000000266038779)","Dong, Yifan [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States] (ORCID:0000000329123322)","Smalyukh, Ivan I. [Materials Science and Engineering Program, University of Colorado, Boulder, Colorado 80301, United States, Department of Physics, University of Colorado, Boulder, Colorado 80301, United States, International Institute for Sustainability with Knotted Chiral Meta Matter, Hiroshima University, Higashi Hiroshima, Hiroshima 730-0000, Japan, Renewable and Sustainable Energy Institute, National Renewable Energy Laboratory and University of Colorado, Boulder, Colorado 80301, United States] (ORCID:0000000334441966)","Beard, Matthew C. [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States, Renewable and Sustainable Energy Institute, National Renewable Energy Laboratory and University of Colorado, Boulder, Colorado 80301, United States] (ORCID:0000000227111355)","van de Lagemaat, Jao [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States, Materials Science and Engineering Program, University of Colorado, Boulder, Colorado 80301, United States, Renewable and Sustainable Energy Institute, National Renewable Energy Laboratory and University of Colorado, Boulder, Colorado 80301, United States] (ORCID:0000000158516163)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","14 SOLAR ENERGY","cavity","exciton","perovskite","photonics","polariton"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 1948-7185","other_identifiers":["Journal ID: ISSN 1948-7185"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290397"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290397"}]}, {"osti_id":"2317751","title":"Orbital degree of freedom in high entropy oxides","doi":"10.1103/physrevmaterials.8.024404","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Materials; Journal Volume: 8; Journal Issue: 2","description":"The spin, charge, and lattice degrees of freedom and their interplay in high entropy oxides were intensively investigated in recent years. However, how the orbital degree of freedom is affected by the extreme disorder in high entropy oxides has not been studied. In this work, using perovskite structured RVO<sub>3<\/sub> as a materials playground, we report how the disorder arising from mixing different rare earth ions at the rare earth site affects the orbital ordering of V<sup>3+<\/sup> t<sub>2g<\/sub>-electrons. Since each member of RVO<sub>3<\/sub> (R = rare earth and Y) crystallizes into the same orthorhombic Pbnm structure, the configurational entropy should not be critical for the stability of (R<sub>1,...,<\/sub>Rn)VO<sub>3<\/sub>. The spin and orbital ordering was studied by measuring magnetic properties and specific heat of single crystals. Rather than the number and type of rare earth ions, the average and variance of ionic radius are the key factors determining the spin and orbital order in (R<sub>1,...,<\/sub>Rn)VO<sub>3<\/sub>. When the size variance is small, the average ionic radius takes precedence in dictating spin and orbital order. Increasing size variance suppresses the G-type orbital order (G-OO) and C-type antiferromagnetic order (C-AF) but favors the C-OO/G-AF state and spin-orbital entanglement. In conclusion, these findings suggest that the extreme disorder introduced by mixing multiple rare earth ions in high entropy perovskites might be employed to preserve the orbital degree of freedom to near the magnetic order, which is necessary for the electronic driven orbital ordering in a Kugel-Khomskii compound.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review Materials","journal_issue":"2","journal_volume":"8","format":"Medium: ED; Size: Article No. 024404","authors":["Yan, Jiaqiang [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000166254706)","Kumar, Abinash [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Chi, Miaofang [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Brahlek, Matthew [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Ward, Thomas Z. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","McGuire, Michael A. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2475-9953","other_identifiers":["Journal ID: ISSN 2475-9953"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317751"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317751"}]}, {"osti_id":"2290379","title":"Atomic Structure and Dynamics of Unusual and Wide‐Gap Phase‐Change Chalcogenides: A GeTe\n <sub>2<\/sub>\n Case","doi":"10.1002/pssr.202300482","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Physica Status Solidi. Rapid Research Letters","description":"<p>\n Brain‐inspired computing, reconfigurable optical metamaterials, photonic tensor cores, and many other advanced applications require next‐generation phase‐change materials (PCMs) with better energy efficiency and a wider thermal and spectral range for reliable operations. Germanium ditelluride (GeTe\n <sub>2<\/sub>\n ), with higher thermal stability and a larger bandgap compared to current benchmark PCMs, appears promising for THz metasurfaces and the controlled crystallization of atomically thin 2D materials. Using high‐energy X‐Ray diffraction supported by first‐principles simulation, the atomic structure in semiconducting pulsed laser deposition films and metallic high‐temperature liquids is investigated. The results suggest that the structural and chemical metastability of GeTe\n <sub>2<\/sub>\n , leading to disproportionation into GeTe and Te, is related to high internal pressure during a semiconductor–metal transition, presumably occurring in the supercooled melt. Similar phenomena are expected for canonical GeS\n <sub>2<\/sub>\n and GeSe\n <sub>2<\/sub>\n under high temperatures and pressures.\n <\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Physica Status Solidi. Rapid Research Letters","format":"Medium: X","authors":["Usuki, Takeshi [Faculty of Science Yamagata University Yamagata 990‐8560 Japan]","Benmore, Chris J. [X‐ray Science Division Advanced Photon Source Argonne National Laboratory Argonne IL 60439 USA]","Tverjanovich, Andrey [Institute of Chemistry St. Petersburg State University 198504 St. Petersburg Russia]","Bereznev, Sergei [Department of Materials and Environmental Technology Tallinn University of Technology 19086 Tallinn Estonia, Virumaa College Tallinn University of Technology 30322 Kohtla‐Järve Estonia]","Khomenko, Maxim [NRC “Kurchatov Institute” 140700 Shatura Moscow Region Russia, Laboratory of Biophotonics Tomsk State University 634050 Tomsk Russia]","Sokolov, Anton [Laboratoire de Physico‐Chimie de l’Atmosphère Université du Littoral Côte d’Opale 59140 Dunkerque France]","Fontanari, Daniele [Laboratoire de Physico‐Chimie de l’Atmosphère Université du Littoral Côte d’Opale 59140 Dunkerque France]","Ohara, Koji [Faculty of Materials for Energy Shimane University 1060, Nishi‐Kawatsu‐Cho Matsue Shimane 690‐8504 Japan]","Bokova, Maria [Laboratoire de Physico‐Chimie de l’Atmosphère Université du Littoral Côte d’Opale 59140 Dunkerque France]","Kassem, Mohammad [Laboratoire de Physico‐Chimie de l’Atmosphère Université du Littoral Côte d’Opale 59140 Dunkerque France]","Bychkov, Eugene [Laboratoire de Physico‐Chimie de l’Atmosphère Université du Littoral Côte d’Opale 59140 Dunkerque France] (ORCID:0000000232921205)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1862-6254","other_identifiers":["Journal ID: ISSN 1862-6254; 2300482"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290379"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290379"}]}, {"osti_id":"2287719","title":"Monitoring the Evolution of Relative Product Populations at Early Times during a Photochemical Reaction","doi":"10.1021/jacs.3c13046","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society Journal Volume: 146 Journal Issue: 6","description":"Identifying multiple rival reaction products and transient species formed during ultrafast photochemical reactions and determining their time-evolving relative populations are key steps toward understanding and predicting photochemical outcomes. Yet, most contemporary ultrafast studies struggle with clearly identifying and quantifying competing molecular structures/species among the emerging reaction products. Here, we show that mega-electronvolt ultrafast electron diffraction in combination with ab initio molecular dynamics calculations offer a powerful route to determining time-resolved populations of the various isomeric products formed after UV (266 nm) excitation of the five-membered heterocyclic molecule 2(5H)-thiophenone. This strategy provides experimental validation of the predicted high (~50%) yield of an episulfide isomer containing a strained three-membered ring within ~1 ps of photoexcitation and highlights the rapidity of interconversion between the rival highly vibrationally excited photoproducts in their ground electronic state.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of the American Chemical Society","journal_issue":"6","journal_volume":"146","format":"Medium: X; Size: p. 4134-4143","authors":["Figueira Nunes, Joao Pedro [University of Nebraska−Lincoln, Lincoln, Nebraska 68588, United States]","Ibele, Lea Maria [CNRS, Institut de Chimie Physique UMR8000, Université Paris-Saclay, Orsay, 9140, France] (ORCID:0000000214343843)","Pathak, Shashank [J.R. Macdonald Laboratory, Physics Department, Kansas State University, Manhattan, Kansas 66506, United States] (ORCID:0000000279160191)","Attar, Andrew R. [SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States]","Bhattacharyya, Surjendu [J.R. Macdonald Laboratory, Physics Department, Kansas State University, Manhattan, Kansas 66506, United States] (ORCID:0000000171078006)","Boll, Rebecca [European XFEL, Schenefeld, 22869, Germany] (ORCID:0000000162864064)","Borne, Kurtis [J.R. Macdonald Laboratory, Physics Department, Kansas State University, Manhattan, Kansas 66506, United States]","Centurion, Martin [University of Nebraska−Lincoln, Lincoln, Nebraska 68588, United States]","Erk, Benjamin [Deutsches Elektronen Synchrotron DESY, Hamburg, 22607, Germany] (ORCID:0000000184133588)","Lin, Ming-Fu [SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States] (ORCID:0000000180862484)","Forbes, Ruaridh J. G. [SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States] (ORCID:0000000320975991)","Goff, Nathan [Brown University, Providence, Rhode Island 02912, United States]","Hansen, Christopher S. [School of Chemistry, University of New South Wales, Sydney, NSW 2052, Australia] (ORCID:0000000289540825)","Hoffmann, Matthias [SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States]","Holland, David M. P. [Daresbury Laboratory, Warrington, WA4 4AD, U.K.]","Ingle, Rebecca A. [Department of Chemistry, University College London, London, WC1H 0AJ, U.K.] (ORCID:0000000205663407)","Luo, Duan [SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States] (ORCID:0000000159269870)","Muvva, Sri Bhavya [University of Nebraska−Lincoln, Lincoln, Nebraska 68588, United States]","Reid, Alexander H. [SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States] (ORCID:000000027587295X)","Rouzée, Arnaud [Max Born Institute, Berlin, 12489, Germany]","Rudenko, Artem [J.R. Macdonald Laboratory, Physics Department, Kansas State University, Manhattan, Kansas 66506, United States]","Saha, Sajib Kumar [University of Nebraska−Lincoln, Lincoln, Nebraska 68588, United States]","Shen, Xiaozhe [SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States]","Venkatachalam, Anbu Selvam [J.R. Macdonald Laboratory, Physics Department, Kansas State University, Manhattan, Kansas 66506, United States] (ORCID:0000000252066955)","Wang, Xijie [SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States]","Ware, Matt R. [SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States]","Weathersby, Stephen P. [SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States]","Wilkin, Kyle [University of Nebraska−Lincoln, Lincoln, Nebraska 68588, United States]","Wolf, Thomas J. A. [SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States, Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States] (ORCID:0000000206411279)","Xiong, Yanwei [University of Nebraska−Lincoln, Lincoln, Nebraska 68588, United States] (ORCID:0000000294124447)","Yang, Jie [SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States]","Ashfold, Michael N. R. [School of Chemistry, University of Bristol, Bristol, BS8 1TS, U.K.] (ORCID:0000000157627048)","Rolles, Daniel [J.R. Macdonald Laboratory, Physics Department, Kansas State University, Manhattan, Kansas 66506, United States] (ORCID:0000000239653477)","Curchod, Basile F. E. [School of Chemistry, University of Bristol, Bristol, BS8 1TS, U.K.] (ORCID:000000021705473X)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Computational chemistry","Diffraction","Molecular structure","Molecules","Photoexcitation"],"article_type":"Published Article","doe_contract_number":"FG02-86ER13491; SC0017995; SC0019451; SC0020276; AC02-76SF00515; PHYS1753324; EP/L005913/1; EP/V026690/1; EP/X026973/1; EP/R513039/1; ANR-20-CE29-0014; DE200100549; 803718","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"},{"name":"National Science Foundation (NSF)"},{"name":"Engineering and Physical Sciences Research Council"},{"name":"ANR Q-DeLight"},{"name":"Australian Research Council"},{"name":"European Union Horizon"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)","National Science Foundation (NSF)","Engineering and Physical Sciences Research Council","ANR Q-DeLight","Australian Research Council","European Union Horizon"],"orgs_research":[{"name":"Kansas State Univ., Manhattan, KS (United States)"}],"research_orgs":["Kansas State Univ., Manhattan, KS (United States)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287719"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287719"}]}, {"osti_id":"2287707","title":"Reactant-Induced Structural Evolution of Pt Catalysts Confined in Zeolite","doi":"10.1021/jacsau.3c00732","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: JACS Au Journal Volume: 4 Journal Issue: 2","description":"Reactant-induced structural evolutions of heterogeneous metal catalysts are frequently observed in numerous catalytic systems, which can be associated with the formation or deactivation of active sites. In this work, we will show the structural transformation of subnanometer Pt clusters in pure-silica MFI zeolite structure in the presence of CO, O<sub>2<\/sub>, and/or H<sub>2<\/sub>O and the catalytic consequences of the Pt-zeolite materials derived from various treatment conditions. By applying the appropriate pretreatment under a reactant atmosphere, we can precisely modulate the size distribution of Pt species spanning from single Pt atoms to small Pt nanoparticles (1–5 nm) in the zeolite matrix, resulting in the desirably active and stable Pt species for CO oxidation. We also show the incorporation of Fe into the zeolite framework greatly promotes the stability of Pt species against undesired sintering under harsh conditions (up to 650 °C in the presence of CO, O<sub>2<\/sub>, and moisture).","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"American Chemical Society","journal_name":"JACS Au","journal_issue":"2","journal_volume":"4","format":"Medium: X; Size: p. 666-679","authors":["Li, Xiaoyu [Engineering Research Center of Advanced Rare Earth Materials, Department of Chemistry, Tsinghua University, Beijing 100084, China]","Cheng, Jinling [Engineering Research Center of Advanced Rare Earth Materials, Department of Chemistry, Tsinghua University, Beijing 100084, China]","Hou, Huaming [National Energy Center for Coal to Clean Fuels, Synfuels China Co., Ltd., Huairou District, Beijing 101407, China]","Meira, Debora M. [CLS@APS sector 20, Advanced Photon Source, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, United States, Canadian Light Source Inc., 44 Innovation Boulevard, Saskatoon, Saskatchewan S7N 2 V3, Canada] (ORCID:0000000275292736)","Liu, Lichen [Engineering Research Center of Advanced Rare Earth Materials, Department of Chemistry, Tsinghua University, Beijing 100084, China] (ORCID:0000000150670481)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","zeolite","platinum","CO oxidation","structural evolution","clusters"],"article_type":"Published Article","doe_contract_number":"AC02-06CH11357","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Tsinghua Univ., Beijing (China)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["Tsinghua Univ., Beijing (China)","Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 2691-3704","other_identifiers":["Journal ID: ISSN 2691-3704"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287707"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287707"}]}, {"osti_id":"2301639","title":"Micro–macro finite element modeling method for rub response in abradable coating materials","doi":"10.1007/s10853-023-09327-0","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Materials Science","description":"Gas turbine engines experience “rub” when the rotating blades come in contact with a static abradable coating. This results in extreme strain rates and dynamics inside a high-temperature/high-pressure environment. Current rub models are phenomenological and do not reflect the underlying microstructures, thus limiting their prediction accuracy. In this work, a microstructure-informed, reduced order modeling framework is introduced for simulating abradable coating “rub\" behavior. This framework comprises a microscale model constructed based on digitized abradable microstructure and explicitly simulates the mechanical behavior of each constituent phases and their interactions. After calibration and validation with experiment data, the calibrated microscale model is used to generate data across a vast range of applied strain rates and temperature with various load paths. Then, the virtually generated data are used to fit the macroscopic-reduced order model, which enables fast component scale rub simulation without compromising the integrity of the complex material behavior. In conclusion, the proposed effort will address the technical challenge of predicting abradable material behavior during rub through the application of multiscale modeling from microstructure to engines behavior, effectively reducing the development costs and time of new abradable material for better “rub” properties.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Springer","journal_name":"Journal of Materials Science","format":"Medium: ED; Size: 1-","authors":["Cheng, Jiahao [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Hu, Xiaohua [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000277355091)","Joost, William [Pratt & Whitney, East Hartford, CT (United States)]","Sun, Xin [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]"],"subjects":["36 MATERIALS SCIENCE","abradable coating material","microstructure","finite element modeling","reduced order mode"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Fossil Energy and Carbon Management (FECM)"}],"sponsor_orgs":["USDOE Office of Fossil Energy and Carbon Management (FECM)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0022-2461","other_identifiers":["Journal ID: ISSN 0022-2461"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301639"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301639"}]}, {"osti_id":"2290247","title":"Catalytic resonance theory: Circumfluence of programmable catalytic loops","doi":"10.1016/j.jcat.2024.115343","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Catalysis","description":"Chemical reactions on heterogeneous catalyst surfaces exhibit complex networks of elementary reactions with multiple pathways to fluid phase products, sometimes leading to surface reaction loops consisting of a closed cycle reaction pathway. While conventional catalysts at steady state exhibit zero net flux in either direction around a catalytic loop, the loop turnover frequency of three-species surface loops was evaluated in this work via microkinetic modeling to assess the reaction loop behavior resulting from a catalytic surface oscillating between two or more surface energy states. For dynamic heterogeneous catalysts undergoing applied oscillations of surface energy (i.e., programs), surface reaction loops of three species were shown to exhibit non-zero net flow of molecules around the loop, with the extent of loop turnover frequency varying with the applied frequency and amplitude of a sinusoidal or square wave oscillation. Alternatively, some dynamic surface reactions exhibited oscillations only between two surface species or resulted in surfaces covered by a single species at all times. More complex behavior was observed for dynamic surface programs of three distinct electronic states, with the temporal order of applied states controlling the direction of flow of molecules within a three-molecule surface loop. As a result, catalytic loops have the potential to limit overall catalytic reaction rates and use energy in programmable catalysts, while some applications could purposely impose non-zero loop turnover frequency for improved surface reaction control.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Elsevier","journal_name":"Journal of Catalysis","format":"Medium: ED; Size: Article No. 115343","authors":["Murphy, Madeline A. [University of Minnesota, Minneapolis, MN (United States)] (ORCID:0009000157929318)","Gathmann, Sallye R. [University of Minnesota, Minneapolis, MN (United States)] (ORCID:0000000210016650)","Bartel, Christopher J. [University of Minnesota, Minneapolis, MN (United States)]","Abdelrahman, Omar A. [University of Minnesota, Minneapolis, MN (United States); University Massachusetts, Amherst, MA (United States)] (ORCID:000000016023857X)","Dauenhauer, Paul J. [University of Minnesota, Minneapolis, MN (United States)] (ORCID:0000000158101953)"],"subjects":["30 DIRECT ENERGY CONVERSION","37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Energy","Catalysis","Dynamics","Loop","Programmable"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0023464","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Univ. of Minnesota, Minneapolis, MN (United States)"}],"research_orgs":["Univ. of Minnesota, Minneapolis, MN (United States)"],"journal_issn":"ISSN 0021-9517","other_identifiers":["Journal ID: ISSN 0021-9517"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290247"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290247"}]}, {"osti_id":"2287695","title":"Arbitrary electro-optic bandwidth and frequency control in lithium niobate optical resonators","doi":"10.1364/OE.502142","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optics Express Journal Volume: 32 Journal Issue: 4","description":"<p>In situ tunable photonic filters and memories are important for emerging quantum and classical optics technologies. However, most photonic devices have fixed resonances and bandwidths determined at the time of fabrication. Here we present an in situ tunable optical resonator on thin-film lithium niobate. By leveraging the linear electro-optic effect, we demonstrate widely tunable control over resonator frequency and bandwidth on two different devices. We observe up to ∼50 × tuning in the bandwidth over ∼50 V with linear frequency control of ∼230 MHz/V. We also develop a closed-form model predicting the tuning behavior of the device. This paves the way for rapid phase and amplitude control over light transmitted through our device.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Optical Society of America","journal_name":"Optics Express","journal_issue":"4","journal_volume":"32","format":"Medium: X; Size: Article No. 6168","authors":["Herrmann, Jason F. (ORCID:0000000245835496)","Dean, Devin J.","Sarabalis, Christopher J. (ORCID:0000000335707391)","Ansari, Vahid (ORCID:0000000240200627)","Multani, Kevin","Wollack, E. Alex","McKenna, Timothy P. (ORCID:0000000181327336)","Witmer, Jeremy D.","Safavi-Naeini, Amir H. (ORCID:0000000161761274)"],"article_type":"Published Article","doe_contract_number":"AC02-76SF00515; Q-NEXT NQI Center","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1094-4087","other_identifiers":["Journal ID: ISSN 1094-4087; OPEXFF"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287695"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287695"}]}, {"osti_id":"2305804","title":"Impact of breech geometry and propellant flow on the release of large pellets for the ITER disruption mitigation system","doi":"10.1088/1741-4326/ad2424","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nuclear Fusion; Journal Volume: 64; Journal Issue: 3","description":"Studies have been performed on the release mechanism for large pellets using high pressure gas in a shattered pellet injector. Typically, pellets are dislodged from the cryogenic surface and accelerated down a barrel using high pressure gas delivered by a fast-acting propellant valve. The pellets impact an angled surface which shatters the pellet into many small fragments before entering the plasma. This technique was initially demonstrated on DIII-D (Commaux et al 2016 Nucl. Fusion 56 046007) and is now deployed on JET, KSTAR, ASDEX-Upgrade, and other tokamaks around the world in support of ITER\'s disruption mitigation system design and physics basis. The large hydrogen, 28.5 mm diameter, 2 length-to-diameter ratio, pellets foreseen for ITER SPI operation have low material strength and low heat of sublimation, which cause the pellets to be fragile and highly reactive to the impact of warm propellant gas. Due to the size of the pellets, significantly more propellant gas is required to dislodge and accelerate them. This creates a potentially significant propellant gas removal issue as 2–6 bar-L of gas is expected to be required for release and speed control. The research presented in this paper is an in-depth exploration of the parameters that are keys to reliable pellet release and speed control. Computational fluid dynamics (CFD) modeling of propellant flows through various breech designs was conducted to determine the force generated on the back surface of a pellet. These simulations assumed the use of the ORNL designed flyer plate valve. CFD modeling combined with experimental measurements provide adequate insight to determine a path to an optimal valve and breech design for ITER SPI pellet release and speed control while minimizing propellant gas usage.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"IOP Science","journal_name":"Nuclear Fusion","journal_issue":"3","journal_volume":"64","format":"Medium: ED; Size: Article No. 036021","authors":["Gebhart III, Trey E. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000182596095)","Baylor, Larry R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000203257771)","Dibon, Mathias [ITER Organization, St. Paul Lez Durance (France)]","Ericson, M. Nance [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000266284865)","Felske, Eliot J. [Columbia Univ., New York, NY (United States)] (ORCID:000000034001096X)","Frank, Shane S. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000214017298)","Gardner, Walter L. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Ghiozzi, Adriana G. [General Atomics, San Diego, CA (United States)] (ORCID:0000000151239407)","Jachmich, Stefan [ITER Organization, St. Paul Lez Durance (France)]","Kruezi, Uron [ITER Organization, St. Paul Lez Durance (France)]","Lehnen, Michael [ITER Organization, St. Paul Lez Durance (France)] (ORCID:0000000160438803)","Velez, Danah A. [Univ. of Wisconsin, Madison, WI (United States)]"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","tokamak","disruption mitigation","shattered pellet injection"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"}],"sponsor_orgs":["USDOE Office of Science (SC)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0029-5515","other_identifiers":["Journal ID: ISSN 0029-5515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305804"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2305804"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305804"}]}, {"osti_id":"2301653","title":"A new paradigm in electron microscopy: Automated microstructure analysis utilizing a dynamic segmentation convolutional neutral network","doi":"10.1016/j.mtadv.2024.100468","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Materials Today Advances; Journal Volume: 21; Journal Issue: 1","description":"Over the past half century, the transmission electron microscope enabled insight into the fundamental arrangements and structures of materials. State-of-the-art electron microscopes can acquire large image datasets across multiple imaging modalities. However, the manual annotation process for feature or defect quantification may not be feasible with the modern microscope. Convolutional neural networks emerged to characterize individual microstructural features from an image in a cost-effective, consistent manner. However, many of these neural network approaches rely on thousands to hundreds of thousands of manual annotations of each feature type across hundreds of images to train the network for adequate performance. This work focused on the development and application of a pixel-wise defect detection machine-learning dynamic segmentation convolutional neural network with associated automated acquisition and postprocessing to identify microstructural features rapidly and quantitatively from a small initial dataset incorporating multiple imaging modes. The approach was demonstrated for characterization of superalloy 718 from both single image acquisition on multiple detectors to in-situ evolution captured with a single detector on a standard desktop computer to demonstrate the low barrier to entry required for widespread adoption. Pixel-by-pixel class identification was excellent with strong identification of chemically distinct phases, structurally distinct phases, and defect structures, thus demonstrating the new paradigm of machine learning-assisted characterization.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Elsevier","journal_name":"Materials Today Advances","journal_issue":"1","journal_volume":"21","format":"Medium: ED; Size: 100468-","authors":["Taller, Stephen [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000273234786)","Scime, Luke [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000020506253X)","Austin, Ty [Univ. of Tennessee, Knoxville, TN (United States)] (ORCID:0000000240243803)"],"subjects":["36 MATERIALS SCIENCE","TEM","Microstructure","Machine learning","Automation"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; AC07- 051D14517","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"USDOE Office of Nuclear Energy (NE)"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program","USDOE Office of Nuclear Energy (NE)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2590-0498","other_identifiers":["Journal ID: ISSN 2590-0498"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301653"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2301653"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301653"}]}, {"osti_id":"2284017","title":"Quantitative gas-phase transmission electron microscopy: Where are we now and what comes next?","doi":"10.1557/s43577-023-00648-8","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: MRS Bulletin Journal Volume: 49 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Based on historical developments and the current state of the art in gas-phase transmission electron microscopy (GP-TEM), we provide a perspective covering exciting new technologies and methodologies of relevance for chemical and surface sciences. Considering thermal and photochemical reaction environments, we emphasize the benefit of implementing gas cells, quantitative TEM approaches using sensitive detection for structured electron illumination (in space and time) and data denoising, optical excitation, and data mining using autonomous machine learning techniques. These emerging advances open new ways to accelerate discoveries in chemical and surface sciences.<\/p>\n <p>\n <bold>Graphical abstract<\/bold>\n <\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Cambridge University Press (CUP)","journal_name":"MRS Bulletin","journal_issue":"2","journal_volume":"49","format":"Medium: X; Size: p. 174-183","authors":["Jinschek, Joerg R. (ORCID:0000000315740899)","Helveg, Stig (ORCID:0000000203288295)","Allard, Lawrence F. (ORCID:0000000245528277)","Dionne, Jennifer A. (ORCID:0000000152874357)","Zhu, Yuanyuan (ORCID:0000000252575645)","Crozier, Peter A. (ORCID:0000000218372481)"],"subjects":["36 MATERIALS SCIENCE"],"article_type":"Published Article","doe_contract_number":"SC0021984; AC05-00OR22725; 110114; DNRF146; CBET 2238213; OAC 1940263; 2104105; CBET 1604971; DMR 184084","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"},{"name":"Novo Nordisk Foundation"},{"name":"Danish National Research Foundation"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)","Novo Nordisk Foundation","Danish National Research Foundation","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0883-7694","other_identifiers":["Journal ID: ISSN 0883-7694; PII: 648"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284017"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284017"}]}, {"osti_id":"2281054","title":"Economics and global warming potential of a commercial-scale delignifying biorefinery based on co-solvent enhanced lignocellulosic fractionation to produce alcohols, sustainable aviation fuels, and co-products from biomass","report_number":"NREL/JA-5100-84214","doi":"10.1039/D3EE02532B","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Energy & Environmental Science Journal Volume: 17 Journal Issue: 3","description":"Harnessing the natural diversity of plant biomass for producing economically and environmentally sustainable liquid fuels and high-value co-products entails the strategic integration of different technologies, each finely tuned for a unique biomass intermediate, to realize greater synergies in a co-processing schema known as biorefining. Presented here is a techno-economic and life cycle analysis of a hybrid biorefinery strategy that integrates several leading biochemical and catalytic processes to maximize the utilization of lignocellulosic biomass and produce commercially relevant biofuels and bioproducts. High fidelity computer models were assembled to evaluate the impact of feedstock and co-product selection on overall economics and global warming potential of the biorefinery. Central to this biorefinery model is the application of mild co-solvent enhanced lignocellulosic fractionation (CELF) pretreatment as the first step to non-destructively fractionate biomass into clean hemicellulose sugars, cellulose, and lignin intermediates that are funneled to a suite of downstream conversion technologies to yield alcohols, esters, carboxylic acids, and hydrocarbons as co-products. A multiparametric analysis of different process modalities using deterministic evaluation of experimental data and sensitivity analyses reveal the advantages of selecting a feedstock with higher carbon content (poplar wood instead of corn stover), the benefits of selecting a fuel alcohol product with higher yield and titer (ethanol instead of isobutanol) and the outcomes of selecting lignin fate (valorization vs. combustion). The application of supercritical methanol and a copper porous metal oxide catalyst to convert lignin to cyclic hydrocarbons, a component of sustainable aviation fuel (SAF), presents mixed outcomes: while this operation further improves carbon recovery from biomass, its inclusion in the biorefinery leads to a carbon footprint penalty in view of the use of methanol for lignin depolymerization. Nevertheless, the CELF biorefinery model demonstrated a possibility of supplying SAF to the market at competitive prices – as low as $3.15 per GGE (gallon of gasoline equivalent) – as well as carboxylic acids and esters.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Energy & Environmental Science","journal_issue":"3","journal_volume":"17","format":"Medium: X; Size: p. 1202-1215","authors":["Klein, Bruno Colling [Catalytic Carbon Transformation & Scale-up Center, National Renewable Energy Laboratory, Golden, CO 80401, USA, Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA] (ORCID:000000033438253X)","Scheidemantle, Brent [Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA, Department of Chemical and Environmental Engineering, Bourns College of Engineering, University of California, Riverside, 900 University Ave, Riverside, CA 92521, USA, Center for Environmental Research and Technology, Bourns College of Engineering, University of California, Riverside, 1084 Columbia Avenue, Riverside, CA 92507, USA]","Hanes, Rebecca J. [Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA, Strategic Energy Analysis Center, National Renewable Energy Laboratory, Golden, CO 80401, USA] (ORCID:0000000215585887)","Bartling, Andrew W. [Catalytic Carbon Transformation & Scale-up Center, National Renewable Energy Laboratory, Golden, CO 80401, USA, Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA]","Grundl, Nicholas J. [Catalytic Carbon Transformation & Scale-up Center, National Renewable Energy Laboratory, Golden, CO 80401, USA, Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA]","Clark, Robin J. [Catalytic Carbon Transformation & Scale-up Center, National Renewable Energy Laboratory, Golden, CO 80401, USA, Environmental Sciences Division, Oak Ridge National Laboratory (ORNL), 1 Bethel Valley Road, Oak Ridge, Tennessee 37830, USA]","Biddy, Mary J. [Catalytic Carbon Transformation & Scale-up Center, National Renewable Energy Laboratory, Golden, CO 80401, USA, Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA]","Tao, Ling [Catalytic Carbon Transformation & Scale-up Center, National Renewable Energy Laboratory, Golden, CO 80401, USA, Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA] (ORCID:0000000310631984)","Trinh, Cong T. [Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA, Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, TN, USA]","Guss, Adam M. [Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA, Biosciences Division, Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA]","Wyman, Charles E. [Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA, Department of Chemical and Environmental Engineering, Bourns College of Engineering, University of California, Riverside, 900 University Ave, Riverside, CA 92521, USA, Center for Environmental Research and Technology, Bourns College of Engineering, University of California, Riverside, 1084 Columbia Avenue, Riverside, CA 92507, USA] (ORCID:0000000279852841)","Ragauskas, Arthur J. [Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA, Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, TN, USA, Department of Forestry, Wildlife, and Fisheries, Center for Renewable Carbon, The University of Tennessee Institute of Agriculture, Knoxville, TN 37996, USA] (ORCID:000000023536554X)","Webb, Erin G. [Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA, Environmental Sciences Division, Oak Ridge National Laboratory (ORNL), 1 Bethel Valley Road, Oak Ridge, Tennessee 37830, USA]","Davison, Brian H. [Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA, Biosciences Division, Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA] (ORCID:0000000274083609)","Cai, Charles M. [Center for Bioenergy Innovation (CBI), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN 37831, USA, Department of Chemical and Environmental Engineering, Bourns College of Engineering, University of California, Riverside, 900 University Ave, Riverside, CA 92521, USA, Center for Environmental Research and Technology, Bourns College of Engineering, University of California, Riverside, 1084 Columbia Avenue, Riverside, CA 92507, USA] (ORCID:0000000250470815)"],"subjects":["09 BIOMASS FUELS","29 ENERGY PLANNING, POLICY, AND ECONOMY","biomass","biorefinery","CELF","LCA","process simulation","TEA"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office","USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 1754-5692","other_identifiers":["Journal ID: ISSN 1754-5692; EESNBY"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281054"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281054"}]}, {"osti_id":"2281278","title":"Understanding the fast kinetics and mechanism of sodium storage in antimony using\n <i>ab initio<\/i>\n grand canonical Monte Carlo simulation and\n <i>operando<\/i>\n X-ray scattering","doi":"10.1039/D3TA06832C","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 6","description":"<p>\n Using ai-GCMC simulations,\n <italic>operando<\/italic>\n WAXS, and kinetics analysis, we found that the high-rate performance of Sb as an alloy anode in Na-ion batteries is due to the presence of an amorphous intermediate phase formed during sodiation and desodiation.\n <\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"6","journal_volume":"12","format":"Medium: X; Size: p. 3671-3681","authors":["Li, Manni [Department of Materials Science & Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA, Automoive Engineering Research Institute, Jiangsu University, Zhenjiang 212013, China]","Qiu, Tian [Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, USA, Vagelos Institute for Energy Science and Technology (VIEST), Philadelphia, Pennsylvania 19104, USA] (ORCID:000000018510894X)","Welborn, Samuel S. [Department of Materials Science & Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA, Vagelos Institute for Energy Science and Technology (VIEST), Philadelphia, Pennsylvania 19104, USA]","Foucher, Alexandre C. [Department of Materials Science & Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA]","Fu, Jintao [Department of Materials Science & Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA]","Lesel, Benjamin K. [NanoDian, Los Angeles, California 90095, USA]","Wang, Zeyu [Department of Materials Science & Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA, School of Materials Science & Engineering, Jiangsu University, Zhenjiang 212013, China] (ORCID:0000000323826588)","Wang, Lin [Department of Materials Science & Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA] (ORCID:0000000304641748)","Stach, Eric A. [Department of Materials Science & Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA, Vagelos Institute for Energy Science and Technology (VIEST), Philadelphia, Pennsylvania 19104, USA] (ORCID:0000000233662153)","Rappe, Andrew M. [Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, USA, Vagelos Institute for Energy Science and Technology (VIEST), Philadelphia, Pennsylvania 19104, USA] (ORCID:0000000346206496)","Detsi, Eric [Department of Materials Science & Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA, Vagelos Institute for Energy Science and Technology (VIEST), Philadelphia, Pennsylvania 19104, USA] (ORCID:0000000240097260)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281278"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281278"}]}, {"osti_id":"2278892","title":"A shift between mineral and nonmineral sources of iron and sulfur causes proteome-wide changes in\n <i>Methanosarcina barkeri<\/i>","doi":"10.1128/spectrum.00418-23","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Microbiology Spectrum Journal Volume: 12 Journal Issue: 2","description":"Iron (Fe) and sulfur (S) are required elements for life, and changes in their availability can limit the ecological distribution and function of microorganisms. In anoxic environments, soluble Fe typically exists as ferrous iron [Fe(II)] and S as sulfide (HS<sup>–<\/sup>). These species exhibit a strong affinity that ultimately drives the formation of sedimentary pyrite (FeS<sub>2<\/sub>). Recently, paradigm-shifting studies indicate that Fe and S in FeS<sub>2<\/sub> can be made bioavailable by methanogens through a reductive dissolution process. However, the impact of the utilization of FeS<sub>2<\/sub>, as opposed to canonical Fe and S sources, on the phenotype of cells is not fully understood. Here, shotgun proteomics was utilized to measure changes in the phenotype of Methanosarcina barkeri MS grown with FeS<sub>2<\/sub>, Fe(II)/HS<sup>–<\/sup>, or Fe(II)/cysteine. Shotgun proteomics tracked 1,019 proteins overall, with 307 observed to change between growth conditions. Functional characterization and pathway analyses revealed these changes to be systemic and largely tangential to Fe/S metabolism. As a final step, the proteomics data were viewed with respect to previously collected transcriptomics data to deepen the analysis. Presented here is evidence that M. barkeri adopts distinct phenotypes to exploit specific sources of Fe and S in its environment. This is supported by observed protein abundance changes across broad categories of cellular biology. DNA adjacent metabolism, central carbon metabolism methanogenesis, metal trafficking, quorum sensing, and porphyrin biosynthesis pathways are all features in the phenotypic differentiation. Differences in trace metal availability attributed to complexation with HS<sup>–<\/sup>, either as a component of the growth medium [Fe(II)/HS<sup>–<\/sup>] or generated through reduction of FeS<sub>2<\/sub>, were likely a major factor underpinning these phenotypic differences.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"American Society for Microbiology","journal_name":"Microbiology Spectrum","journal_issue":"2","journal_volume":"12","format":"Medium: X","authors":["Fausset, Hunter [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA] (ORCID:0009000293603347)","Spietz, Rachel L. [Department of Microbiology and Cell Biology, Montana State University, Bozeman, Montana, USA] (ORCID:0000000152770734)","Cox, Savannah [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA]","Cooper, Gwendolyn [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA]","Spurzem, Scott [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA]","Tokmina-Lukaszewska, Monika [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA]","DuBois, Jennifer [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA] (ORCID:0000000155933391)","Broderick, Joan B. [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA] (ORCID:0000000170579124)","Shepard, Eric M. [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA]","Boyd, Eric S. [Department of Microbiology and Cell Biology, Montana State University, Bozeman, Montana, USA] (ORCID:0000000344365856)","Bothner, Brian [Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, USA] (ORCID:0000000312959609)","Re, ed., Angela"],"subjects":["proteomics","shotgun proteomics","methanogens","mineral","variable phenotypes","iron sulfur","iron reduction","omics"],"article_type":"Published Article","doe_contract_number":"DESC0020246; SC0020246","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"],"orgs_research":[{"name":"Montana State Univ., Bozeman, MT (United States)"}],"research_orgs":["Montana State Univ., Bozeman, MT (United States)"],"journal_issn":"ISSN 2165-0497","other_identifiers":["Journal ID: ISSN 2165-0497; e00418-23"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2278892"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2278892"}]}, {"osti_id":"2301626","title":"Composition dependence of bulk properties in the Co-intercalated transition metal dichalcogenide $\\mathrm{Co_{1/3}TaS_2}$","doi":"10.1103/physrevb.109.l060403","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 6","description":"Spontaneous Hall conductivity has recently been reported in the triangular lattice antiferromagnet Co<sub>1/3<\/sub>TaS<sub>2<\/sub> under a zero magnetic field. This phenomenon originates from the distinctive noncoplanar triple-Q magnetic ground state, possessing uniform real-space Berry curvature characterized by scalar spin chirality. We investigated the physical properties of Co<sub>1/3<\/sub>TaS<sub>2<\/sub> by judiciously controlling the composition, revealing a drastic change in its bulk properties, even by slight variations in cobalt composition, despite the same crystal structure. For 0.299≤x≤0.325, Co<sub>x<\/sub>TaS<sub>2<\/sub> keeps all the characteristics of the ground state consistent with the previous studies—two antiferromagnetic phase transitions at T<sub>N1<\/sub> and T<sub>N2<\/sub> (<T<sub>N1<\/sub>), a large spontaneous Hall conductivity [σ<sub>xy<\/sub>(H=0)], and a weak ferromagnetic moment along the c axis. However, samples with x≥0.330 exhibit distinct bulk properties, including the absence of both σ<sub>xy<\/sub>(H=0) and the weak ferromagnetic moment. Our neutron diffraction data reveal that Co<sub>x<\/sub>TaS<sub>2<\/sub> with x≥0.330 develops coplanar helical magnetic order with q<sub>m1<\/sub>=(1/3, 0, 0). This is entirely different from what has been seen in x≤0.325, explaining the observed composition dependence.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"6","journal_volume":"109","format":"Medium: ED; Size: L060403-L060403","authors":["Park, Pyeongjae [Seoul National University (Korea, Republic of); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000252461779)","Cho, Woonghee [Seoul National University (Korea, Republic of)]","Kim, Chaebin [Seoul National University (Korea, Republic of)] (ORCID:0000000153927756)","An, Yeochan [Seoul National University (Korea, Republic of)] (ORCID:0000000292827130)","Avdeev, Maxim [Australian Nuclear Science and Technology Organization, New South Wales (Australia); University of Sydney, NSW (Australia)] (ORCID:0000000323665809)","Iida, Kazuki [Comprehensive Research Organization for Science and Society (CROSS), Tokai (Japan)] (ORCID:0000000199899965)","Kajimoto, Ryoichi [J-PARC Center, Tokai (Japan)] (ORCID:0000000348455947)","Park, Je-Geun [Seoul National University (Korea, Republic of)]"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY","frustrated magnetism","magnetic order","magnetism","antiferromagnets","chiral magnets","noncolinear magnets","single crystal materials","crystal growth","neutron diffraction"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301626"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301626"}]}, {"osti_id":"2290423","title":"Optimal Realization of Yang–Baxter Gate on Quantum Computers","doi":"10.1002/qute.202300345","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Quantum Technologies","description":"<title>Abstract<\/title>\n <p>Quantum computers provide a promising method to study the dynamics of many‐body systems beyond classical simulation. On the other hand, the analytical methods developed and results obtained from the integrable systems provide deep insights on the many‐body system. Quantum simulation of the integrable system not only provides a valid benchmark for quantum computers but is also the first step in studying integrable‐breaking systems. The building block for the simulation of an integrable system is the Yang–Baxter gate. It is vital to know how to optimally realize the Yang–Baxter gates on quantum computers. Based on the geometric picture of the Yang–Baxter gates, the optimal realizations of two types of Yang–Baxter gates with a minimal number of controlled NOT (CNOT) or gates are presented. It is also shown how to systematically realize the Yang–Baxter gates via the pulse control. The different realizations on IBM quantum computers are tested and compared. It is found that the pulse realizations of the Yang–Baxter gates always have a higher gate fidelity compared to the optimal CNOT or realizations. On the basis of the above optimal realizations, the simulation of the Yang–Baxter equation on quantum computers is demonstrated. These results provide a guideline and standard for further experimental studies based on the Yang–Baxter gate.<\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Quantum Technologies","format":"Medium: X","authors":["Zhang, Kun [School of Physics Northwest University Xi\'an 710127 China, Shaanxi Key Laboratory for Theoretical Physics Frontiers Xi\'an 710127 China, Peng Huanwu Center for Fundamental Theory Xi\'an 710127 China] (ORCID:0000000348195495)","Yu, Kwangmin [Computational Science Initiative Brookhaven National Laboratory Upton NY 11973 USA]","Hao, Kun [Peng Huanwu Center for Fundamental Theory Xi\'an 710127 China, Institute of Modern Physics Northwest University Xi\'an 710127 China]","Korepin, Vladimir [C. N. Yang Institute for Theoretical Physics Stony Brook University NY 11794 USA]"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"DE‐AC05‐00OR22725; DE‐SC0012704","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2511-9044","other_identifiers":["Journal ID: ISSN 2511-9044; 2300345"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290423"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290423"}]}, {"osti_id":"2284016","title":"Photonic time crystals: from fundamental insights to novel applications: opinion","doi":"10.1364/OME.511801","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optical Materials Express Journal Volume: 14 Journal Issue: 3","description":"<p>In this opinion article, we briefly outline some historical highlights and the most recent developments in the novel and exciting field of photonic time-crystals and present the challenges, disruptive opportunities and potential impact on both the fundamental science of light and on photonic technologies.<\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-06T00:00:00Z","publisher":"Optical Society of America","journal_name":"Optical Materials Express","journal_issue":"3","journal_volume":"14","format":"Medium: X; Size: Article No. 592","authors":["Boltasseva, A. (ORCID:0000000189052605)","Shalaev, V. M.","Segev, M. (ORCID:0000000294212148)"],"article_type":"Published Article","doe_contract_number":"SC0017717","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2159-3930","other_identifiers":["Journal ID: ISSN 2159-3930"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284016"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284016"}]}, {"osti_id":"2284008","title":"Predictions of rhizosphere microbiome dynamics with a genome-informed and trait-based energy budget model","doi":"10.1038/s41564-023-01582-w","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Microbiology Journal Volume: 9 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Soil microbiomes are highly diverse, and to improve their representation in biogeochemical models, microbial genome data can be leveraged to infer key functional traits. By integrating genome-inferred traits into a theory-based hierarchical framework, emergent behaviour arising from interactions of individual traits can be predicted. Here we combine theory-driven predictions of substrate uptake kinetics with a genome-informed trait-based dynamic energy budget model to predict emergent life-history traits and trade-offs in soil bacteria. When applied to a plant microbiome system, the model accurately predicted distinct substrate-acquisition strategies that aligned with observations, uncovering resource-dependent trade-offs between microbial growth rate and efficiency. For instance, inherently slower-growing microorganisms, favoured by organic acid exudation at later plant growth stages, exhibited enhanced carbon use efficiency (yield) without sacrificing growth rate (power). This insight has implications for retaining plant root-derived carbon in soils and highlights the power of data-driven, trait-based approaches for improving microbial representation in biogeochemical models.<\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Microbiology","journal_issue":"2","journal_volume":"9","format":"Medium: X; Size: p. 421-433","authors":["Marschmann, Gianna L. (ORCID:0000000290652023)","Tang, Jinyun (ORCID:0000000247921259)","Zhalnina, Kateryna (ORCID:0000000218931888)","Karaoz, Ulas (ORCID:0000000282386757)","Cho, Heejung","Le, Beatrice","Pett-Ridge, Jennifer (ORCID:0000000244392398)","Brodie, Eoin L. (ORCID:0000000284538435)"],"article_type":"Published Article","doe_contract_number":"SCW1632; SCW1764","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2058-5276","other_identifiers":["Journal ID: ISSN 2058-5276; PII: 1582"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284008"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284008"}]}, {"osti_id":"2309788","title":"Application of the Multi-Species, Multi-Reaction Model to Coal-Derived Graphite for Lithium-Ion Batteries","doi":"10.1149/1945-7111/ad2061","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the Electrochemical Society Journal Volume: 171 Journal Issue: 2","description":"<p>Graphite is a critical material used as the negative electrode in lithium-ion batteries. Both natural and synthetic graphites are utilized, with the latter obtained from a range of carbon raw materials. In this paper, efforts to synthesize graphite from coal as a domestic feedstock for synthetic graphite are reported. Domestic coal-derived graphite could address national security and energy issues by standing up domestic supply chains for battery critical materials. The performance in lithium-ion coin cells of this coal derived graphite is compared to a commercial battery-grade graphite. For the first time, a multi-species, multi-reaction (MSMR) modeling technique is applied to synthetic graphite derived from coal. Key thermodynamic, transport, and kinetic parameters are obtained for the coal derived graphite and compared to the same parameters for commercial battery-grade graphite. Modeling of synthetic graphites will allow for virtual evaluation of these materials toward production of domestically sourced graphite.<\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"The Electrochemical Society","journal_name":"Journal of the Electrochemical Society","journal_issue":"2","journal_volume":"171","format":"Medium: X; Size: Article No. 023501","authors":["Paul, Abigail (ORCID:0000000172892069)","Magee, Regan","Wilczewski, Warren","Wichert, Nathan","Gula, Caleb","Olson, Rudolph","Shereda, Eric","Al-Majali, Yahya","Trembly, Jason (ORCID:0000000298512914)","Wolfe, Kody (ORCID:0000000264520107)","Staser, John A. (ORCID:0000000228328687)","Garrick, Taylor R. (ORCID:0000000322518129)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0013-4651","other_identifiers":["Journal ID: ISSN 0013-4651"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309788"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309788"}]}, {"osti_id":"2308873","title":"Substitution Models of Protein Evolution with Selection on Enzymatic Activity","doi":"10.1093/molbev/msae026","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Molecular Biology and Evolution Journal Volume: 41 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Substitution models of evolution are necessary for diverse evolutionary analyses including phylogenetic tree and ancestral sequence reconstructions. At the protein level, empirical substitution models are traditionally used due to their simplicity, but they ignore the variability of substitution patterns among protein sites. Next, in order to improve the realism of the modeling of protein evolution, a series of structurally constrained substitution models were presented, but still they usually ignore constraints on the protein activity. Here, we present a substitution model of protein evolution with selection on both protein structure and enzymatic activity, and that can be applied to phylogenetics. In particular, the model considers the binding affinity of the enzyme–substrate complex as well as structural constraints that include the flexibility of structural flaps, hydrogen bonds, amino acids backbone radius of gyration, and solvent-accessible surface area that are quantified through molecular dynamics simulations. We applied the model to the HIV-1 protease and evaluated it by phylogenetic likelihood in comparison with the best-fitting empirical substitution model and a structurally constrained substitution model that ignores the enzymatic activity. We found that accounting for selection on the protein activity improves the fitting of the modeled functional regions with the real observations, especially in data with high molecular identity, which recommends considering constraints on the protein activity in the development of substitution models of evolution.<\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Oxford University Press","journal_name":"Molecular Biology and Evolution","journal_issue":"2","journal_volume":"41","format":"Medium: X","authors":["Ferreiro, David","Khalil, Ruqaiya","Sousa, Sergio F.","Arenas, Miguel (ORCID:0000000205162717)","Pupko, ed., Tal"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE), Nuclear Fuel Cycle and Supply Chain"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE), Nuclear Fuel Cycle and Supply Chain"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0737-4038","other_identifiers":["Journal ID: ISSN 0737-4038; msae026"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308873"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308873"}]}, {"osti_id":"2293607","title":"Thermodynamic Analysis of Nano-Electrospray Induced Gas Jets","doi":"10.1016/j.ijmultiphaseflow.2024.104760","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: International Journal of Multiphase Flow","description":"Nano-electrospray (nES) produces a plume of charged liquid droplets which have drag interactions with the surrounding gas after they are emitted from a source capillary. The resulting induced gas flow has often been considered unimportant, but we have demonstrated that a gas microjet of significant velocity up to 10s of m/s can be produced. In this work we present a thermodynamic framework that enables analysis of gas jet generation from electrosprays and introduce the important metrics for such analysis, effectiveness (a measure of momentum transfer from the electrosprayed aerosol to gas) and efficiency (a measure of energy conversion from electrical energy generating the electrospray to gas kinetic energy). This analytical framework is applicable to any two-phase flows consisting of discrete conservative-force-driven particles which exchange momentum with an inert, otherwise quiescent fluid medium to yield a co-flowing two-phase jet. Here, we apply this framework to sprays of water from nano-electrospray emitters to demonstrate that increasing the applied electrical potential difference, increasing liquid mass flowrate, and decreasing droplet size all can increase electrospray induced gas jet strength, but only the latter two do so while also increasing the momentum transfer effectiveness and energy conversion efficiency.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Elsevier","journal_name":"International Journal of Multiphase Flow","format":"Medium: ED; Size: Article No. 104760","authors":["Chapman, Joel D. [Georgia Institute of Technology, Atlanta, GA (United States)]","Kottke, Peter A. [Georgia Institute of Technology, Atlanta, GA (United States)]","Fedorov, Andrei G. [Georgia Institute of Technology, Atlanta, GA (United States)]"],"subjects":["77 NANOSCIENCE AND NANOTECHNOLOGY","nanoelectrospray","gas-droplet interactions","electrohydrodynamics of charged jets","thermodynamics","gas jet","electrospray","CFD"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0010729","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Georgia Institute of Technology, Atlanta, GA (United States)"}],"research_orgs":["Georgia Institute of Technology, Atlanta, GA (United States)"],"journal_issn":"ISSN 0301-9322","other_identifiers":["Journal ID: ISSN 0301-9322"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293607"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293607"}]}, {"osti_id":"2308890","title":"Search for brown dwarfs in IC 1396 with\n <i>Subaru<\/i>\n HSC: interpreting the impact of environmental factors on substellar population","doi":"10.1093/mnras/stae369","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 528 Journal Issue: 4","description":"<title>ABSTRACT<\/title>\n <p>Young stellar clusters are predominantly the hub of star formation and hence, ideal to perform comprehensive studies over the least explored substellar regime. Various unanswered questions like the mass distribution in brown dwarf regime and the effect of diverse cluster environment on brown dwarf formation efficiency still plague the scientific community. The nearby young cluster, IC 1396 with its feedback-driven environment, is ideal to conduct such study. In this paper, we adopt a multiwavelength approach, using deep Subaru HSC along with other data sets and machine learning techniques to identify the cluster members complete down to ∼ 0.03 M⊙ in the central 22 arcmin area of IC 1396. We identify 458 cluster members including 62 brown dwarfs which are used to determine mass distribution in the region. We obtain a star-to-brown dwarf ratio of ∼ 6 for a stellar mass range 0.03–1 M⊙ in the studied cluster. The brown dwarf fraction is observed to increase across the cluster as radial distance from the central OB-stars increases. This study also compiles 15 young stellar clusters to check the variation of star-to-brown dwarf ratio relative to stellar density and ultraviolet (UV) flux ranging within 4–2500 stars pc−2 and 0.7–7.3 G0, respectively. The brown dwarf fraction is observed to increase with stellar density but the results about the influence of incident UV flux are inconclusive within this range. This is the deepest study of IC 1396 as of yet and it will pave the way to understand various aspects of brown dwarfs using spectroscopic observations in future.<\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"4","journal_volume":"528","format":"Medium: X; Size: p. 5633-5648","authors":["Gupta, Saumya (ORCID:0000000161843958)","Jose, Jessy (ORCID:0000000349084404)","Das, Swagat R. (ORCID:0000000171510882)","Guo, Zhen (ORCID:0000000302924832)","Damian, Belinda","Prakash, Prem","Samal, Manash R. (ORCID:0000000294316297)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308890"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308890"}]}, {"osti_id":"2290437","title":"Design and Development of Stable Nanocrystalline High‐Entropy Alloy: Coupling Self‐Stabilization and Solute Grain Boundary Segregation Effects","report_number":"BNL-225340-2024-JAAM","doi":"10.1002/smll.202309631","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Small","description":"<title>Abstract<\/title>\n <p>\n Grain growth is prevalent in nanocrystalline (NC) materials at low homologous temperatures. Solute element addition is used to offset excess energy that drives coarsening at grain boundaries (GBs), albeit mostly for simple binary alloys. This thermodynamic approach is considered complicated in multi‐component alloy systems due to complex pairwise interactions among alloying elements. Guided by empirical and GB‐segregation enthalpy considerations for binary‐alloy systems, a novel alloy design strategy, the\n <italic>“<\/italic>\n <italic>pseudo‐binary thermodynamic<\/italic>\n <italic>”<\/italic>\n approach, for stabilizing NC‐high entropy alloys (HEAs) and other multi‐component‐alloy variants is proposed. Using Al\n <sub>25<\/sub>\n Co\n <sub>25<\/sub>\n Cr\n <sub>25<\/sub>\n Fe\n <sub>25<\/sub>\n as a model‐HEA to validate this approach, Zr, Sc, and Hf, are identified as the preferred solutes that would segregate to HEA‐GBs to stabilize it against growth. Using Zr, NC‐Al\n <sub>25<\/sub>\n Co\n <sub>25<\/sub>\n Cr\n <sub>25<\/sub>\n Fe\n <sub>25<\/sub>\n HEAs with minor additions of Zr are synthesized, followed by annealing up to 1123 K. Using advanced characterization techniques— in situ X‐ray diffraction (XRD), scanning/transmission electron microscopy (S/TEM), and atom probe tomography, nanograin stability due to coupling\n <italic>self‐stabilization<\/italic>\n and\n <italic>solute‐GB segregation<\/italic>\n effects is reported in HEAs up to substantially high temperatures. The\n <italic>self‐stabilization<\/italic>\n effect originates from the preferential GB‐segregation of constituent HEA‐elements that stabilizes NC‐Al\n <sub>25<\/sub>\n Co\n <sub>25<\/sub>\n Cr\n <sub>25<\/sub>\n Fe\n <sub>25<\/sub>\n up to 0.5\n <italic>T<\/italic>\n <sub>m<\/sub>\n (\n <italic>T<\/italic>\n <sub>m<\/sub>\n –melting temperature). Meanwhile,\n <italic>solute‐GB segregation<\/italic>\n originates from Zr segregation to NC‐Al\n <sub>25<\/sub>\n Co\n <sub>25<\/sub>\n Cr\n <sub>25<\/sub>\n Fe\n <sub>25<\/sub>\n GBs; this results in further stabilization of the phase and grain‐size (≈14 nm) up to ≈0.58 and ≈0.64\n <italic>\n T\n <sub>m<\/sub>\n <\/italic>\n , respectively.\n <\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Small","format":"Medium: X","authors":["Adaan‐Nyiak, Moses A. [Department of Mechanical and Manufacturing Engineering University of Calgary 2500 University Drive NW Calgary Alberta T2N 1N4 Canada]","Alam, Intekhab [Department of Mechanical and Manufacturing Engineering University of Calgary 2500 University Drive NW Calgary Alberta T2N 1N4 Canada]","Jossou, Ericmoore [Nuclear Science and Technology Department Brookhaven National Laboratory Upton NY 11973 USA, Department of Nuclear Science and Engineering Massachusetts Institute of Technology Cambridge MA 02139 USA]","Hwang, Sooyeon [Center for Functional Nanomaterials Brookhaven National Laboratory Upton NY 11973 USA]","Kisslinger, Kim [Center for Functional Nanomaterials Brookhaven National Laboratory Upton NY 11973 USA]","Gill, Simerjeet K. [Nuclear Science and Technology Department Brookhaven National Laboratory Upton NY 11973 USA]","Tiamiyu, Ahmed A. [Department of Mechanical and Manufacturing Engineering University of Calgary 2500 University Drive NW Calgary Alberta T2N 1N4 Canada] (ORCID:000000033952578X)"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS","AlCoCrFe HEA","grain boundary segregation","high-entropy alloys (HEAs)","nanocrystalline alloys","nanograin stability","self-stabilization effect"],"article_type":"Published Article","doe_contract_number":"DE‐SC0012704; SC0012704","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)"],"journal_issn":"ISSN 1613-6810","other_identifiers":["Journal ID: ISSN 1613-6810; 2309631"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290437"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290437"}]}, {"osti_id":"2299513","title":"Novel principal component analysis tool based on <scp>python<\/scp> for analysis of complex spectra of time-of-flight secondary ion mass spectrometry","report_number":"PNNL-SA-189615","doi":"10.1116/6.0003355","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Vacuum Science and Technology A; Journal Volume: 42; Journal Issue: 2","description":"Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a powerful surface analysis tool, which can simultaneously provide elemental, isotopic, and molecular information with part per million (ppm) sensitivity. However, each spectrum may be composed of hundreds of ion signals, which makes the spectra data complex. Principal component analysis (PCA) is a multivariate analysis technique that has been widely used to figure out the variances among samples in ToF-SIMS spectra data analysis and is showing great success in the explanation of complex ToF-SIMS spectra. So far, several software tools have been developed for PCA of ToF-SIMS spectra; however, none of them are freely available. Such a situation leads to some difficulties in extending applications of PCA to various research fields. More importantly, it has long been challenging for common researchers to understand PCA plots and extract chemical differences among samples. Here in this work, we developed a new and flexible software tool (named “advanced spectra pca toolbox”) based on python for PCA of complex ToF-SIMS spectra along with an easy-to-read manual. It can generate data analysis reports automatically to explain chemical differences among samples, allowing less experienced researchers to easily understand tricky PCA results. Moreover, it is expandable and compatible with artificial intelligence/machine learning functions. Pure goethite and different lignin adsorbed goethite samples were used as a model system to demonstrate our new software tool, proving that our software tool can be readily used in complex spectra data processing. Our new software tool is open-source, convenient, flexible, and expandable. We expect this open-source tool will benefit the ToF-SIMS community.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"American Vacuum Society / AIP","journal_name":"Journal of Vacuum Science and Technology A","journal_issue":"2","journal_volume":"42","format":"Medium: ED; Size: Article No. 023204","authors":["Zhou, Yadong [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000290127536)","Jiang, Peishi [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Chen, Ping [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Jia, Endong [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Welch, Cole S. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Zhao, Qian [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000344893691)","Dhas, Jeffrey A. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000315850772)","Graham, Emily B. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000246237076)","Chen, Xingyuan [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000319285555)","Zhang, Xin [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:000000032000858X)","Zhu, Zihua [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000157708462)"],"subjects":["47 OTHER INSTRUMENTATION","data processing","artificial intelligence","machine learning","programming languages","secondary ion mass spectrometry","spectroscopy","minerals","statistical analysis"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Office of Science (SC)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 0734-2101","other_identifiers":["Journal ID: ISSN 0734-2101"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2299513"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2299513"}]}, {"osti_id":"2317754","title":"Ant handling changes myrmecochore seed coat microbiomes and alters diversity of seed-borne plant pathogenic fungi","doi":"10.1111/1365-2435.14517","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Functional Ecology","description":"<title>Abstract<\/title>\n <p>\n <list>\n <list-item>\n <p>The putative benefits to seeds in myrmecochory (ant‐mediated seed dispersal) are often cast in a reward context. However, microbes have been mostly overlooked as seed mortality agents in myrmecochory, as have potential treatments provided by ant‐handling.<\/p>\n <\/list-item>\n <list-item>\n <p>We investigated the effects of ant handling on the diversity of seed coat fungal communities of three myrmecochorous plant species.<\/p>\n <\/list-item>\n <list-item>\n <p>Ant‐handling altered measures of both alpha and beta diversity of fungal communities. Ant‐handled seeds harboured different overall fungal communities and plant pathogen communities than non‐ant‐handled seeds. The myrmecochore pathogenic fungal community showed high dissimilarity (high pairwise community turnover) between ant‐handled and control seeds, while beta diversity measures for ant‐handled seeds and seeds with manually removed elaiosomes were less dissimilar.<\/p>\n <\/list-item>\n <list-item>\n <p>Ant handling may offer an additional benefit to myrmecochorous seeds via the reduction in the seed coat pathogenic community, which may be driven by elaiosome removal or as a by‐product of ant cleaning behaviours and chemical secretions.<\/p>\n <\/list-item>\n <\/list>\n <\/p>\n <p>\n Read the free\n <ext-link href=\'https://fesummaries.wordpress.com/2024/01/24/ant-handling-changes-myrmecochore-seed-coat-microbiomes-and-alters-diversity-of-seed-borne-plant-pathogenic-fungi/\'>Plain Language Summary<\/ext-link>\n for this article on the Journal blog.\n <\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"British Ecological Society; Wiley","journal_name":"Functional Ecology","format":"Medium: ED","authors":["Lash, Chloe L. [Univ. of Tennessee, Knoxville, TN (United States); Univ. of St. Francis, Joliet, IL (United States)] (ORCID:0000000216766575)","Cregger, Melissa A. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000018329366X)","Kinkopf, Anne M. [West Virginia Univ., Morgantown, WV (United States)]","Buerger, Nicole [Milwaukee School of Engineering (MSOE), WI (United States)]","Klingeman, Dawn Marie [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000243072560)","Kwit, Charles [Univ. of Tennessee, Knoxville, TN (United States)] (ORCID:0000000289889517)"],"subjects":["ant–plant–fungal interaction","microbiome","myrmecochory","plant pathogens","seed dispersal"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0269-8463","other_identifiers":["Journal ID: ISSN 0269-8463"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317754"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317754"}]}, {"osti_id":"2287693","title":"A Theoretical Study of Doping Evolution of Phonons in High-Temperature Cuprate Superconductors","doi":"10.3390/condmat9010013","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Condensed Matter Journal Volume: 9 Journal Issue: 1","description":"<p>Hole-doped high-temperature copper oxide-based superconductors (cuprates) exhibit complex phase diagrams where electronic orders like a charge density wave (CDW) and superconductivity (SC) appear at low temperatures. The origins of these electronic orders are still open questions due to their complex interplay and correlated nature. These electronic orders can modify the phonons in the system, which has also been experimentally found in several cuprates as a softening in the phonon frequency at the CDW vector. Recent experiments have revealed that the softening in phonons in cuprates due to CDW shows intriguing behavior with increasing hole doping. Hole doping can also change the underlying Fermi surface. Therefore, it is an interesting question whether the doping-induced change in the Fermi surface can affect the softening of phonons, which in turn can reveal the nature of the electronic orders present in the system. In this work, we investigate this question by studying the softening of phonons in the presence of CDW and SC within a perturbative approach developed in an earlier work. We compare the results obtained within the working model to some experiments.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"MDPI AG","journal_name":"Condensed Matter","journal_issue":"1","journal_volume":"9","format":"Medium: X; Size: Article No. 13","authors":["Sarkar, Saheli (ORCID:0009000163709485)"],"article_type":"Published Article","doe_contract_number":"SC0012704","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2410-3896","other_identifiers":["Journal ID: ISSN 2410-3896; CMOAFD; PII: condmat9010013"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287693"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287693"}]}, {"osti_id":"2320340","title":"Tomographic FLEET with a wedge array for multi-point three-component velocimetry","report_number":"SAND-2024-02570J","doi":"10.1364/ol.512052","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optics Letters; Journal Volume: 49; Journal Issue: 4","description":"<p>Femtosecond laser electronic excitation tagging (FLEET) velocimetry is an important diagnostic technique for seedless velocimetry measurements particularly in supersonic and hypersonic flows. Typical FLEET measurements feature a single laser line and camera system to achieve one-component velocimetry along a line, although some multiple-spot and multiple-component configurations have been demonstrated. In this work, tomographic imaging is used to track the three-dimensional location of many FLEET spots. A quadscope is used to combine four unique views onto a single high-speed image intensifier and camera. Tomographic reconstructions of the FLEET emission are analyzed for three-component velocimetry from multiple FLEET spots. Glass wedges are used to create many (nine) closely spaced FLEET spots with less than 10% transmission losses. These developments lead to a significant improvement in the dimensionality and spatial coverage of a FLEET instrument with some increases in experimental complexity and data processing. Multiple-point three-component FLEET velocimetry is demonstrated in an underexpanded jet.<\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Optical Society of America (OSA)","journal_name":"Optics Letters","journal_issue":"4","journal_volume":"49","format":"Medium: ED; Size: p. 846-849","authors":["Richardson, Daniel R. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000178525657)","Zhang, Yibin [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000243629373)","Beresh, Steven J. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]"],"subjects":["optical sensors","measurements","metrology","beam splitters","camera calibration","femtosecond lasers","image metrics","laser beams","ultrafast lasers"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0146-9592","other_identifiers":["Journal ID: ISSN 0146-9592"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320340"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2320340"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320340"}]}, {"osti_id":"2284015","title":"Why quarkonium hybrid coupling to two\n <math display=\'inline\'>\n <mrow>\n <mi>S<\/mi>\n <\/mrow>\n <\/math>\n -wave heavy-light mesons is not suppressed","doi":"10.1103/PhysRevD.109.L031501","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D. Journal Volume: 109 Journal Issue: 3","description":"We examine the couplings of quarkonium hybrids to heavy-light meson pairs in the Born-Oppenheimer approximation for QCD. The lowest hybrid multiplets consist of bound states of the Π<sub>u<\/sub> and Σ<sub>u<\/sub><sup>–<\/sup> potentials. We find that the Σ<sub>u<\/sub><sup>–<\/sup> potential can couple to pairs of S-wave mesons through string breaking, while the Π<sub>u<\/sub> potential cannot. From this observation, we derive model-independent selection rules that contradict previous expectations that quarkonium hybrids are forbidden to decay into pairs of S-wave mesons. These Born-Oppenheimer selection rules are consistent with the partial decay widths of the lowest charmonium hybrid with exotic quantum numbers J<sup>PC<\/sup> = 1<sup>-+<\/sup> recently calculated using lattice QCD.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. D.","journal_issue":"3","journal_volume":"109","format":"Medium: X","authors":["Bruschini, R. (ORCID:0000000290730191)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","QCD phenomenology","Heavy mesons","Hybrid mesons","Symmetries"],"article_type":"Published Article","contributing_org":"ExoHad Collaboration","doe_contract_number":"SC0011726","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"The Ohio State University, Columbus, OH (United States)"}],"research_orgs":["The Ohio State University, Columbus, OH (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; PRVDAQ; L031501"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284015"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284015"}]}, {"osti_id":"2290413","title":"Sequential formulation of all‐way coupled finite strain thermoporomechanics for largely deformable gas hydrate deposits","doi":"10.1002/nag.3696","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: International Journal for Numerical and Analytical Methods in Geomechanics","description":"<title>Abstract<\/title>\n <p>We develop a numerically stable sequential formulation of thermoporomechanics for largely deformable gas hydrate deposits, extended from the fixed stress split of infinitesimal transformation. Constitutive equations are based on the total Lagrangian approach for both flow and geomechanics, including dynamic full tensor permeability and thermal conductivity updated from the deformation gradient. For space discretization, we take the cell‐centered finite volume and node‐based finite element method for flow and geomechanics, respectively. Then, we propose a sequential implicit method for all‐way coupled thermoporomechanics, where the nonisothermal multiphase flow problem of gas hydrates is solved implicitly first and then the geomechanics problem is solved implicitly at the next step. During solution of the flow problem, we fix the rate of first Pioal total stress for numerical stability as well as apply porosity correction and entropy correction to account for geomechanical effects. We test numerical examples where flow and geomechanics parameters are based on deep oceanic gas hydrate deposits. When applying depressurization, even though the results between the infinitesimal transformation and finite strain geomechanics are similar in the early stages due to small deformation, we find differences between them in the late times as deformation becomes large. Accordingly, permeability and thermal conductivity tensors become nonisotropic full tensors although they are initially isotropic. We identify numerical stability of the developed sequential method from the test cases that exhibit the highly complex coupled gas hydrate systems with large deformation. Thus, the proposed sequential formulation can be applied in largely deformable gas hydrate systems.<\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"International Journal for Numerical and Analytical Methods in Geomechanics","format":"Medium: X","authors":["Kim, Jihoon [Harold Vance Department of Petroleum Engineering Texas A&,M University College Station Texas USA] (ORCID:0000000263918711)","Lee, Joo Yong [Climate Change Response Division Korea Institute of Geoscience and Mineral Resources Daejeon South Korea]"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"DE‐FE0028973","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0363-9061","other_identifiers":["Journal ID: ISSN 0363-9061; nag.3696"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290413"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290413"}]}, {"osti_id":"2290434","title":"Impacts of Topography‐Driven Water Redistribution on Terrestrial Water Storage Change in California Through Ecosystem Responses","doi":"10.1029/2023WR035572","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Water Resources Research Journal Volume: 60 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>Lateral subsurface flow plays an essential role in sustaining the terrestrial ecosystem, but it is not explicitly represented in most Earth System Models. In this study, we implemented an explicit lateral saturated flow model into the E3SM land model (ELM). The model explicitly describes lateral flow in the saturated zone by representing, for each model grid, an idealized hillslope consisting of five hydrologically connected soil columns. We conducted three model experiments driven by 0.125° atmospheric forcing data during 1980–2015 over California using models of the default ELM, a modified version of ELM to enhance infiltration, and the model with the lateral saturated flow model. The simulated runoff, evapotranspiration, and terrestrial water storage anomaly (TWSA) from the three simulations were evaluated against available observations, and the model explicitly representing lateral flow performs best. The new model produces greater gridcell‐averaged evapotranspiration especially over the mountainous regions with moderate relief and seasonally dry climates. Most importantly, it improves the modeled seasonal variations, interannual variabilities, and the recent decadal decline of TWSA. Many of these improvements can be attributed to the enhanced ecosystem resilience to droughts as demonstrated by transpiration increases caused by lateral flow. Model sensitivity experiments suggest that subsurface runoff is most sensitive to the ratio between horizontal and vertical saturated hydraulic conductivity, followed by hillslope planforms (convergent, divergent, and uniform), number of columns, and lower boundary conditions. Future work should effectively characterize hillslopes in global models and explore the long‐term influences of lateral water movement on modeled biogeochemical cycle.<\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Water Resources Research","journal_issue":"2","journal_volume":"60","format":"Medium: X","authors":["Zhang, Xue‐Yan [Department of Hydrology and Atmospheric Sciences The University of Arizona Tucson AZ USA] (ORCID:0000000235361098)","Fang, Yuanhao [Department of Hydrology and Atmospheric Sciences The University of Arizona Tucson AZ USA, College of Hydrology and Water Resources Hohai University Nanjing China] (ORCID:0000000265102302)","Niu, Guo‐Yue [Department of Hydrology and Atmospheric Sciences The University of Arizona Tucson AZ USA] (ORCID:0000000321057690)","Troch, Peter A. [Department of Hydrology and Atmospheric Sciences The University of Arizona Tucson AZ USA, Biosphere 2 University of Arizona Tucson AZ USA] (ORCID:0000000192751546)","Guo, Bo [Department of Hydrology and Atmospheric Sciences The University of Arizona Tucson AZ USA] (ORCID:0000000288257331)","Leung, L. Ruby [Atmospheric Sciences and Global Change Division Pacific Northwest National Laboratory Richland WA USA] (ORCID:0000000232219467)","Brunke, Michael A. [Department of Hydrology and Atmospheric Sciences The University of Arizona Tucson AZ USA]","Broxton, Patrick [School of Natural Resources and the Environment University of Arizona Tucson AZ USA] (ORCID:0000000226656820)","Zeng, Xubin [Department of Hydrology and Atmospheric Sciences The University of Arizona Tucson AZ USA]"],"article_type":"Published Article","doe_contract_number":"DE‐AC05‐76RL01830","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0043-1397","other_identifiers":["Journal ID: ISSN 0043-1397; e2023WR035572"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290434"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290434"}]}, {"osti_id":"2287697","title":"Structural characterization of a new samarium–sodium heterometallic coordination polymer","report_number":"PNNL-SA-192267","doi":"10.1107/S2056989024001051","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Acta Crystallographica. Section E, Crystallographic Communications Journal Volume: 80 Journal Issue: 3","description":"Lanthanide-containing materials are of inter­est in the field of crystal engin­eering because of their unique properties and distinct structure types. In this context, a new samarium–sodium heterometallic coordination polymer, poly[tetra­kis­(μ<sub>2<\/sub>-2-formyl-6-meth­oxy­phenolato)samarium(III)sodium(I)], {[SmNa(C<sub>8<\/sub>H<sub>7<\/sub>O<sub>3<\/sub>)<sub>4<\/sub>]·solvent}<sub>n<\/sub> (Sm-1), was synthesized and crystallized via slow evaporation from a mixture of ethanol and aceto­nitrile. The compound features alternating Sm<sup>III<\/sup> and Na<sup>I<\/sup> ions, which are linked by ortho-vanillin (o-vanillin) ligands to form a mono-periodic chain-like coordination polymer. The chains propagate along the [001] direction. Residual electron density of disordered solvent mol­ecules in the void space could not be reasonably modeled, thus the SQUEEZE function was applied. The structural, vibrational, and optical properties are reported.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"International Union of Crystallography (IUCr)","journal_name":"Acta Crystallographica. Section E, Crystallographic Communications","journal_issue":"3","journal_volume":"80","format":"Medium: X; Size: p. 267-270","authors":["Hastings, Ashley M. (ORCID:0000000238306764)","Williams, Ashley","Surbella III, Robert G. (ORCID:0000000311109506)","Hixon, Amy E.","Arteaga, Ana (ORCID:0000000283302279)"],"subjects":["38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY","37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","crystal structure","samarium","o-vanillin","coordination polymer","lanthanide chemistry"],"article_type":"Published Article","doe_contract_number":"NA0003763; AC05-76RL01830","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"University of Notre Dame, IN (United States)"},{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"},{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["University of Notre Dame, IN (United States)","Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)","Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 2056-9890","other_identifiers":["Journal ID: ISSN 2056-9890; ACSECI; PII: S2056989024001051"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287697"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287697"}]}, {"osti_id":"2287692","title":"Manganese Carbonate/Laser-Induced Graphene Composite for Glucose Sensing","doi":"10.1021/acsomega.3c07642","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Omega","description":"Laser-induced graphene (LIG) has received great interest as a potential candidate for electronic and sensing applications. In the present study, we report the enhanced performance of a manganese carbonatedecorated LIG (MnCO<sub>3<\/sub>/LIG) composite electrode material employed for electrochemical glucose detection. Initially, the porous LIG was fabricated by directly lasing poly(ether sulfone) membrane substrate. Then, the MnCO<sub>3<\/sub>/LIG composite was synthesized via a hydrothermal method. Later, MnCO<sub>3<\/sub>/LIG was immobilized onto a glassy carbon electrode surface and employed for glucose detection. The structure of the MnCO<sub>3<\/sub>/LIG composite was carefully characterized. The influence of the MnCO<sub>3<\/sub>/LIG composite on the performance of the electrode was investigated using cyclic voltammetry curves. The MnCO<sub>3<\/sub>/LIG composite exhibited an excellent sensitivity of 2731.2 μA mM<sup>–1<\/sup> cm<sup>–2<\/sup>, and a limit of detection of 2.2 μM was obtained for the detection of glucose. Overall, the performance of the MnCO<sub>3<\/sub>/LIG composite was found to be superior to that of most of the MnCO<sub>3<\/sub>-based composites.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Omega","format":"Medium: X","authors":["Thakur, Amit K. [Department of Chemical Engineering, Texas Tech University, Lubbock, Texas 79409, United States] (ORCID:0000000314096202)","Sengodu, Prakash [Department of Industrial Chemistry, School of Chemical Sciences, Alagappa University, Karaikudi, Tamil Nadu 630003, India]","Jadhav, Arvind H. [Centre for Nano and Material Science (CNMS), Jain University, Bangalore 562112, India] (ORCID:0000000291281981)","Malmali, Mahdi [Department of Chemical Engineering, Texas Tech University, Lubbock, Texas 79409, United States] (ORCID:0000000151901261)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Carbohydrates","Chromatography","Composites","Electrodes","Sensors"],"article_type":"Published Article","doe_contract_number":"EE0007888","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Materials & Manufacturing Technologies Office (AMMTO)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Materials & Manufacturing Technologies Office (AMMTO)"],"orgs_research":[{"name":"Texas Tech Univ., Lubbock, TX (United States)"}],"research_orgs":["Texas Tech Univ., Lubbock, TX (United States)"],"journal_issn":"ISSN 2470-1343","other_identifiers":["Journal ID: ISSN 2470-1343; acsomega.3c07642"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287692"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287692"}]}, {"osti_id":"2315662","title":"Simulating gas-filled neutron detector responses with DRiFT","report_number":"LA-UR-23-30247","doi":"10.1016/j.nima.2024.169164","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment; Journal Volume: 1061","description":"– Gas-filled neutron detectors have numerous applications across the nuclear engineering and nuclear physics fields. The ability to accurately model and simulate these detectors is important for those applications but is currently limited by the lack of readily-useable detector response software. Recently, the capabilities of DRiFT, a Detector Response Function Toolkit, were expanded to model gas-filled, He-3 and BF3, neutron detectors so that, combined with the radiation transport capabilities of the MCNP code, a high-fidelity treatment of gas-filled neutron detectors can be obtained. Further, this model has been validated by an experiment carried out with the Epithermal Neutron Multiplicity Counter and its capabilities have been demonstrated in two additional experiments. This work shows that utilizing DRiFT to post-process MCNP outputs produces more accurate results than using the MCNP code alone, reducing the difference between experimental and simulated results for measurements taken near the end of a He-3 tube, where the MCNP code struggles to model inactive regions of the detector, from a maximum of 35% with the MCNP code alone to 15% with the MCNP code plus DRiFT. DRiFT\'s diagnostic capabilities are also demonstrated with measurements for scenarios when pulse pileup or room return effects are significant and must be considered. Altogether, these measurements underpin the ability of DRiFT to accurately model and predict the behavior of gas-filled neutron detectors, making it a valuable tool for the design and testing of systems and experiments that utilize these detectors.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Elsevier","journal_name":"Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment","journal_volume":"1061","format":"Medium: ED; Size: Article No. 169164","authors":["Mullen, Austin Daniel [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000152152119)","Andrews, Madison Theresa [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000314620692)","Rondini, Lucia Isabella [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Columbia Univ., New York, NY (United States)]","Thompson, Cole Joseph [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000227495918)"],"subjects":["46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY","DRiFT","He-3","Gas Detectors","Simulation","MCNP"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0168-9002","other_identifiers":["Journal ID: ISSN 0168-9002"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315662"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315662"}]}, {"osti_id":"2290390","title":"Bulk‐Heterojunction Electrocatalysts in Confined Geometry Boosting Stable, Acid/Alkaline‐Universal Water Electrolysis","doi":"10.1002/aenm.202303924","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Energy Materials","description":"<title>Abstract<\/title>\n <p>\n Alkaline water splitting electrocatalysts have been studied for decades; however, many difficulties remain for commercialization, such as sluggish hydrogen evolution reaction (HER) kinetics and poor catalytic stability. Herein, by mimicking the bulk‐heterojunction morphology of conventional organic solar cells, a uniform 10 nm scale nanocube is reported that consists of subnanometer‐scale heterointerfaces between transition metal phosphides and oxides, which serves as an alkaline water splitting electrocatalyst; showing great performance and stability toward HER and oxygen evolution reaction (OER). Interestingly, the nanocube electrocatalyst reveals acid/alkaline independency from the synergistic effect of electrochemical HER (cobalt phosphide) and thermochemical water dissociation (cobalt oxide). From the spray coating process, nanocube electrocatalyst spreads uniformly on large scale (≈6.6 × 5.6 cm\n <sup>2<\/sup>\n ) and is applied to alkaline water electrolyzers, stably delivering 600 mA cm\n <sup>−2<\/sup>\n current for >100 h. The photovoltaic‐electrochemical (PV‐EC) system, including silicon PV cells, achieves 11.5% solar‐to‐hydrogen (STH) efficiency stably for >100 h.\n <\/p>","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Energy Materials","format":"Medium: X","authors":["Jang, Gyu Yong [Department of Chemical and Biomolecular Engineering Yonsei University 50 Yonsei‐ro, Seodaemun‐gu Seoul 03722 Republic of Korea, Department of Chemical and Biomolecular Engineering Rice University Houston TX 77005 USA]","Kim, Sungsoon [Department of Chemical and Biomolecular Engineering Yonsei University 50 Yonsei‐ro, Seodaemun‐gu Seoul 03722 Republic of Korea, Department of Mechanical Engineering Stanford University Stanford CA 94305 USA]","Choi, Jinu [Department of Chemical Engineering University of Seoul 163 Seoulsiripdae‐ro Seoul 02504 Republic of Korea]","Park, Jeonghwan [School of Energy and Chemical Engineering Ulsan National Institute of Science and Technology (UNIST) 50 UNIST‐gil Ulsan 44919 Republic of Korea]","An, SiEon [Hydrogen Research Department Korea Institute of Energy Research 152 Gajung‐ro Daejeon 34129 Republic of Korea, School of Mechanical Engineering Yonsei University 50 Yonsei‐ro, Seodaemun‐gu Seoul 03722 South Korea]","Baek, Jihyun [Department of Mechanical Engineering Stanford University Stanford CA 94305 USA]","Li, Yuzhe [Department of Mechanical Engineering Stanford University Stanford CA 94305 USA]","Liu, Tae‐Kyung [Department of Chemical and Biomolecular Engineering Yonsei University 50 Yonsei‐ro, Seodaemun‐gu Seoul 03722 Republic of Korea]","Kim, Eugene [Department of Chemical and Biomolecular Engineering Yonsei University 50 Yonsei‐ro, Seodaemun‐gu Seoul 03722 Republic of Korea]","Lee, Jung Hwan [Department of Chemical and Biomolecular Engineering Yonsei University 50 Yonsei‐ro, Seodaemun‐gu Seoul 03722 Republic of Korea]","Wang, Haotian [Department of Chemical and Biomolecular Engineering Rice University Houston TX 77005 USA, Department of Materials Science and NanoEngineering Rice University Houston TX 77005 USA, Department of Chemistry Rice University Houston TX 77005 USA]","Kim, MinJoong [Hydrogen Research Department Korea Institute of Energy Research 152 Gajung‐ro Daejeon 34129 Republic of Korea]","Cho, Hyun‐Seok [Hydrogen Research Department Korea Institute of Energy Research 152 Gajung‐ro Daejeon 34129 Republic of Korea]","Zheng, Xiaolin [Department of Mechanical Engineering Stanford University Stanford CA 94305 USA]","Yoo, Jong Suk [Department of Chemical Engineering University of Seoul 163 Seoulsiripdae‐ro Seoul 02504 Republic of Korea]","Seo, Kwanyong [School of Energy and Chemical Engineering Ulsan National Institute of Science and Technology (UNIST) 50 UNIST‐gil Ulsan 44919 Republic of Korea]","Park, Jong Hyeok [Department of Chemical and Biomolecular Engineering Yonsei University 50 Yonsei‐ro, Seodaemun‐gu Seoul 03722 Republic of Korea] (ORCID:0000000266293147)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1614-6832","other_identifiers":["Journal ID: ISSN 1614-6832; 2303924"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290390"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290390"}]}, {"osti_id":"2316136","title":"An Envelope Time Synchronous Averaging for Wind Turbine Gearbox Fault Diagnosis","report_number":"NREL/JA-5000-81628","doi":"10.1007/s42417-023-01267-y","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Vibration Engineering and Technologies","description":"Vibration-based condition monitoring techniques are widely used for diagnosing faults in rotating machines. These techniques are implemented in the time domain, the frequency domain, or both. However, the composite and noisy nature of the raw data collected requires a preprocessing stage such as filtering and decomposition using in-depth processing techniques. Moreover, these methods require good frequency resolution and involve examining a broad frequency range to discern both healthy and faulty cases. In this work, we introduce a simple and fast diagnostic scheme for wind turbine gear teeth wear based on time domain analysis. The proposed method is based on the local minima interpolation of a filtered version of the vibration signal following time synchronous averaging (TSA) technique. Given tachometer signal, the TSA of the vibration data is performed using MTALAB software. Then, local minima of the filtered signal are interpolated using the Piecewise Cubic Hermite Interpolating Polynomial (PCHIP) function. The variance of the interpolated curve built a gear fault index. The derived fault index resulting of the proposed technique allows a substantial distinction between the healthy and faulty cases. Its efficiency is validated using 10 real-world datasets of vibration stemmed from a wind turbine planetary gearbox. The proposed method boasts a low computation time and ease of interpretation, specifically beneficial for gearbox fault diagnosis purposes.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","journal_name":"Journal of Vibration Engineering and Technologies","format":"Medium: X","authors":["Touti, Walid","Salah, Mohamed","Sheng, Shawn (ORCID:0000000301340907)","Bacha, Khmais"],"subjects":["WIND ENERGY","fault diagnosis","gearbox fault","spectral analysis","statistical parameters","time synchronous averaging","wind turbines"],"article_type":"","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Wind Energy Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Wind Energy Technologies Office"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"other_identifiers":["MainId:82401;UUID:b38d5051-9742-49cd-ac7f-90eea66af865;MainAdminId:71968"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316136"}]}, {"osti_id":"2283938","title":"Hybrid Molecular Beam Epitaxy for Single-Crystalline Oxide Membranes with Binary Oxide Sacrificial Layers","doi":"10.1021/acsnano.3c11192","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Nano","description":"The advancement in thin-film exfoliation for synthesizing oxide membranes has led to possibilities for creating artificially assembled heterostructures with structurally and chemically incompatible materials. The sacrificial layer method is a promising approach to exfoliate as-grown films from a compatible material system, allowing for their integration with dissimilar materials. Nonetheless, the conventional sacrificial layers often possess an intricate stoichiometry, thereby constraining their practicality and adaptability, particularly when considering techniques such as molecular beam epitaxy (MBE). This is where easy-to-grow binary alkaline-earth-metal oxides with a rock salt crystal structure are useful. These oxides, which include (Mg, Ca, Sr, Ba)O, can be used as a sacrificial layer covering a much broader range of lattice parameters compared to conventional sacrificial layers and are easily dissolvable in deionized water. In this study, we show the epitaxial growth of the single-crystalline perovskite SrTiO<sub>3<\/sub> (STO) on sacrificial layers consisting of crystalline SrO, BaO, and Ba<sub>1–x<\/sub>Ca<sub>x<\/sub>O films, employing a hybrid MBE method. Our results highlight the rapid (≤5 min) dissolution of the sacrificial layer when immersed in deionized water, facilitating the fabrication of millimeter-sized STO membranes. Using high-resolution X-ray diffraction, atomic-force microscopy, scanning transmission electron microscopy, impedance spectroscopy, and scattering-type near-field optical microscopy (SNOM), we demonstrate single-crystalline STO membranes with bulk-like intrinsic dielectric properties. Here, the employment of alkaline earth metal oxides as sacrificial layers is likely to simplify membrane synthesis, particularly with MBE, thus expanding the research and application possibilities.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"ACS Nano","format":"Medium: ED","authors":["Varshney, Shivasheesh [University of Minnesota, Twin Cities, MN (United States)]","Choo, Sooho [University of Minnesota, Twin Cities, MN (United States)]","Thompson, Liam [University of Minnesota, Twin Cities, MN (United States)]","Yang, Zhifei [University of Minnesota, Twin Cities, MN (United States)]","Shah, Jay [University of Minnesota, Twin Cities, MN (United States)]","Wen, Jiaxuan [University of Minnesota, Twin Cities, MN (United States)]","Koester, Steven J. [University of Minnesota, Twin Cities, MN (United States)] (ORCID:0000000161041218)","Mkhoyan, K. Andre [University of Minnesota, Twin Cities, MN (United States)] (ORCID:0000000335685452)","McLeod, Alexander S. [University of Minnesota, Twin Cities, MN (United States)]","Jalan, Bharat [University of Minnesota, Twin Cities, MN (United States)] (ORCID:0000000279400490)"],"subjects":["42 ENGINEERING","SrTiO3 thin film","molecular beam epitaxy","membrane","synthesis","heterogeneous integration"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0023464; SC0020211; FA9550-21-1-0025; FA9550-21-0460; FA9550-23-1-0247","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"US Air Force Office of Scientific Research (AFOSR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","US Air Force Office of Scientific Research (AFOSR)"],"orgs_research":[{"name":"University of Minnesota, Twin Cities, MN (United States)"}],"research_orgs":["University of Minnesota, Twin Cities, MN (United States)"],"journal_issn":"ISSN 1936-0851","other_identifiers":["Journal ID: ISSN 1936-0851"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283938"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283938"}]}, {"osti_id":"2251551","title":"Determination of the vacancy distribution over Al cation sites in γ-Al\n <sub>2<\/sub>\n O\n <sub>3<\/sub>","doi":"10.1039/D3MA00549F","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Materials Advances Journal Volume: 5 Journal Issue: 3","description":"<p>\n Correlated experimental and simulated electron diffraction and energy-loss spectroscopy were employed to determine the distribution of Al vacancies in the defective spinel structure of γ-Al\n <sub>2<\/sub>\n O\n <sub>3<\/sub>\n , which is important for accurate materials modeling.\n <\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-06T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Materials Advances","journal_issue":"3","journal_volume":"5","format":"Medium: X; Size: p. 1078-1087","authors":["Ayoola, Henry O. [Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA 15261, USA]","Li, Cheng-Han [Department of Materials Science and Engineering, The Ohio State University, Columbus, OH 43210, USA]","House, Stephen D. [Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA 15261, USA, Environmental TEM Catalysis Consortium (ECC), University of Pittsburgh, Pittsburgh, PA 15261, USA, Center for Integrated Nanotechnologies, Sandia National Laboratories, Albuquerque, NM 87123, USA] (ORCID:0000000320356373)","McCann, Matthew P. [Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA 15261, USA]","Kas, Joshua J. [Department of Physics, University of Washington, Seattle, WA 98195, USA]","Jinschek, Joerg R. [Department of Materials Science and Engineering, The Ohio State University, Columbus, OH 43210, USA] (ORCID:0000000315740899)","Rehr, John J. [Department of Physics, University of Washington, Seattle, WA 98195, USA]","Saidi, Wissam A. [Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, PA 15261, USA, National Energy Technology Laboratory, Pittsburgh, PA 15236, USA] (ORCID:0000000167144832)","Yang, Judith C. [Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA 15261, USA, Environmental TEM Catalysis Consortium (ECC), University of Pittsburgh, Pittsburgh, PA 15261, USA, Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, PA 15261, USA]"],"article_type":"Published Article","doe_contract_number":"SC0012704; NA-0003525","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2633-5409","other_identifiers":["Journal ID: ISSN 2633-5409; MAADC9"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2251551"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2251551"}]}, {"osti_id":"2274982","title":"Complexation of heavy metal cations with imidazolium ionic liquids lowers their reduction energy: implications for electrochemical separations","doi":"10.1039/D3GC03713D","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Green Chemistry Journal Volume: 26 Journal Issue: 3","description":"<p>Formation of highly reducible ionic liquid lead complexes in dilute aqueous solutions opens up new opportunities to employ green ionic liquids to separate heavy toxic metals efficiently.<\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-06T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Green Chemistry","journal_issue":"3","journal_volume":"26","format":"Medium: X; Size: p. 1566-1576","authors":["Tan, Shuai [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, USA]","Zhang, Difan [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, USA]","Chen, Ying [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, USA] (ORCID:0000000174170991)","Helfrecht, Benjamin A. [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, USA]","Baxter, Eric T. [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, USA]","Cao, Wenjin [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, USA] (ORCID:0000000228524047)","Wang, Xue-Bin [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, USA] (ORCID:0000000183261780)","Nguyen, Manh-Thuong [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, USA]","Johnson, Grant E. [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, USA] (ORCID:0000000333524444)","Prabhakaran, Venkateshkumar [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, USA] (ORCID:0000000166926488)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9262","other_identifiers":["Journal ID: ISSN 1463-9262; GRCHFJ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2274982"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2274982"}]}, {"osti_id":"2290380","title":"Enhancing 2‐Pyrone Synthase Efficiency by High‐Throughput Mass‐Spectrometric Quantification and In Vitro/In Vivo Catalytic Performance Correlation","doi":"10.1002/cbic.202300849","product_type":"Journal Article","language":"English","country_publication":"France","relation":"Journal Name: ChemBioChem: a European journal of chemical biology Journal Volume: 25 Journal Issue: 5","description":"<title>Abstract<\/title>\n <p>\n Engineering efficient biocatalysts is essential for metabolic engineering to produce valuable bioproducts from renewable resources. However, due to the complexity of cellular metabolic networks, it is challenging to translate success in vitro into high performance in cells. To meet such a challenge, an accurate and efficient quantification method is necessary to screen a large set of mutants from complex cell culture and a careful correlation between the catalysis parameters in vitro and performance in cells is required. In this study, we employed a mass‐spectrometry based high‐throughput quantitative method to screen new mutants of 2‐pyrone synthase (2PS) for triacetic acid lactone (TAL) biosynthesis through directed evolution in\n <italic>E. coli<\/italic>\n . From the process, we discovered two mutants with the highest improvement (46 fold) in titer and the fastest\n <italic>k<\/italic>\n <sub>cat<\/sub>\n (44 fold) over the wild type 2PS, respectively, among those reported in the literature. A careful examination of the correlation between intracellular substrate concentration, Michaelis‐Menten parameters and TAL titer for these two mutants reveals that a fast reaction rate under limiting intracellular substrate concentrations is important for in‐cell biocatalysis. Such properties can be tuned by protein engineering and synthetic biology to adopt these engineered proteins for the maximum activities in different intracellular environments.\n <\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"ChemBioChem: a European journal of chemical biology","journal_issue":"5","journal_volume":"25","format":"Medium: X","authors":["Zhou, Yu [Department of Chemistry The University of Texas at Austin 105 E 24th St Austin TX 78712 USA, DOE Center for Advanced Bioenergy and Bioproducts Innovation University of Illinois at Urbana-Champaign 1206 W Gregory Dr Urbana IL 61801 USA] (ORCID:0000000218829891)","Zhou, Shuaizhen [DOE Center for Advanced Bioenergy and Bioproducts Innovation University of Illinois at Urbana-Champaign 1206 W Gregory Dr Urbana IL 61801 USA, Carl R. Woese Institute for Genomic Biology University of Illinois at Urbana-Champaign 1206 W Gregory Dr Urbana IL 61801 USA] (ORCID:0000000272684961)","Lyons, Scott [Department of Molecular Bioscience The University of Texas at Austin 100 E 24th St Austin TX 78712 USA]","Sun, Haoran [Department of Molecular Bioscience The University of Texas at Austin 100 E 24th St Austin TX 78712 USA]","Sweedler, Jonathan V. [DOE Center for Advanced Bioenergy and Bioproducts Innovation University of Illinois at Urbana-Champaign 1206 W Gregory Dr Urbana IL 61801 USA, Carl R. Woese Institute for Genomic Biology University of Illinois at Urbana-Champaign 1206 W Gregory Dr Urbana IL 61801 USA, Department of Chemistry University of Illinois at Urbana-Champaign 505 S Mathews Avenue Urbana IL 61801 USA] (ORCID:0000000331079922)","Lu, Yi [Department of Chemistry The University of Texas at Austin 105 E 24th St Austin TX 78712 USA, DOE Center for Advanced Bioenergy and Bioproducts Innovation University of Illinois at Urbana-Champaign 1206 W Gregory Dr Urbana IL 61801 USA] (ORCID:0000000312216709)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1439-4227","other_identifiers":["Journal ID: ISSN 1439-4227; e202300849"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290380"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290380"}]}, {"osti_id":"2283990","title":"Ammonia Retention in Biowaste via Low-Temperature-Plasma-Synthesized Nitrogen Oxyacids: Toward Sustainable Upcycling of Animal Waste","doi":"10.1021/acssuschemeng.3c06423","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Sustainable Chemistry & Engineering Journal Volume: 12 Journal Issue: 7","description":"Sustainable fertilizer production is a pressing challenge due to a growing human population. The manufacture of synthetic nitrogen fertilizer involves intensive emissions of greenhouse gases. The synthetic nitrogen that ends up in biowaste such as animal waste perturbs the nitrogen cycle through significant nitrogen losses in the form of ammonia volatilization, a major human health and environmental hazard. Low-temperature air-plasma treatment of animal waste holds promise for sustainable fertilizer production on farmlands by enabling nitrogen fixation via ionization, forming nitrogen oxyacids. Although the formation of nitrogen oxyacids in plasma treatment of water is well-established, the extent of nitrogen oxyanion enrichment in animal waste and its downstream effects on acidifying the waste remain elusive because many compounds found in complex biowaste media may interfere with absorbed NO<sub>x<\/sub> species. This work aims to establish that plasma treatment of dairy manure can suppress ammonia loss by volatilization via acidification of animal waste while enriching the waste in total nitrogen due to nitrogen retained in ammonia as well as adding nitrogen oxyacids by reacting NO<sub>x<\/sub> with the aqueous slurry. To this end, air-plasma effluent containing NO<sub>x<\/sub> is bubbled through dairy manure, which is then analyzed for changes in the nitrogen oxyanion content and pH. Increasing the plasma treatment time results in more acidic manure, reduced ammonium content in the downstream acid trap, and increased nitrogen oxyanion content, where the yield of nitrogen oxyanion from absorbed NO<sub>x<\/sub> species is approximately 100%. Increased plasma treatment also led to an increase in the total Kjeldahl nitrogen and the total nitrogen. These results indicate that plasma treatment of animal waste can significantly suppress ammonia pollution from animal husbandry facilities such as dairy farms while upcycling animal waste as a rich organic source of nitrogen.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Sustainable Chemistry & Engineering","journal_issue":"7","journal_volume":"12","format":"Medium: X; Size: p. 2621-2631","authors":["Miller, Victor V. [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States]","Clark, Douglas S. [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States] (ORCID:000000031516035X)","Mesbah, Ali [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States] (ORCID:0000000217000600)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","low-temperature plasma","animal waste processing","manure upcycling","nitrogen fixation","green fertilizer"],"article_type":"Published Article","doe_contract_number":"SC0020232","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[{"name":"University of California, Berkeley, CA (United States)"}],"research_orgs":["University of California, Berkeley, CA (United States)"],"journal_issn":"ISSN 2168-0485","other_identifiers":["Journal ID: ISSN 2168-0485"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283990"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283990"}]}, {"osti_id":"2282461","title":"Emergence of the temperature–density relation in the low-density intergalactic medium","report_number":"FERMILAB-PUB-23-688-T; arXiv:2310.15226","doi":"10.1093/mnras/stae401","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society; Journal Volume: 528; Journal Issue: 4","description":"We examine the evolution of the phase diagram of the low-density intergalactic medium during the Epoch of Reionization in simulation boxes with varying reionization histories from the Cosmic Reionization on Computers project. The probability density function (PDF) of gas temperature at fixed density exhibits two clear modes: a warm and a cold temperature mode, corresponding to the gas inside and outside of ionized bubbles. We find that the transition between the two modes is ‘universal’ in the sense that its timing is accurately parametrized by the value of the volume-weighted neutral fraction for any reionization history. This ‘universality’ is more complex than just a reflection of the fact that ionized gas is warm and neutral gas is cold: it holds for the transition at a fixed value of gas density, and gas at different densities transitions from the cold to the warm mode at different values of the neutral fraction, reflecting a non-trivial relationship between the ionization history and the evolving gas density PDF. Furthermore, the ‘emergence’ of the tight temperature–density relation in the warm mode is also approximately ‘universally’ controlled by the volume-weighted neutral fraction for any reionization history. In particular, the ‘emergence’ of the temperature–density relation (as quantified by the rapid decrease in its width) occurs when the neutral fraction is 10<sup>–4<\/sup> ≲ X<sub>HI<\/sub> ≲ 10<sup>–3<\/sup> for any reionization history. Our results indicate that the neutral fraction is a primary quantity controlling the various properties of the temperature–density relation, regardless of reionization history.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"4","journal_volume":"528","format":"Medium: ED; Size: p. 5845-5851","authors":["Wells, Alexandra [Ohio Univ., Athens, OH (United States); Univ. of Michigan, Ann Arbor, MI (United States)] (ORCID:0000000150804582)","Robinson, David [Univ. of Michigan, Ann Arbor, MI (United States)] (ORCID:0000000237516145)","Avestruz, Camille [Univ. of Michigan, Ann Arbor, MI (United States)] (ORCID:0000000188680810)","Gnedin, Nickolay Y. [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States); Univ. of Chicago, IL (United States). Kavli Inst. for Cosmological Physics (KICP)] (ORCID:0000000159254580)"],"subjects":["79 ASTRONOMY AND ASTROPHYSICS","numerical methods","intergalactic medium","dark ages","reionization","first stars"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11359; AC02-06CH11357","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711; oai:inspirehep.net:2714321"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282461"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2282461"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282461"}]}, {"osti_id":"2283993","title":"Energy Principles of Scientific Breakeven in an Inertial Fusion Experiment","report_number":"LLNL-JRNL-849988","doi":"10.1103/PhysRevLett.132.065103","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters Journal Volume: 132 Journal Issue: 6","description":"Fusion “scientific breakeven” (i.e., unity target gain G<sub>target<\/sub>, total fusion energy out > laser energy input) has been achieved for the first time (here, G<sub>target<\/sub> ~ 1.5). This Letter reports on the physics principles of the design changes that led to the first controlled fusion experiment, using laser indirect drive, on the National Ignition Facility to produce target gain greater than unity and exceeded the previously obtained conditions needed for ignition by the Lawson criterion. Key elements of the success came from reducing “coast time” (the time duration between the end of the laser pulse and implosion peak compression) and maximizing the internal energy delivered to the “hot spot” (the yield producing part of the fusion fuel). The link between coast time and maximally efficient conversion of kinetic energy into internal energy is explained. The energetics consequences of asymmetry and hydrodynamic-induced mixing were part of high-yield big radius implosion design experimental and design strategy. Herein, it is shown how asymmetry and mixing consolidate into one key relationship. It is shown that mixing distills into a kinetic energy cost similar to the impact of implosion asymmetry, shifting the threshold for ignition to higher implosion kinetic energy—a factor not normally included in most statements of the generalized Lawson criterion, but the key needed modifications clearly emerge.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-06T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review Letters","journal_issue":"6","journal_volume":"132","format":"Medium: X","authors":["Hurricane, O. A. (ORCID:0000000286005448)","Callahan, D. A. (ORCID:0000000315498916)","Casey, D. T. (ORCID:000000032125677X)","Christopherson, A. R.","Kritcher, A. L. (ORCID:0000000296941088)","Landen, O. L. (ORCID:0000000214998217)","Maclaren, S. A. (ORCID:0000000220222212)","Nora, R. (ORCID:0000000254788820)","Patel, P. K.","Ralph, J.","Schlossberg, D. (ORCID:0000000287139448)","Springer, P. T.","Young, C. V. (ORCID:0000000280757550)","Zylstra, A. B. (ORCID:0000000304897479)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY"],"article_type":"Published Article","doe_contract_number":"AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 0031-9007","other_identifiers":["Journal ID: ISSN 0031-9007; PRLTAO; 065103"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283993"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283993"}]}, {"osti_id":"2311245","title":"Resting restores performance of discharged lithium-metal batteries","report_number":"SAND-2024-01388J","doi":"10.1038/d41586-024-00229-y","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nature (London); Journal Volume: 626; Journal Issue: 7998","description":"In lithium-metal batteries, grains of lithium can become electrically isolated from the anode, lowering battery performance. We state that experiments reveal that rest periods after battery discharge might help to solve this problem.","publication_date":"2024-02-07T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature (London)","journal_issue":"7998","journal_volume":"626","format":"Medium: ED; Size: p. 266-267","authors":["Merrill, Laura C. [Sandia National Laboratory (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000176734519)"],"subjects":["36 MATERIALS SCIENCE","energy"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0028-0836","other_identifiers":["Journal ID: ISSN 0028-0836"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311245"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311245"}]}, {"osti_id":"2323247","title":"Laser-Induced Plasmas of Plutonium Dioxide in a Double-Walled Cell","report_number":"SRNL-STI-2023-00534-REV","doi":"10.1177/00037028241226977","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Spectroscopy; Journal Volume: 78; Journal Issue: 4","description":"<p>\n Plutonium research has been stifled by the significant number of administrative controls and safety procedures, space and instrumentation limitations in radiological gloveboxes, and the potential for personnel and equipment contamination. To address the limited number of spectroscopic studies in Pu-bearing compounds in the current scientific literature, this work presents the use of double-walled cells (DWCs) in “clean” buildings/laboratories as an alternative to research in radiological gloveboxes. This study reports the first laser-induced breakdown spectroscopy (LIBS) experiments of a PuO\n <sub>2<\/sub>\n pellet contained within a DWC, where the formation of elemental (atomic and ionic) species as well as the evolution from elemental to molecular products (Pu\n <sub>x<\/sub>\n O\n <sub>y<\/sub>\n ) was measured. Raman spectroscopy was also used to characterize the surface of the ablated pellet and the particulates deposited on the window of the inner cell. The full width half-maximum of the T\n <sub>2g<\/sub>\n band enabled us to obtain an estimate of the temperature at the pellet surface after the ablation pulse and the particulates based on the crystal lattice disorder. Particulates deposited on the window of the DWC during laser ablation were characterized using scanning electron microscopy, where molten irregular particulates and spheroids were observed. This exciting research conducted in a DWC describes our initial attempts to incorporate LIBS in the arsenal of spectroscopic tools for nuclear forensics applications.\n <\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Society for Applied Spectroscopy","journal_name":"Applied Spectroscopy","journal_issue":"4","journal_volume":"78","format":"Medium: ED; Size: p. 412-422","authors":["Villa-Aleman, Eliel [Savannah River National Laboratory (SRNL), Aiken, SC (United States)]","Kwapis, Emily H. [Univ. of Florida, Gainesville, FL (United States)] (ORCID:0000000198857843)","Foley, Bryan J. [Savannah River National Laboratory (SRNL), Aiken, SC (United States)] (ORCID:000000030570769X)","Shehee, Thomas C. [Savannah River National Laboratory (SRNL), Aiken, SC (United States)]","Dick, Don D. [Savannah River National Laboratory (SRNL), Aiken, SC (United States)] (ORCID:0000000312471240)","Darvin, Jason R. [Savannah River National Laboratory (SRNL), Aiken, SC (United States)] (ORCID:0000000342227388)","Ajo, Henry M. [Savannah River National Laboratory (SRNL), Aiken, SC (United States)] (ORCID:0000000327477661)","Hartig, Kyle C. [Univ. of Florida, Gainesville, FL (United States)] (ORCID:0000000348295955)"],"subjects":["46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY","Plutonium Dioxide: Laser-Induced Breakdown Spectroscopy","Nuclear Forensics","Raman Spectroscopy","Vibrational Spectroscopy","Scanning Electron Microscopy"],"article_type":"Accepted Manuscript","doe_contract_number":"89303321CEM000080; NA0003920; NA0004142; LDRD-2023-00118","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"USDOE Office of Environmental Management (EM)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation","USDOE Laboratory Directed Research and Development (LDRD) Program","USDOE Office of Environmental Management (EM)"],"orgs_research":[{"name":"Savannah River National Laboratory (SRNL), Aiken, SC (United States)"},{"name":"Univ. of Florida, Gainesville, FL (United States)"}],"research_orgs":["Savannah River National Laboratory (SRNL), Aiken, SC (United States)","Univ. of Florida, Gainesville, FL (United States)"],"journal_issn":"ISSN 0003-7028","other_identifiers":["Journal ID: ISSN 0003-7028"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323247"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323247"}]}, {"osti_id":"2280391","title":"Thermal synthesis of electron deficient oxygen species on crystalline IrO\n <sub>2<\/sub>","report_number":"LA-UR-23-33448","doi":"10.1039/D3CY01026K","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Catalysis Science and Technology Journal Volume: 14 Journal Issue: 3","description":"<p>\n μ\n <sub>2<\/sub>\n -O species shown to be active in OER can be thermally produced on crystalline IrO\n <sub>2<\/sub>\n bound to Ir\n <sup>\n IV+\n <italic>δ<\/italic>\n <\/sup>\n without requiring the presence of Ir\n <sup>III<\/sup>\n , which offers a route to higher-performance stable OER catalysts.\n <\/p>","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Catalysis Science and Technology","journal_issue":"3","journal_volume":"14","format":"Medium: X; Size: p. 572-580","authors":["Carbonio, E. A. [Catalysts for Energy, Energy Materials In-situ Laboratory (EMIL), Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, BESSY II, Albert-Einstein-Straße 15, 12489 Berlin, Germany, Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany] (ORCID:0000000329284599)","Sulzmann, F. [Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany]","Teschner, D. [Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany, Department of Heterogeneous Reactions, Max Planck Institute for Chemical Energy Conversion, Stiftstraße 34-36, Mülheim an der Ruhr 45470, Germany]","Velasco-Vélez, J. J. [Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany, Department of Heterogeneous Reactions, Max Planck Institute for Chemical Energy Conversion, Stiftstraße 34-36, Mülheim an der Ruhr 45470, Germany, ALBA Synchrotron Light Source, Cerdanyola del Vallés (Barcelona) 08290, Spain]","Hävecker, M. [Catalysts for Energy, Energy Materials In-situ Laboratory (EMIL), Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, BESSY II, Albert-Einstein-Straße 15, 12489 Berlin, Germany, Department of Heterogeneous Reactions, Max Planck Institute for Chemical Energy Conversion, Stiftstraße 34-36, Mülheim an der Ruhr 45470, Germany]","Gericke, A. Knop [Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany, Department of Heterogeneous Reactions, Max Planck Institute for Chemical Energy Conversion, Stiftstraße 34-36, Mülheim an der Ruhr 45470, Germany]","Schlögl, R. [Catalysts for Energy, Energy Materials In-situ Laboratory (EMIL), Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, BESSY II, Albert-Einstein-Straße 15, 12489 Berlin, Germany, Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany, Department of Heterogeneous Reactions, Max Planck Institute for Chemical Energy Conversion, Stiftstraße 34-36, Mülheim an der Ruhr 45470, Germany]","Jones, T. [Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA]"],"subjects":["Inorganic and Physical Chemistry"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 2044-4753","other_identifiers":["Journal ID: ISSN 2044-4753; CSTAGD"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2280391"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2280391"}]}, {"osti_id":"2320276","title":"Upscaling Soil Organic Carbon Measurements at the Continental Scale Using Multivariate Clustering Analysis and Machine Learning","doi":"10.1029/2023JG007702","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Geophysical Research. Biogeosciences Journal Volume: 129 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Estimates of soil organic carbon (SOC) stocks are essential for many environmental applications. However, significant inconsistencies exist in SOC stock estimates for the U.S. across current SOC maps. We propose a framework that combines unsupervised multivariate geographic clustering (MGC) and supervised Random Forests regression, improving SOC maps by capturing heterogeneous relationships with SOC drivers. We first used MGC to divide the U.S. into 20 SOC regions based on the similarity of covariates (soil biogeochemical, bioclimatic, biological, and physiographic variables). Subsequently, separate Random Forests models were trained for each SOC region, utilizing environmental covariates and SOC observations. Our estimated SOC stocks for the U.S. (52.6 ± 3.2 Pg for 0–30 cm and 108.3 ± 8.2 Pg for 0–100 cm depth) were within the range estimated by existing products like Harmonized World Soil Database, HWSD (46.7 Pg for 0–30 cm and 90.7 Pg for 0–100 cm depth) and SoilGrids 2.0 (45.7 Pg for 0–30 cm and 133.0 Pg for 0–100 cm depth). However, independent validation with soil profile data from the National Ecological Observatory Network showed that our approach (\n <italic>R<\/italic>\n <sup>2<\/sup>\n  = 0.51) outperformed the estimates obtained from Harmonized World Soil Database (\n <italic>R<\/italic>\n <sup>2<\/sup>\n  = 0.23) and SoilGrids 2.0 (\n <italic>R<\/italic>\n <sup>2<\/sup>\n  = 0.39) for the topsoil (0–30 cm). Uncertainty analysis (e.g., low representativeness and high coefficients of variation) identified regions requiring more measurements, such as Alaska and the deserts of the U.S. Southwest. Our approach effectively captures the heterogeneous relationships between widely available predictors and the current SOC baseline across regions, offering reliable SOC estimates at 1 km resolution for benchmarking Earth system models.\n <\/p>","publication_date":"2024-02-04T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Geophysical Research. Biogeosciences","journal_issue":"2","journal_volume":"129","format":"Medium: X","authors":["Wang, Zhuonan [Department of Environmental Sciences Emory University Atlanta GA USA] (ORCID:0000000289457247)","Kumar, Jitendra [Environmental Sciences Division Oak Ridge National Laboratory Oak Ridge TN USA] (ORCID:0000000201590546)","Weintraub‐Leff, Samantha R. [National Ecological Observatory Network Battelle Boulder CO USA] (ORCID:0000000347895086)","Todd‐Brown, Katherine [Department of Environmental Engineering Science University of Florida Gainesville FL USA] (ORCID:0000000231098130)","Mishra, Umakant [Computational Biology &, Biophysics Sandia National Laboratories Livermore CA USA]","Sihi, Debjani [Department of Environmental Sciences Emory University Atlanta GA USA] (ORCID:0000000255138862)"],"subjects":["58 GEOSCIENCES"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725; DEB-2106137; DEB-2106138","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER). Earth & Environmental Systems Science (EESS)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Biological and Environmental Research (BER). Earth & Environmental Systems Science (EESS)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2169-8953","other_identifiers":["Journal ID: ISSN 2169-8953; e2023JG007702"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320276"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320276"}]}, {"osti_id":"2316141","title":"Enabling thermal energy storage in structural cementitious composites with a novel phase change material microcapsule featuring an inorganic shell and a bio-inspired silica coating","report_number":"NREL/JA-5500-88782","doi":"10.1016/j.est.2024.110677","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Energy Storage; Journal Volume: 83","description":"Phase change material (PCM) microcapsules offer a promising approach for integrating PCM into building materials for efficient thermal energy storage. Here, this study presents the development of a novel PCM microcapsule specifically designed for incorporation into cementitious materials. The microcapsule consists of a low-cost PCM core derived from vegetable oil by-products and a durable inorganic shell made from cenosphere, a hollow fly ash generated from coal burning power plants. A novel process is developed to apply a silica coating to these cenosphere-based PCM microcapsules (CPCM), resulting in bioinspired-silica-coated CPCM microcapsules (BCPCM). This coating process draws inspiration from marine microorganism-based silica production and utilizes low-cost sodium silicate as a precursor, enabling eco-friendly and cost-effective manufacturing at ambient temperature and mild pH conditions. The morphology, chemical stability, and thermal properties of the BCPCM along with its thermo-mechanical performance in cementitious composites were comprehensively analyzed. Experimental results demonstrate successful silica deposition on BCPCM, leading to enhanced latent heat properties of the produced BCPCM. With the silica coating, BCPCM exhibits a 50 °C delay in thermal decomposition compared to CPCM, enhancing fire resistance and preventing premature PCM leakage of the microcapsule. The bioinspired silica coating effectively restores over 10% of the strength loss for each percent increase in CPCM incorporated into the mortar. The thermal performance experiments reveal that increasing the BCPCM content reduces temperature peaks and rates of temperature increase, indicating an improved capacity for thermal energy storage. This new PCM microcapsule provides a cost-effective solution to integrate thermal energy storage to cementitious material, as evidenced that over 30% of aggregates (in volume) can be replaced by the microcapsule without a drastic loss of strength.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Elsevier","journal_name":"Journal of Energy Storage","journal_volume":"83","format":"Medium: ED; Size: Article No. 110677","authors":["Ismail, Abdulmalik [Univ. of Alabama, Tuscaloosa, AL (United States)]","Bahmani, Maysam [Univ. of Alabama, Tuscaloosa, AL (United States)]","Wang, Xiaodong [Univ. of Alabama, Tuscaloosa, AL (United States)]","Aday, Anastasia [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:0000000156282199)","Odukomaiya, Adewale [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:0000000295609964)","Wang, Jialai [Univ. of Alabama, Tuscaloosa, AL (United States)]"],"subjects":["32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION","25 ENERGY STORAGE","bio-inspired","cementitious materials","microencapsulation","phase change material","thermal energy storage"],"article_type":"Accepted Manuscript","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Building Technologies Office"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Building Technologies Office","National Science Foundation (NSF)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 2352-152X","other_identifiers":["Journal ID: ISSN 2352-152X; MainId:89561;UUID:cec9e780-e25f-4b49-8899-0aa514d4b575;MainAdminId:71973"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316141"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316141"}]}, {"osti_id":"2323448","title":"Effect of boron concentration on local structure and spontaneous polarization in AlBN thin films","doi":"10.1063/5.0179942","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: APL Materials; Journal Volume: 12; Journal Issue: 2","description":"The discovery of ferroelectricity in polar wurtzite-based ternary materials, such as Al<sub>1–x<\/sub>B<sub>x<\/sub>N, has attracted attention due to their compatibility with complementary metal–oxide–semiconductor processes and potential use in integrated non-volatile memory devices. However, the origin of ferroelectricity and the fundamental control of the polarization switching in these materials are still under intensive investigation but appear to be related to local disorder induced from the alloying. In this work, we report the effect of boron alloying on the local structure of Al<sub>1–x<\/sub>B<sub>x<\/sub>N films deposited by magnetron sputtering. Our results reveal a diminished crystalline order as a function of boron concentration, accompanied by a reduction in the spontaneous polarization. The film disorder is primarily associated with the dissimilar bond lengths between Al–N and B–N and the formation of threading dislocations induced by B incorporation in the structure.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"APL Materials","journal_issue":"2","journal_volume":"12","format":"Medium: ED; Size: Article No. 021105","authors":["Calderon V., S. [Carnegie Mellon University, Pittsburgh, PA (United States)] (ORCID:0000000236046356)","Hayden, John [Pennsylvania State University, University Park, PA (United States)] (ORCID:0000000200550198)","Delower, M. [Pennsylvania State University, University Park, PA (United States)]","Maria, Jon-Paul [Pennsylvania State University, University Park, PA (United States)]","Dickey, Elizabeth C. [Carnegie Mellon University, Pittsburgh, PA (United States)] (ORCID:0000000340057872)"],"subjects":["Density functional theory","Ferroelectricity","C-MOS","Crystallographic defects","Crystal structure","Magnetron sputtering","Thin films","Transmission electron microscopy","Nonvolatile memory"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0021118; MCF-677785","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"Carnegie Mellon University"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","Carnegie Mellon University"],"orgs_research":[{"name":"Pennsylvania State Univ., University Park, PA (United States)"}],"research_orgs":["Pennsylvania State Univ., University Park, PA (United States)"],"journal_issn":"ISSN 2166-532X","other_identifiers":["Journal ID: ISSN 2166-532X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323448"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2323448"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323448"}]}, {"osti_id":"2284036","title":"Kleinian black holes","doi":"10.1103/PhysRevD.109.044007","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D. Journal Volume: 109 Journal Issue: 4","description":"We prove there is a unique vacuum solution in split-signature spacetimes with Kleinian $SO(2, 1)$ spherical symmetry. We extend our analysis to accommodate a positive or negative cosmological constant and we prove the Kleinian spherically symmetric solutions to Einstein’s equation are locally isomorphic to the split-signature analogs of Schwarzschild–(anti)-de Sitter or Nariai spacetimes. Our analysis provides a Kleinian extension of Birkhoff’s theorem to metrics with split signature. Axisymmetric vacuum solutions are also considered, including (2,2) signature formulations of the Kerr and Taub-Newman-Unti-Tamburino metrics.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. D.","journal_issue":"4","journal_volume":"109","format":"Medium: X","authors":["Easson, Damien A. (ORCID:0000000259634142)","Pezzelle, Max W. (ORCID:0009000966427748)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","general relativity","quantum gravity"],"article_type":"Published Article","contributing_org":"Brown University","doe_contract_number":"SC0019470","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Arizona State Univ., Tempe, AZ (United States)"}],"research_orgs":["Arizona State Univ., Tempe, AZ (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; PRVDAQ; 044007"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284036"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284036"}]}, {"osti_id":"2317773","title":"EHR-BERT: A BERT-based model for effective anomaly detection in electronic health records","doi":"10.1016/j.jbi.2024.104605","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Biomedical Informatics; Journal Volume: 150; Journal Issue: 1","description":"Objective: Physicians and clinicians rely on data contained in electronic health records (EHRs), as recorded by health information technology (HIT), to make informed decisions about their patients. The reliability of HIT systems in this regard is critical to patient safety. Consequently, better tools are needed to monitor the performance of HIT systems for potential hazards that could compromise the collected EHRs, which in turn could affect patient safety. In this paper, we propose a new framework for detecting anomalies in EHRs using sequence of clinical events. This new framework, EHR-Bidirectional Encoder Representations from Transformers (BERT), is motivated by the gaps in the existing deep-learning related methods, including high false negatives, sub-optimal accuracy, higher computational cost, and the risk of information loss. EHR-BERT is an innovative framework rooted in the BERT architecture, meticulously tailored to navigate the hurdles in the contemporary BERT method; thus, enhancing anomaly detection in EHRs for healthcare applications.Methods: The EHR-BERT framework was designed using the Sequential Masked Token Prediction (SMTP) method. This approach treats EHRs as natural language sentences and iteratively masks input tokens during both training and prediction stages. This method facilitates the learning of EHR sequence patterns in both directions for each event and identifies anomalies based on deviations from the normal execution models trained on EHR sequences.Results: Extensive experiments on large EHR datasets across various medical domains demonstrate that EHR-BERT markedly improves upon existing models. It significantly reduces the number of false positives and enhances the detection rate, thus bolstering the reliability of anomaly detection in electronic health records. This improvement is attributed to the model’s ability to minimize information loss and maximize data utilization effectively.Conclusion: EHR-BERT showcases immense potential in decreasing medical errors related to anomalous clinical events, positioning itself as an indispensable asset for enhancing patient safety and the overall standard of healthcare services. The framework effectively overcomes the drawbacks of earlier models, making it a promising solution for healthcare professionals to ensure the reliability and quality of health data.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Elsevier","journal_name":"Journal of Biomedical Informatics","journal_issue":"1","journal_volume":"150","format":"Medium: ED; Size: Article No. 104605","authors":["Niu, Haoran [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000155228297)","Omitaomu, Olufemi A. [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000230787196)","Langston, Michael A. [Univ. of Tennessee, Knoxville, TN (United States)] (ORCID:0000000159455796)","Olama, Mohammad [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Ozmen, Ozgur [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Klasky, Hilda B. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000172352521)","Laurio, Angela [Department of Veterans Affairs, Washington, DC (United States)] (ORCID:0000000341425841)","Ward, Merry [Department of Veterans Affairs, Washington, DC (United States)]","Nebeker, Jonathan [Department of Veterans Affairs, Washington, DC (United States)] (ORCID:0000000153555008)"],"subjects":["Electronic health records","Event sequence","Anomaly detection","Deep learning","NLP","BERT"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"}],"sponsor_orgs":["USDOE Office of Science (SC)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Compute and Data Environment for Science (CADES)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Compute and Data Environment for Science (CADES)"],"journal_issn":"ISSN 1532-0464","other_identifiers":["Journal ID: ISSN 1532-0464"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317773"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2317773"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317773"}]}, {"osti_id":"2311360","title":"Spray process of multi-component gasoline surrogate fuel under ECN Spray G conditions","report_number":"SAND-2024-02036J","doi":"10.1016/j.ijmultiphaseflow.2024.104753","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: International Journal of Multiphase Flow; Journal Volume: 174","description":"As modern gasoline direct injection (GDI) engines utilize sophisticated injection strategies, a detailed understanding of the air-fuel mixing process is crucial to further improvements in engine emission and fuel economy. In this study, a comprehensive evaluation of the spray process of single-component iso-octane (IC8) and multi-component gasoline surrogate E00 (36 % n-pentane, 46 % iso-octane, and 18 % n-undecane, by volume) fuels was conducted using an Engine Combustion Network (ECN) Spray G injector. High-speed extinction, schlieren, and microscopy imaging campaigns were carried out under engine-like ambient conditions in a spray vessel. Experimental results including liquid/vapor penetration, local liquid volume fraction, droplet size, and projected liquid film on the nozzle tip were compared under ECN G1 (573 K, 3.5 kg/m<sup>3<\/sup>), G2 (333 K, 0.5 kg/m<sup>3<\/sup>), and G3 (333 K, 1.01 kg/m<sup>3<\/sup>) conditions. In addition to the experiments, preferential evaporation process of the E00 fuel was elucidated by Large–Eddy Simulations (LES). The three-dimensional liquid volume fraction measurement enabled by the computed tomographic reconstruction showed substantial plume collapse for E00 under the G2 and G3 conditions having wider plume growth and plume-to-plume interaction due to the fuel high vapor pressure. Here, the CFD simulation of E00 showed an inhomogeneity in the way fuel components vaporized, with more volatile components carried downstream in the spray after the end of injection. The high vapor pressure of E00 also results in ~4 μm smaller average droplet diameter than IC8, reflecting a higher rate of initial vaporization even though the final boiling point temperature is higher. Consistent with high vapor pressure, E00 had a wider plume cone angle and enhanced interaction with the wall to cover the entire surface of the nozzle tip in a film. However, the liquid fuel underwent faster evaporation, so the final projected tip wetting area was smaller than the IC8 under the flash-boiling condition.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"Elsevier","journal_name":"International Journal of Multiphase Flow","journal_volume":"174","format":"Medium: ED; Size: Article No. 104753","authors":["Hwang, Joonsik [Mississippi State Univ., Mississippi State, MS (United States)]","Karathanassis, Ioannis K. [City University of London (United Kingdon)] (ORCID:0000000190252866)","Koukouvinis, Phoevos [Cyprus Univ. of Technology, Limassol (Cyprus)]","Nguyen, Tuan [Sandia National Lab. (SNL-CA), Livermore, CA (United States)] (ORCID:0000000285921655)","Tagliante, Fabien [Sandia National Lab. (SNL-CA), Livermore, CA (United States)]","Pickett, Lyle M. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)] (ORCID:0000000209257027)","Sforzo, Brandon A. [Argonne National Laboratory (ANL), Argonne, IL (United States)]","Powell, Christopher F. [Argonne National Laboratory (ANL), Argonne, IL (United States)]"],"subjects":["33 ADVANCED PROPULSION SYSTEMS","Gasoline direct injection (GDI)","Multi-component surrogate","Spray","Plume collapse","Preferential evaporation"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525; 794831; 748784","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"European Union (EU)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)","USDOE National Nuclear Security Administration (NNSA)","European Union (EU)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-CA), Livermore, CA (United States)"}],"research_orgs":["Sandia National Lab. (SNL-CA), Livermore, CA (United States)"],"journal_issn":"ISSN 0301-9322","other_identifiers":["Journal ID: ISSN 0301-9322"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311360"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311360"}]}, {"osti_id":"2284018","title":"Developing Cheap but Useful Machine Learning-Based Models for Investigating High-Entropy Alloy Catalysts","doi":"10.1021/acs.langmuir.3c03401","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Langmuir","description":"This work aims to address the challenge of developing interpretable ML-based models when access to large-scale computational resources is limited. Using CoMoFeNiCu high-entropy alloy catalysts as an example, we present a cost-effective workflow that synergistically combines descriptor-based approaches, machine learningbased force fields, and low-cost density functional theory (DFT) calculations to predict high-quality adsorption energies for H, N, and NHx (x = 1, 2, and 3) adsorbates. This is achieved using three specific modifications to typical DFT workflows including: (1) using a sequential optimization protocol, (2) developing a new geometry-based descriptor, and (3) repurposing the already-available low-cost DFT optimization trajectories to develop a ML-FF. Taken together, this study illustrates how cost-effective DFT calculations and appropriately designed descriptors can be used to develop cheap but useful models for predicting high-quality adsorption energies at significantly lower computational costs. We anticipate that this resourceefficient philosophy may be broadly relevant to the larger surface catalysis community.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"American Chemical Society","journal_name":"Langmuir","format":"Medium: X","authors":["Sun, Chenghan [Department of Chemical Engineering, University of California, Davis, California 95616, United States]","Goel, Rajat [Department of Chemical Engineering, University of California, Davis, California 95616, United States]","Kulkarni, Ambarish R. [Department of Chemical Engineering, University of California, Davis, California 95616, United States] (ORCID:0000000198348264)"],"subjects":["36 MATERIALS SCIENCE","Adsorption","Amorphous materials","Density functional theory","Optimization","Screening assays"],"article_type":"Published Article","doe_contract_number":"SC0020320; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"],"orgs_research":[{"name":"Univ. of California, Davis, CA (United States)"}],"research_orgs":["Univ. of California, Davis, CA (United States)"],"journal_issn":"ISSN 0743-7463","other_identifiers":["Journal ID: ISSN 0743-7463; acs.langmuir.3c03401"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284018"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284018"}]}, {"osti_id":"2283987","title":"High-gradient performance of a prototype accelerator cavity for a 3 GeV proton radiography booster","report_number":"LA-UR-23-30174","doi":"10.1103/PhysRevAccelBeams.27.021001","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Accelerators and Beams Journal Volume: 27 Journal Issue: 2","description":"This paper reports the design, fabrication, and results of the high-gradient conditioning and testing for a two-cell, $π$-mode, standing wave normal-conducting prototype booster cavity for the proposed 3 GeV proton linac upgrade at Los Alamos Neutron Science Center. Increasing the energy of proton beam from the existing 800 MeV to 3 GeV will improve resolution of the proton radiography by up to 10 times. The proposed energy boost can be achieved with a compact normal-conducting high-gradient radio-frequency (rf) linac section. The C-band section of the booster linac was designed with optimized-shaped copper accelerator cavities with distributed rf coupling. A short two-cell test prototype structure was designed for the frequency of 5.712 GHz, fabricated, and tested at the C-band Engineering Research Test Facility in New Mexico (CERF-NM) at Los Alamos National Laboratory. The maximum klystron power coupled into the test structure was 8.3 MW with 1$μs$ pulse length and 100 Hz repetition rate. The breakdown probabilities were recorded as functions of the accelerating gradient and peak surface fields. Operation of the test cavity at accelerating gradients of up to 100 MV / m was demonstrated.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-06T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review Accelerators and Beams","journal_issue":"2","journal_volume":"27","format":"Medium: X","authors":["Zuboraj, Muhammed (ORCID:0000000187290140)","Batygin, Yuri K. (ORCID:0000000194226112)","Kurennoy, Sergey S. (ORCID:0000000328549647)","Olivas, Eric R.","Simakov, Evgenya I. (ORCID:0000000274831152)","Xu, Haoran"],"subjects":["43 PARTICLE ACCELERATORS","Accelerator Design","Technology, and Operations","High-Gradient","pRad","Cavity","C-band","Breakdown","Proton Radiography"],"article_type":"Published Article","doe_contract_number":"20210048ER; 89233218CNA000001","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 2469-9888","other_identifiers":["Journal ID: ISSN 2469-9888; PRABCJ; 021001"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283987"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283987"}]}, {"osti_id":"2284038","title":"Quantum critical behavior of the hyperkagome magnet\n <math>\n <msub>\n <mi mathvariant=\'normal\'>Mn<\/mi>\n <mn>3<\/mn>\n <\/msub>\n <mi>CoSi<\/mi>\n <\/math>","doi":"10.1103/PhysRevResearch.6.013144","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Research Journal Volume: 6 Journal Issue: 1","description":"β-Mn-type family alloys Mn<sub>3<\/sub> TX (T = Co, Rh, and Ir; X = Si and Ge) have a three-dimensional antiferromagnetic (AF) corner-shared triangular network, i.e., the hyperkagome lattice. The antiferromagnet Mn<sub>3<\/sub> RhSi shows magnetic short-range order over a wide temperature range of approximately 500 K above the Néel temperature T<sub>N<\/sub> of 190 K. In this family of compounds, as the lattice parameter decreases, the long-range magnetic ordering temperature decreases. Mn<sub>3<\/sub> CoSi has the smallest lattice parameter and the lowest T<sub>N<\/sub> in the family. The quantum critical point (QCP) from AF to the quantum paramagnetic state is expected near a cubic lattice parameter of 6.15 Å. Although the Néel temperature of Mn<sub>3<\/sub> CoSi is only 140 K, the emergence of the quantum critical behavior in Mn3 CoSi is discussed. We study how the magnetic short-range order appears in Mn<sub>3<\/sub> CoSi by using neutron scattering, μ SR, and bulk characterization such as specific heat capacity. According to the results, the neutron scattering intensity of the magnetic short-range order in Mn<sub>3<\/sub> CoSi does not change much at low temperatures from that of Mn<sub>3<\/sub> RhSi , although the μ SR short-range order temperature of Mn<sub>3<\/sub> CoSi is largely suppressed to 240 K from that of Mn<sub>3<\/sub> RhSi . Correspondingly, the volume fraction of the magnetic short-range order regions, as shown by the initial asymmetry drop ratio of μ SR above T<sub>N<\/sub>, also becomes small. Instead, the electronic-specific heat coefficient γ of Mn<sub>3<\/sub> CoSi is the largest in this Mn<sub>3<\/sub>T Si system, possibly due to the low-energy spin fluctuation near the quantum critical point.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-06T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review Research","journal_issue":"1","journal_volume":"6","format":"Medium: X","authors":["Yamauchi, Hiroki (ORCID:0000000252548364)","Sari, Dita Puspita (ORCID:0000000293091970)","Yasui, Yukio (ORCID:0009000258082427)","Sakakura, Terutoshi","Kimura, Hiroyuki","Nakao, Akiko","Ohhara, Takashi","Honda, Takashi (ORCID:0000000341218957)","Kodama, Katsuaki","Igawa, Naoki","Ikeda, Kazutaka","Iida, Kazuki (ORCID:0000000199899965)","Ueta, Daichi (ORCID:0000000166172356)","Yokoo, Tetsuya","Frontzek, Matthias D.","Chi, Songxue","Fernandez-Baca, Jaime A.","Kojima, Kenji M.","Arseneau, Donald","Morris, Gerald","Hitti, Bassam","Cai, Yipeng","Berlie, Adam","Watanabe, Isao (ORCID:0000000347228654)","Hsu, Pai-Tse","Chen, Yu-Sheng","Lee, Min Kai","Hall, Amelia Elisabeth","Balakrishnan, Geetha (ORCID:0000000258901149)","Chang, Lieh-Jeng (ORCID:0000000216498670)","Shamoto, Shin-ichi (ORCID:0000000154969640)"],"subjects":["71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2643-1564","other_identifiers":["Journal ID: ISSN 2643-1564; PPRHAI; 013144"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284038"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284038"}]}, {"osti_id":"2311096","title":"Open Hardware Solutions in Quantum Technology","doi":"10.48550/arXiv.2309.17233","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: APL Quantum","description":"Quantum technologies such as communications, computing, and sensing offer vast opportuni- ties for advanced research and development. While an open-source ethos currently exists within some quantum technologies, especially in quantum computer programming, we argue that there are additional advantages in developing open quantum hardware (OQH). Open quantum hardware encompasses open-source software for the control of quantum devices in labs, blueprints and open- source toolkits for chip design and other hardware components, as well as openly-accessible testbeds and facilities that allow cloud-access to a wider scientific community. We provide an overview of current projects in the OQH ecosystem, identify gaps, and make recommendations on how to close them today. More open quantum hardware would accelerate technology transfer to and growth of the quantum industry and increase accessibility in science.","publication_date":"2024-04-01T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","journal_name":"APL Quantum","format":"Medium: ED","authors":["Shammah, Nathan [Unitary Fund, Walnut, CA (United States)] (ORCID:0000000287753667)","Saha Roy, Anurag [Qruise GmbH, 66113, Saarbruecken, Germany]","Almudever, Carmen G. [Technical University of Valencia, Spain]","Bourdeauducq, Sébastien [M-Labs Limited, North Point, Hong Kong]","Butko, Anastasiia [pplied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA]","Cancelo, Gustavo [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)]","Clark, Susan M. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)]","Heinsoo, Johannes [QM Quantum Computers, Espoo 02150, Finland]","Henriet, Loïc [PASQAL, 7 rue Leonard de Vinci, 91300 Massy]","Huang, Gang [ccelerator Technology and Applied Physics Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA]","Jurczak, Christophe [Quantonation, 75010 Paris, France]","Kotilahti, Janne [IQM Quantum Computers, Espoo 02150, Finland]","Landra, Alessandro [IQM Quantum Computers, Espoo 02150, Finland]","LaRose, Ryan [Michigan State Univ., East Lansing, MI (United States). Dept. of Physics and Astronomy]","Mari, Andrea [Unitary Fund, Walnut, CA (United States)]","Nowrouzi, Kasra [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]","Ockeloen-Korppi, Caspar [IQM Quantum Computers, Espoo 02150, Finland]","Prawiroatmodjo, Guen [Microsoft Corporation, Redmond, WA (United States)]","Siddiqi, Irfan [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]","Zeng, William J. [Unitary Fund, Walnut, CA (United States); Quantonation, 75010 Paris, France]"],"subjects":["71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0020266","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"],"orgs_research":[{"name":"Unitary Fund, Walnut, CA (United States)"}],"research_orgs":["Unitary Fund, Walnut, CA (United States)"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311096"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311096"}]}, {"osti_id":"2283900","title":"Radio Frequency Properties of a 3D Printed Klystron Circuit","doi":"10.3390/instruments1010000","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Instruments","description":"The manufacturing of active RF devices like klystrons is dominated by expensive and\r\ntime-consuming cycles of machining and brazing. In this article, we characterize the RF properties of\r\nX-band klystron cavities and an integrated circuit manufactured with a novel additive manufacturing\r\nprocess. Parts are 3D printed in 316 L stainless steel with direct metal laser sintering, electroplated in\r\ncopper, and brazed in one simple braze cycle. Stand-alone test cavities and integrated circuit cavities\r\nwere measured throughout the manufacturing process. The un-tuned cavity frequency varies by less\r\nthan 5% of the intended frequency, and Q factors reach above 1200. A tuning study was performed,\r\nand unoptimized tuning pins achieved a tuning range of 138 MHz without compromising Q. Klystron\r\nsystem performance was simulated with as-built cavity parameters and realistic tuning. Together,\r\nthese results show promise that this process can be used to cheaply and quickly manufacture a new\r\ngeneration of highly integrated high power vacuum devices.","publication_date":"2024-04-01T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","journal_name":"Instruments","format":"Medium: ED","authors":["Emilio, Nanni (ORCID:0000000219000778)"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-76SF00515","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"SLAC, Stanford University"}],"research_orgs":["SLAC, Stanford University"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283900"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283900"}]}, {"osti_id":"1992866","title":"PRODUCTION OF GLASS-TO-METAL SEALS USING ADDITIVE MANUFACTURING TECHNIQUES","report_number":"NSC-614-5480","product_type":"Thesis/Dissertation","language":"English","country_publication":"United States","description":"Glass-to-metal (GtM) seals are hermetic barriers between glass and metal components, often used in the electronic and vacuum industries. Creating the seals traditionally requires heating all the components to the glass melting temperature, where the glass will flow and bond to the metal. Due to the manufacturing constraints of the individual components and sealing conditions there are geometric and material restrictions. Additive manufacturing techniques were used to make GtM seals to reduce these restrictions.\r\nHermetic, single pin seals were produced using printed metal shells, by selective laser melting (SLM), and digital light processing (DLP) printed glass preforms. Glass preforms were printed with photosensitive resin mixed with a silicate sealing glass powder in a 1:2 weight ratio. Thermal analysis, TGA/DSC, and screening experiments were used to determine an organic removal schedule. Video techniques determined a sintering schedule by producing a densification curve at different isothermal holds which were fit with a viscous sintering model.\r\nSingle pin seals were also produced use a laser assisted manufacturing (LAM) process as an alternative to the conventional furnace sealing process. A Nd:YAG laser was focused on a solid glass preform, heating the glass to form the glass-metal bond. The sealing glass was doped with a transition metal oxide, Fe2O3 or CuO, to increase absorption of the laser wavelength. The interface of hermetic LAM seals were analyzed using electron microscopy, compared to conventional prepared seals, finding a reduction of interfacial morphologies.","publication_date":"2024-04-01T00:00:00Z","entry_date":"2023-08-21T00:00:00Z","format":"Medium: ED","authors":["Read, Aaron Reece [Kansas City National Security Campus (KCNSC), Kansas City, MO (United States)]"],"doe_contract_number":"DE-NA0002839","subjects":[],"orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Kansas City Nuclear Security Campus (KCNSC), Kansas City, MO (United States)"}],"research_orgs":["Kansas City Nuclear Security Campus (KCNSC), Kansas City, MO (United States)"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/1992866"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/1992866"}]}, {"osti_id":"2284012","title":"Reactive transport modeling of organic carbon degradation in marine methane hydrate systems","doi":"10.1038/s41598-024-52957-w","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Scientific Reports Journal Volume: 14 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Natural methane hydrate has often been observed in sand layers that contain no particulate organic carbon (POC), but are surrounded by organic-rich, fine-grained marine muds. In this paper, we develop a reactive transport model (RTM) of a microbially-mediated set of POC degradation reactions, including hydrolysis of POC driven by extracellular enzymes, fermentation of the resulting high-molecular weight dissolved organic carbon (HMW-DOC), and methanogenesis that consumes low-molecular weight dissolved organic carbon (LMW-DOC). These processes are mediated by two groups of microbes, fermenters and methanogens that are heterogeneously distributed in different lithologies, with the largest numbers of microbes in the large pores of coarse-grained layers. We find that the RTM can reproduce methane hydrate occurrences observed in two different geological environments, at Walker Ridge Site 313-H (Gulf of Mexico) and IODP Site U1325 (Cascadia Margin). We also find that microbes can degrade POC even if they are physically separated, as extracellular enzymes and DOC can diffuse away from where they are produced by microbes. Microbial activity is highest at relatively early times after burial at shallow depths and near lithological boundaries, where concentration gradients transport solutes to intervals that contain the most microbes.<\/p>","publication_date":"2024-02-03T00:00:00Z","entry_date":"2024-02-06T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: X","authors":["Wei, Li","Malinverno, Alberto","Colwell, Frederick","Goldberg, David S."],"article_type":"Published Article","doe_contract_number":"FE0013919","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; 2837; PII: 52957"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284012"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284012"}]}, {"osti_id":"2284025","title":"Interfacial Electrochemical Lithiation and Dissolution Mechanisms at a Sulfurized Polyacrylonitrile Cathode Surface","doi":"10.1021/acsenergylett.3c02757","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Energy Letters Journal Volume: 9 Journal Issue: 3","description":"Advances in sulfurized-polyacrylonitrile (SPAN)- based cathode materials promise safer and more efficient lithium–sulfur (Li-S) battery performance. To elucidate electrolyte–cathode interfacial electrochemistry and polysulfide (PS) dissolution, we emulate discharge SPAN reactions via ab initio molecular dynamics (AIMD) simulations. Plausible structures and their lithiation profiles are cross-validated via Raman/IR spectroscopy and density functional theory (DFT). Lithium bis(fluorosulfonyl)imide (LiFSI) plays versatile roles in the Li-SPAN cell electrochemistry, primarily as the major source in forming the cathode–electrolyte interphase (CEI), further verified via X-ray photoelectron spectroscopy and AIMD. Besides being a charge carrier and CEI composer, LiFSI mediates the PS generation processes in SPAN electrochemical lithiation. Analysis of AIMD trajectories during progressive lithiation reveals that, compared to carbonates, ether solvents enable stronger solvation and chemical stabilization for both salt and SPAN structures. Differentiated CEI formation and electrochemical lithiation decomposition pathways and products are profoundly associated with the intrinsic nature of lithium bonding with oxygen and sulfur.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"American Chemical Society","journal_name":"ACS Energy Letters","journal_issue":"3","journal_volume":"9","format":"Medium: X; Size: p. 810-818","authors":["Kuai, Dacheng [Department of Chemical Engineering, Texas A&M University, College Station, Texas 77843, United States, Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States]","Wang, Shen [Department of Nanoengineering, University of California, San Diego, La Jolla, California 92093, United States]","Perez-Beltran, Saul [Department of Chemical Engineering, Texas A&M University, College Station, Texas 77843, United States]","Yu, Sicen [Department of Nanoengineering, University of California, San Diego, La Jolla, California 92093, United States]","Real, Gerard A. [Department of Chemical Engineering, Texas A&M University, College Station, Texas 77843, United States]","Liu, Ping [Department of Nanoengineering, University of California, San Diego, La Jolla, California 92093, United States, Materials Science and Engineering Program, University of California, San Diego, La Jolla, California 92093, United States]","Balbuena, Perla B. [Department of Chemical Engineering, Texas A&M University, College Station, Texas 77843, United States, Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States, Department of Materials Science and Engineering, Texas A&M University, College Station, Texas 77843, United States] (ORCID:0000000223583910)"],"subjects":["Electrolytes","Lithiation","Solvation","Solvents","Sulfur"],"article_type":"Published Article","doe_contract_number":"AC05-76RL01830; EE0007764; PNNL-595241; CHE-1338173","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Texas A & M Univ., College Station, TX (United States)"}],"research_orgs":["Texas A & M Univ., College Station, TX (United States)"],"journal_issn":"ISSN 2380-8195","other_identifiers":["Journal ID: ISSN 2380-8195"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284025"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284025"}]}, {"osti_id":"2284006","title":"Aerosol‐Correlated Cloud Activation for Clean Conditions in the Tropical Atlantic Boundary Layer During LASIC","doi":"10.1029/2023GL105798","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Geophysical Research Letters Journal Volume: 51 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>Aerosol measurements during the DOE ARM Layered Atlantic Smoke Interactions with Clouds (LASIC) campaign were used to quantify the differences between clean and smoky cloud condensation nuclei (CCN) budgets. Accumulation‐mode particles accounted for ∼70% of CCN at supersaturations <0.3% in clean and smoky conditions. Aitken‐mode particles contributed <20% and sea‐spray‐mode particles <10% at supersaturations <0.3%, but at supersaturations >0.3% Aitken particles contributions increased to 30%–40% of clean CCN. For clean conditions, the Hoppel minimum diameter was correlated to the accumulation‐mode number concentration, indicating aerosol‐correlated cloud activation was controlling the lower diameter cutoff for which particles serve as CCN. For smoky conditions, the contributions of Aitken particles increase and the correlation of cloud activation to accumulation‐mode particles is masked by the lower‐hygroscopicity smoke. These results provide the first multi‐month in situ quantitative constraints on the role of aerosol number size distributions in controlling cloud activation in the tropical Atlantic boundary layer.<\/p>","publication_date":"2024-02-03T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Geophysical Research Letters","journal_issue":"3","journal_volume":"51","format":"Medium: X","authors":["Dedrick, Jeramy L. [Scripps Institution of Oceanography University of California San Diego La Jolla CA USA] (ORCID:0000000335690235)","Russell, Lynn M. [Scripps Institution of Oceanography University of California San Diego La Jolla CA USA] (ORCID:0000000261082375)","Sedlacek, III, Arthur J. [Environmental and Climate Sciences Department Brookhaven National Laboratory Upton NY USA] (ORCID:0000000195953653)","Kuang, Chongai [Environmental and Climate Sciences Department Brookhaven National Laboratory Upton NY USA]","Zawadowicz, Maria A. [Environmental and Climate Sciences Department Brookhaven National Laboratory Upton NY USA] (ORCID:0000000342340954)","Lubin, Dan [Scripps Institution of Oceanography University of California San Diego La Jolla CA USA] (ORCID:0000000258998358)"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Published Article","contributing_org":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)","doe_contract_number":"DE‐SC0021045; SC0021045","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"],"journal_issn":"ISSN 0094-8276","other_identifiers":["Journal ID: ISSN 0094-8276; e2023GL105798"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284006"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284006"}]}, {"osti_id":"2310341","title":"Two-Stage Cryogenic HEMT-Based Amplifier for Low-Temperature Detectors","report_number":"LA-UR-24-20758","doi":"10.1007/s10909-023-03046-1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Low Temperature Physics","description":"To search for dark matter candidates with masses below $\\mathcal{O}$ (MeV), the SPLENDOR (Search for Particles of Light dark mattEr with Narrow-gap semiconDuctORs) experiment is developing novel narrow-bandgap semiconductors with electronic bandgaps on the order of 1–100 meV. In order to detect the charge signal produced by scattering or absorption events, SPLENDOR has designed a two-stage cryogenic HEMT-based amplifier with an estimated charge resolution approaching the single-electron level. A low-capacitance (~ 1.6 pF) HEMT is used as a buffer stage at T = 10 mK to mitigate effects of stray capacitance at the input. The buffered signal is then amplified by a higher-capacitance (~ 200 pF) HEMT amplifier stage at T = 4 K. Importantly, the design of this amplifier makes it usable with any insulating material—allowing for rapid prototyping of a variety of novel detector materials. Here, we present the two-stage cryogenic amplifier design, preliminary voltage noise performance, and estimated charge resolution of 7.2 electrons.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Springer Nature","journal_name":"Journal of Low Temperature Physics","format":"Medium: ED","authors":["Anczarski, Jadyn [Stanford Univ., CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)]","Dubovskov, Makar [Santa Clara Univ., Santa Clara, CA (United States)]","Fink, Caleb Wade [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000339464809)","Kevane, Sukie [Stanford Univ., CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)]","Kurinsky, Noah [Stanford Univ., CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)]","Mazumdar, Aparajita [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000272756101)","Meijer, Samuel Joseph [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000213660361)","Phipps, Arran [California State University, Hayward, CA (United States)]","Ronning, Filip [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000226797957)","Rydstrom, Ivar [Santa Clara Univ., Santa Clara, CA (United States)]","Simchony, Aviv [Stanford Univ., CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)]","Smith, Zoë [Stanford Univ., CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)]","Thomas, Sean Michael [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000308894435)","Watkins, Samuel Linton [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000306491923)","Young, Betty [Santa Clara Univ., Santa Clara, CA (United States)]"],"subjects":["atomic, nuclear and particle physics","material science","HEMT amplifier","dark matter detectors","front-end electronics for detector readout","analogue electronic circuits"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0022-2291","other_identifiers":["Journal ID: ISSN 0022-2291"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310341"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310341"}]}, {"osti_id":"2283989","title":"Self-consistent optimization of the\n <math display=\'inline\'>\n <mi>z<\/mi>\n <\/math>\n expansion for\n <math display=\'inline\'>\n <mi>B<\/mi>\n <\/math>\n -meson decays","report_number":"FERMILAB-PUB-23-196-PPD; arXiv:2304.13045","doi":"10.1103/PhysRevD.109.033003","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D. Journal Volume: 109 Journal Issue: 3","description":"We discuss the self-consistency imposed by the analyticity of regular parts of form factors, appearing in the <math display=\"inline\"><mi>z<\/mi><\/math> expansion for semileptonic <math display=\"inline\"><mi>B<\/mi><\/math>-meson decays, when fitted in different kinematic regions. Relying on the uniqueness of functions defined by analytic continuation, we propose four metrics which measure the departure from the ideal analytic self-consistency. We illustrate the process using Belle data for <math display=\"inline\"><mi>B<\/mi><mo stretchy=\"false\">→<\/mo><mi>D<\/mi><mo>ℓ<\/mo><msub><mi>ν<\/mi><mo>ℓ<\/mo><\/msub><\/math> with the two kinematic regions chosen as the five low-<math display=\"inline\"><mi>z<\/mi><\/math> and the five high-<math display=\"inline\"><mi>z<\/mi><\/math> bins. For this specific example, the metrics provide consistent indications that some choices (order of truncation, Boyd-Grinstein-Lebed or Bourrely-Caprini-Lellouch) made in the form of the <math display=\"inline\"><mi>z<\/mi><\/math> expansion can be optimized. However, other choices (<math display=\"inline\"><mi>z<\/mi><\/math> origin, location of isolated poles and threshold constraints) appear to have very little effect on these metrics. On the other hand, changing the kinetic regions affects the results and should also be considered in the optimization process. We briefly discuss the implication for optimization of the <math display=\"inline\"><mi>z<\/mi><\/math> expansion for nucleon form factors relevant for neutrino oscillation experiments.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. D.","journal_issue":"3","journal_volume":"109","format":"Medium: X","authors":["Simons, Daniel","Gustafson, Erik","Meurice, Yannick (ORCID:0000000209959694)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS"],"article_type":"Published Article","doe_contract_number":"SC0010113; AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"},{"name":"Univ. of Iowa, Iowa City, IA (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)","Univ. of Iowa, Iowa City, IA (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; PRVDAQ; 033003"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283989"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283989"}]}, {"osti_id":"2315621","title":"Room-temperature sub-100 nm Néel-type skyrmions in non-stoichiometric van der Waals ferromagnet Fe<sub>3-$x$<\/sub>GaTe<sub>2<\/sub> with ultrafast laser writability","report_number":"BNL-225338-2024-JAAM","doi":"10.1038/s41467-024-45310-2","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nature Communications; Journal Volume: 15; Journal Issue: 1","description":"Realizing room-temperature magnetic skyrmions in two-dimensional van der Waals ferromagnets offers unparalleled prospects for future spintronic applications. However, due to the intrinsic spin fluctuations that suppress atomic long-range magnetic order and the inherent inversion crystal symmetry that excludes the presence of the Dzyaloshinskii-Moriya interaction, achieving room-temperature skyrmions in 2D magnets remains a formidable challenge. In this study, we target room-temperature 2D magnet Fe<sub>3<\/sub>GaTe<sub>2<\/sub> and unveil that the introduction of iron-deficient into this compound enables spatial inversion symmetry breaking, thus inducing a significant Dzyaloshinskii-Moriya interaction that brings about room-temperature Néel-type skyrmions with unprecedentedly small size. To further enhance the practical applications of this finding, we employ a homemade in-situ optical Lorentz transmission electron microscopy to demonstrate ultrafast writing of skyrmions in Fe<sub>3-$x$<\/sub>GaTe<sub>2<\/sub> using a single femtosecond laser pulse. Our results manifest the Fe<sub>3-$x$<\/sub>GaTe<sub>2<\/sub> as a promising building block for realizing skyrmion-based magneto-optical functionalities.","publication_date":"2024-02-03T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: ED; Size: Article No. 1017","authors":["Li, Zefang [Nankai Univ., Tianjin (China)] (ORCID:0000000222454076)","Zhang, Huai [South China Normal University (SCNU), Guangzhou (China)]","Li, Guanqi [Guangdong University of Technology, Guangzhou (China)]","Guo, Jiangteng [Nankai Univ., Tianjin (China)]","Wang, Qingping [Aba Teachers University, Wenchuan (China)]","Deng, Ying [Nankai Univ., Tianjin (China)]","Hu, Yue [Nankai Univ., Tianjin (China)]","Hu, Xuange [Nankai Univ., Tianjin (China)]","Liu, Can [Nankai Univ., Tianjin (China)]","Qin, Minghui [South China Normal University (SCNU), Guangzhou (China)] (ORCID:000000028306125X)","Shen, Xi [Chinese Academy of Sciences (CAS), Beijing (China)]","Yu, Richeng [Chinese Academy of Sciences (CAS), Beijing (China)]","Gao, Xingsen [South China Normal University (SCNU), Guangzhou (China)] (ORCID:0000000227250785)","Liao, Zhimin [Peking Univ., Beijing (China)] (ORCID:0000000163619626)","Liu, Junming [South China Normal University (SCNU), Guangzhou (China); Nanjing Univ. (China)] (ORCID:0000000189888429)","Hou, Zhipeng [South China Normal University (SCNU), Guangzhou (China)] (ORCID:0000000349352149)","Zhu, Yimei [Brookhaven National Laboratory (BNL), Upton, NY (United States)] (ORCID:0000000216387217)","Fu, Xuewen [Nankai Univ., Tianjin (China)] (ORCID:0000000161164680)"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0012704; 12304146; 11974191; 12127803; 52322108; 52271178; U22A20117; 12241403","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"National Natural Science Foundation of China (NSFC)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","National Natural Science Foundation of China (NSFC)"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)"],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315621"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2315621"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315621"}]}, {"osti_id":"2305567","title":"Roadmap for Unconventional Computing with Nanotechnology","doi":"10.1088/2399-1984/ad299a","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nano Futures","description":"<title>Abstract<\/title>\n <p>In the “Beyond Moore’s Law” era, with increasing edge intelligence, domain-specific computing embracing unconventional approaches will become increasingly prevalent. At the same time, the adoption of a wide variety of nanotechnologies will offer benefits in energy cost, computational speed, reduced footprint, cyber-resilience and processing prowess. The time is ripe to lay out a roadmap for unconventional computing with nanotechnologies to guide future research and this collection aims to fulfill that need. The authors provide a comprehensive roadmap for neuromorphic computing with electron spins, memristive devices, two-dimensional nanomaterials, nanomagnets and assorted dynamical systems. They also address other paradigms such as Ising machines, Bayesian inference engines, probabilistic computing with p-bits, processing in memory, quantum memories and algorithms, computing with skyrmions and spin waves, and brain inspired computing for incremental learning and solving problems in severely resource constrained environments. All of these approaches have advantages over conventional Boolean computing predicated on the von-Neumann architecture. With the computational need for artificial intelligence growing at a rate 50×faster than Moore’s law for electronics, more unconventional approaches to computing and signal processing will appear on the horizon and this roadmap will aid in identifying future needs and challenges.<\/p>","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"IOP Publishing","journal_name":"Nano Futures","format":"Medium: X","authors":["Finocchio, Giovanni (ORCID:0000000210433876)","Incorvia, Jean Anne Currivan (ORCID:0000000248052112)","Friedman, Joseph S.","Yang, Qu","Giordano, Anna","Grollier, Julie","Yang, Hyunsoo (ORCID:0000000309072898)","Ciubotaru, Florin (ORCID:0000000270882075)","Chumak, Andrii","Naeemi, Azad","Cotofana, Sorin","Tomasello, Riccardo (ORCID:0000000292185633)","Panagopoulos, Christos","Carpentieri, Mario","Lin, Peng (ORCID:0000000206798063)","Pan, Gang (ORCID:0000000240496181)","Yang, J. Joshua (ORCID:0000000182427531)","Todri-Sanial, Aida","Boschetto, Gabriele","Makasheva, Kremena (ORCID:0000000161133593)","Sangwan, Vinod","Trivedi, Amit Ranjan","Hersam, Mark C. (ORCID:0000000341201426)","Camsari, Kerem (ORCID:0000000268768812)","McMahon, Peter L.","Datta, Supriyo","Koiller, Belita","Aguilar, Gabriel (ORCID:000000023457506X)","Temporão, Guilherme","Rodrigues, Davi (ORCID:0000000263014974)","Sunada, Satoshi","Everschor-Sitte, Karin (ORCID:0000000187676633)","Tatsumura, Kosuke (ORCID:000000030511443X)","Goto, Hayato (ORCID:0000000311456620)","Puliafito, Vito","Akerman, Johan (ORCID:0000000235136608)","Takesue, Hiroki","Di Ventra, Massimiliano","Pershin, Yuriy V. (ORCID:0000000306045659)","Mukhopadhyay, Saibal","Roy, Kaushik","Wang, It","Kang, Wang (ORCID:0000000231696034)","Zhu, Yao","Kaushik, Brajesh Kumar (ORCID:0000000264140032)","Hasler, Jennifer","Ganguly, Samiran","Ghosh, Avik W.","Levy, W. B.","Roychowdhury, Vwani","Bandyopadhyay, Supriyo (ORCID:0000000160741212)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2399-1984","other_identifiers":["Journal ID: ISSN 2399-1984"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305567"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305567"}]}, {"osti_id":"2305317","title":"A strain density function to analyze particle size effects during high velocity impacts of yttria","report_number":"LA-UR-23-26858","doi":"10.1111/jace.19708","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Ceramic Society","description":"Here, the impact behavior of a single yttria (Y<sub>2<\/sub>O<sub>3<\/sub>) nanoparticle onto a Y<sub>2<\/sub>O<sub>3<\/sub> substrate is studied as a function of particle velocity (300–1200 m/s) and diameter (12–50 nm) using molecular dynamics simulations. To analyze the results, a strain density function is developed to provide both quantitative and qualitative information about the deformation mechanisms that contribute to the final state of the system. This function provides both clear evidence of shear localization and insight into the conditions for which localization occurs during the impact of Y<sub>2<\/sub>O<sub>3<\/sub> particles as they approach experimentally relevant sizes. Further analysis shows that localization and fragmentation only occur for Y<sub>2<\/sub>O<sub>3<\/sub> impacts with diameters of at least 50 nm, while particles with diameters of 25 nm and smaller deform primarily by amorphization and viscous flow. Implications for the deposition of films of Y<sub>2<\/sub>O<sub>3<\/sub> and other rare-earth oxides via the micro cold spray process are discussed.","publication_date":"2024-02-03T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"American Ceramic Society","journal_name":"Journal of the American Ceramic Society","format":"Medium: ED","authors":["Moyers, Aidan Haynes [Univ. of Texas, Austin, TX (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:000000034178262X)","Becker, Michael F. [Univ. of Texas, Austin, TX (United States)]","Kovar, Desiderio [Univ. of Texas, Austin, TX (United States)] (ORCID:0000000218107653)"],"subjects":["molecular dynamics","nanoparticles","strain","yttrium/yttrium compounds"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0002-7820","other_identifiers":["Journal ID: ISSN 0002-7820"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305317"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305317"}]}, {"osti_id":"2283995","title":"Improved subseasonal-to-seasonal precipitation prediction of climate models with nudging approach for better initialization of Tibetan Plateau-Rocky Mountain Circumglobal wave train and land surface conditions","doi":"10.1007/s00382-023-07082-1","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Climate Dynamics","description":"<title>Abstract<\/title>\n <p>Reliable subseasonal-to-seasonal (S2S) precipitation prediction is highly desired due to the great socioeconomical implications, yet it remains one of the most challenging topics in the weather/climate prediction research area. As part of the Impact of Initialized Land Temperature and Snowpack on Sub-seasonal to Seasonal Prediction (LS4P) project of the Global Energy and Water Exchanges (GEWEX) program, twenty-one climate models follow the LS4P protocol to quantify the impact of the Tibetan Plateau (TP) land surface temperature/subsurface temperature (LST/SUBT) springtime anomalies on the global summertime precipitation. We find that nudging towards reanalysis winds is crucial for climate models to generate atmosphere and land surface initial conditions close to observations, which is necessary for meaningful S2S applications. Simulations with nudged initial conditions can better capture the summer precipitation responses to the imposed TP LST/SUBT spring anomalies at hotspot regions all over the world. Further analyses show that the enhanced S2S prediction skill is largely attributable to the substantially improved initialization of the Tibetan Plateau-Rocky Mountain Circumglobal (TRC) wave train pattern in the atmosphere. This study highlights the important role that initial condition plays in the S2S prediction and suggests that data assimilation technique (e.g., nudging) should be adopted to initialize climate models to improve their S2S prediction.<\/p>","publication_date":"2024-02-03T00:00:00Z","entry_date":"2024-02-06T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Climate Dynamics","format":"Medium: X","authors":["Qin, Yi","Tang, Qi (ORCID:0000000329590203)","Xue, Yongkang","Liu, Ye","Lin, Yanluan"],"article_type":"Published Article","doe_contract_number":"E3SM; 22-ERD-008","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0930-7575","other_identifiers":["Journal ID: ISSN 0930-7575; PII: 7082"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283995"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283995"}]}, {"osti_id":"2305818","title":"Grain structure and texture selection regimes in metal powder bed fusion","doi":"10.1016/j.addma.2024.104024","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Additive Manufacturing; Journal Volume: 81; Journal Issue: 1","description":"Additive manufacturing (AM) offers opportunities to produce complex part geometries not possible with conventional processing and in some cases even improve part performance. However, adoption has been slowed by difficulties assessing microstructure variability and there is no straightforward approach to relate processing to grain structure characteristics. In this study, datasets from AdditiveFOAM heat transport simulations of laser powder bed fusion (LPBF) are used to drive ExaCA simulations of grain structure. The GPU utilization of ExaCA and an algorithmic update for modeling melt pool overlap region solidification enabled rapid and parallel simulation across a wider range of process conditions than previously explored with cellular automata-based solidification models. A texture selection angle $θ_s$ is defined based on melt pool overlap geometry, and the range of $θ_s$ over which a commonly observed texture transition occurs in characterized AM builds was well-reproduced by ExaCA simulations over a wide range of melt pool shape, hatch spacing, and layer height. ExaCA simulations with 90 degree rotation of the scan direction on every other layer reproduced a number of trends from the AM literature including grain refinement, the dominance of layers with larger melt pools on the final grain structure, and the weakening or strengthening of texture depending on odd and even layer melt pool overlap geometry. EBSD data from a benchmark AM part is used to validate the simulated mechanism of a layer rotation-induced texture strengthening effect. Importantly, these results expand the understanding of the mechanisms for texture selection in alloys with cubic crystal symmetry and offer an approach to easily evaluate processing conditions. With this new understanding, these modeling tools will enable anticipation of previously unexpected variations in grain structure and target specific microstructures and properties.","publication_date":"2024-02-03T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"Elsevier","journal_name":"Additive Manufacturing","journal_issue":"1","journal_volume":"81","format":"Medium: ED; Size: Article No. 104024","authors":["Rolchigo, Matt R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Coleman, John S. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000272613143)","Knapp, Gerry L. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000022023992X)","Plotkowski, Alex J. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000154718681)"],"subjects":["36 MATERIALS SCIENCE","grain structure","texture","cellular automata","high performance computing"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Materials & Manufacturing Technologies Office (AMMTO)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Office of Science (SC)","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Materials & Manufacturing Technologies Office (AMMTO)","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2214-8604","other_identifiers":["Journal ID: ISSN 2214-8604"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305818"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305818"}]}, {"osti_id":"2287694","title":"Void-Engineered Metamaterial Delay Line with Built-In Impedance Matching for Ultrasonic Applications","report_number":"LA-UR-23-30489","doi":"10.3390/s24030995","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Sensors Journal Volume: 24 Journal Issue: 3","description":"<p>Metamaterials exhibit unique ultrasonic properties that are not always achievable with traditional materials. However, the structures and geometries needed to achieve such properties are often complex and difficult to obtain using common fabrication techniques. In the present research work, we report a novel metamaterial acoustic delay line with built-in impedance matching that is fabricated using a common 3D printer. Delay lines are commonly used in ultrasonic inspection when signals need to be separated in time for improved sensitivity. However, if the impedance of the delay line is not perfectly matched with those of both the sensor and the target medium, a strong standing wave develops in the delay line, leading to a lower energy transmission. The presented metamaterial delay line was designed to match the acoustic impedance at both the sensor and target medium interfaces. This was achieved by introducing graded engineered voids with different densities at both ends of the delay line. The measured impedances of the designed metamaterial samples show a good match with the theoretical predictions. The experimental test results with concrete samples show that the acoustic energy transmission is increased by 120% and the standing wave in the delay line is reduced by over a factor of 2 compared to a commercial delay line.<\/p>","publication_date":"2024-02-03T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"MDPI AG","journal_name":"Sensors","journal_issue":"3","journal_volume":"24","format":"Medium: X; Size: Article No. 995","authors":["Palanisamy, Rajendra P. (ORCID:000000019201575X)","Chavez, Luis A.","Castro, Raymond","Findikoglu, Alp T."],"subjects":["36 MATERIALS SCIENCE","Acoustic impedance","Impedance matching","Delay line","Metamaterial","Additive manufacturing","Concrete inspection"],"article_type":"Published Article","doe_contract_number":"20230563ER; 89233218CNA000001","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 1424-8220","other_identifiers":["Journal ID: ISSN 1424-8220; SENSC9; PII: s24030995"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287694"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287694"}]}, {"osti_id":"2283780","title":"Molecular-level architecture of Chlamydomonas reinhardtii’s glycoprotein-rich cell wall","doi":"10.1038/s41467-024-45246-7","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Microalgae are a renewable and promising biomass for large-scale biofuel, food and nutrient production. However, their efficient exploitation depends on our knowledge of the cell wall composition and organization as it can limit access to high-value molecules. Here we provide an atomic-level model of the non-crystalline and water-insoluble glycoprotein-rich cell wall of\n <italic>Chlamydomonas reinhardtii<\/italic>\n . Using in situ solid-state and sensitivity-enhanced nuclear magnetic resonance, we reveal unprecedented details on the protein and carbohydrate composition and their nanoscale heterogeneity, as well as the presence of spatially segregated protein- and glycan-rich regions with different dynamics and hydration levels. We show that mannose-rich lower-molecular-weight proteins likely contribute to the cell wall cohesion by binding to high-molecular weight protein components, and that water provides plasticity to the cell-wall architecture. The structural insight exemplifies strategies used by nature to form cell walls devoid of cellulose or other glycan polymers.\n <\/p>","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Poulhazan, Alexandre","Arnold, Alexandre A.","Mentink-Vigier, Frederic (ORCID:0000000235709787)","Muszyński, Artur (ORCID:0000000334979977)","Azadi, Parastoo","Halim, Adnan","Vakhrushev, Sergey Y. (ORCID:0000000204185765)","Joshi, Hiren Jitendra (ORCID:0000000281922829)","Wang, Tuo (ORCID:000000021801924X)","Warschawski, Dror E. (ORCID:0000000243634965)","Marcotte, Isabelle (ORCID:0000000174677119)"],"article_type":"Published Article","doe_contract_number":"SC0015662","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 986; PII: 45246"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283780"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283780"}]}, {"osti_id":"2283772","title":"Assessing heterogeneity of patient and health system delay among TB in a population with internal migrants in China","doi":"10.3389/fpubh.2024.1354515","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Public Health Journal Volume: 12","description":"<sec>\n <title>Backgrounds<\/title>\n <p>The diagnostic delay of tuberculosis (TB) contributes to further transmission and impedes the implementation of the End TB Strategy. Therefore, we aimed to describe the characteristics of patient delay, health system delay, and total delay among TB patients in Shanghai, identify areas at high risk for delay, and explore the potential factors of long delay at individual and spatial levels.<\/p>\n <\/sec>\n <sec>\n <title>Method<\/title>\n <p>The study included TB patients among migrants and residents in Shanghai between January 2010 and December 2018. Patient and health system delays exceeding 14 days and total delays exceeding 28 days were defined as long delays. Time trends of long delays were evaluated by Joinpoint regression. Multivariable logistic regression analysis was employed to analyze influencing factors of long delays. Spatial analysis of delays was conducted using ArcGIS, and the hierarchical Bayesian spatial model was utilized to explore associated spatial factors.<\/p>\n <\/sec>\n <sec>\n <title>Results<\/title>\n <p>Overall, 61,050 TB patients were notified during the study period. Median patient, health system, and total delays were 12 days (IQR: 3–26), 9 days (IQR: 4–18), and 27 days (IQR: 15–43), respectively. Migrants, females, older adults, symptomatic visits to TB-designated facilities, and pathogen-positive were associated with longer patient delays, while pathogen-negative, active case findings and symptomatic visits to non-TB-designated facilities were associated with long health system delays (LHD). Spatial analysis revealed Chongming Island was a hotspot for patient delay, while western areas of Shanghai, with a high proportion of internal migrants and industrial parks, were at high risk for LHD. The application of rapid molecular diagnostic methods was associated with reduced health system delays.<\/p>\n <\/sec>\n <sec>\n <title>Conclusion<\/title>\n <p>Despite a relatively shorter diagnostic delay of TB than in the other regions in China, there was vital social-demographic and spatial heterogeneity in the occurrence of long delays in Shanghai. While the active case finding and rapid molecular diagnosis reduced the delay, novel targeted interventions are still required to address the challenges of TB diagnosis among both migrants and residents in this urban setting.<\/p>\n <\/sec>","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Public Health","journal_volume":"12","format":"Medium: X","authors":["Sun, Ruoyao","Wu, Zheyuan","Zhang, Hongyin","Huang, Jinrong","Liu, Yueting","Chen, Meiru","Lv, Yixiao","Zhao, Fei","Zhang, Yangyi","Li, Minjuan","Yan, Jiaqi","Jiang, Hongbing","Zhan, Yiqiang","Xu, Jimin","Xu, Yanzi","Yuan, Jianhui","Zhao, Yang","Shen, Xin","Yang, Chongguang"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"}],"sponsor_orgs":["USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2296-2565","other_identifiers":["Journal ID: ISSN 2296-2565; 1354515"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283772"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283772"}]}, {"osti_id":"2308769","title":"Improved filters for angular filter refractometry","doi":"10.1063/5.0185898","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Review of Scientific Instruments; Journal Volume: 95; Journal Issue: 2","description":"Angular filter refractometry is an optical diagnostic that measures the absolute contours of a line-integrated density gradient by placing a filter with alternating opaque and transparent zones in the focal plane of a probe beam, which produce corresponding alternating light and dark regions in the image plane. Identifying transitions between these regions with specific zones on the angular filter (AF) allows the line-integrated density to be determined, but the sign of the density gradient at each transition is degenerate and must be broken using other information about the object plasma. Additional features from diffraction in the filter plane often complicate data analysis. Here, in this paper, we present an improved AF design that uses a stochastic pixel pattern with a sinusoidal radial profile to minimize unwanted diffraction effects in the image caused by the sharp edges of the filter bands. We also present a technique in which a pair of AFs with different patterns on two branches of the same probe beam can be used to break the density gradient degeneracy. Both techniques are demonstrated using a synthetic diagnostic and data collected on the OMEGA EP (extended performance) laser.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Review of Scientific Instruments","journal_issue":"2","journal_volume":"95","format":"Medium: ED; Size: Article No. 023501","authors":["Heuer, P. V. [Univ. of Rochester, NY (United States). Lab. for Laser Energetics] (ORCID:0000000150506606)","Haberberger, D. [Univ. of Rochester, NY (United States). Lab. for Laser Energetics] (ORCID:0000000259090149)","Ivancic, S. T. [Univ. of Rochester, NY (United States). Lab. for Laser Energetics] (ORCID:0000000194724226)","Dorrer, C. [Univ. of Rochester, NY (United States). Lab. for Laser Energetics] (ORCID:0000000253745394)","Walsh, C. A. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000266393543)","Davies, J. R. [Univ. of Rochester, NY (United States). Lab. for Laser Energetics] (ORCID:0000000182338272)"],"subjects":["47 OTHER INSTRUMENTATION","Fresnel diffraction","Fourier optics","Refractometry","Lasers","Laser ablation","Plasma diagnostics","Plasma flows","Stochastic processes"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003856; SC0020431","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Univ. of Rochester, NY (United States). Lab. for Laser Energetics"}],"research_orgs":["Univ. of Rochester, NY (United States). Lab. for Laser Energetics"],"journal_issn":"ISSN 0034-6748","other_identifiers":["Journal ID: ISSN 0034-6748; 2023-538","1913","2902"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2308769"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2308769"}]}, {"osti_id":"2305459","title":"Electrophoretic Deposition as a Versatile Low-Cost Tool to Construct a Synthetic Polymeric Solid-Electrolyte Interphase on Silicon Anodes: A Model System Investigation","doi":"10.1021/acsami.3c06721","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Applied Materials and Interfaces; Journal Volume: 16; Journal Issue: 6","description":"The cycling of next-generation, high-capacity silicon (Si) anodes capable of 3579 mAh·g<sup>–1<\/sup> is greatly hindered by the instability of the solid-electrolyte interphase (SEI). The large volume changes of Si during (de)lithiation cause continuous cracking of the SEI and its reconstruction, leading to loss of lithium inventory and extensive consumption of electrolyte. The SEI formed in situ during cell cycling is mostly composed of molecular fragments and oligomers, the structure of which is difficult to tailor. In contrast, ex situ formation of a synthetic SEI provides greater flexibility to deposit long-chain, polymeric, and elastomeric components potentially capable of maintaining integrity against the large ~350% volume expansion of Si while also enabling electronic passivation of the surface for longer cycling and calendar life. Furthermore, polymers are amenable to structural modifications, and the desired elasticity can be targeted by selection of the SEI polymer feedstock. Herein, electrophoretic deposition (EPD) is used to apply chitosan as a synthetic SEI on model Si thin film electrodes. Comparison of synthetic SEIs obtained without (Si/Chit) and with CH<sub>3<\/sub>COOLi (Si/Chit+CH<sub>3<\/sub>COOLi) added during EPD is performed to demonstrate a facile route to tuning of the polymer SEI chemistry. Atomic force and scanning electron microscopy reveal that addition of CH<sub>3<\/sub>COOLi at EPD assists in conformal deposition of the synthetic SEI. During electrochemical cycling, the Chit+CH<sub>3<\/sub>COOLi coating nearly doubles the capacity retention versus the reference bare Si thin film. X-ray photoelectron and Fourier transform infrared spectroscopy reveal that CH<sub>3<\/sub>COOLi caps the –NH<sub>2<\/sub> groups of chitosan through amidation during EPD, which suppresses the catalytic reduction of the electrolyte. Here, the presented approach demonstrates and validates EPD as a low-capital route to achieving and chemistry-tuning synthetic SEIs on Si electrodes. More broadly, the method is a promising avenue toward controlled and tailored polymeric SEIs on various conversion-type electrodes with high particle volumetric expansion.","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"ACS Applied Materials and Interfaces","journal_issue":"6","journal_volume":"16","format":"Medium: ED; Size: p. 6908-6919","authors":["Mou, Rownak J. [University of Delaware, Newark, DE (United States)] (ORCID:0000000289218609)","Barua, Sattajit [University of Delaware, Newark, DE (United States)] (ORCID:0009000697559979)","Prasad, Ajay K. [University of Delaware, Newark, DE (United States)]","Epps, Thomas H. [University of Delaware, Newark, DE (United States)] (ORCID:0000000225130966)","Yao, Koffi P. C. [University of Delaware, Newark, DE (United States)] (ORCID:0000000343104347)"],"subjects":["silicon anode","electrophoretic deposition","chitosan","solid-electrolyte interphase","synthetic SEI","biopolymers","electrodeposition","electrodes","surface chemistry","thin films"],"article_type":"Accepted Manuscript","doe_contract_number":"EE0009185","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Energy Efficiency and Renewable Energy (EERE)"],"orgs_research":[{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 1944-8244","other_identifiers":["Journal ID: ISSN 1944-8244"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305459"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305459"}]}, {"osti_id":"2311249","title":"Machine learning at the edge to improve in-field safeguards inspections","report_number":"SAND-2024-01605J","doi":"10.1016/j.anucene.2024.110398","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Annals of Nuclear Energy; Journal Volume: 200; Journal Issue: 1","description":"Artificial intelligence (AI) and machine learning (ML) are near-ubiquitous in day-to-day life; from cars with automated driver-assistance, recommender systems, generative content platforms, and large language chatbots. Implementing AI as a tool for international safeguards could significantly decrease the burden on safeguards inspectors and nuclear facility operators. The use of AI would allow inspectors to complete their in-field activities quicker, while identifying patterns and anomalies and freeing inspectors to focus on the uniquely human component of inspections. Sandia National Laboratories has spent the past two and a half years developing on-device machine learning to develop both a digital and robotic assistant. This combined platform, which we term inspecta, has numerous on-device machine learning capabilities that have been demonstrated at the laboratory scale. Here this work describes early successes implementing AI/ML capabilities to reduce the burden of tedious inspector tasks such as seal examination, information recall, note taking, and more.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"Elsevier","journal_name":"Annals of Nuclear Energy","journal_issue":"1","journal_volume":"200","format":"Medium: ED; Size: Article No. 110398","authors":["Shoman, Nathan [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000208704534)","Williams, Kyle Adrian [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Balsara, Burzin Poras [Stanford University, CA (United States)]","Ramakrishnan, Adithya Vignesh [University of Michigan, Ann Arbor, MI (United States)]","Kakish, Zahi [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Coram, Jamie L. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Honnold, Philip [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Rivas, Tania [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Smartt, Heidi A. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]"],"subjects":["98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL PROTECTION","nonproliferation","International Nuclear Safeguards","machine learning","inspecta"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0306-4549","other_identifiers":["Journal ID: ISSN 0306-4549"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311249"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311249"}]}, {"osti_id":"2283806","title":"The AGORA High-resolution Galaxy Simulations Comparison Project. VI. Similarities and Differences in the Circumgalactic Medium","doi":"10.3847/1538-4357/ad12cb","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 962 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>We analyze the circumgalactic medium (CGM) for eight commonly-used cosmological codes in the AGORA collaboration. The codes are calibrated to use identical initial conditions, cosmology, heating and cooling, and star formation thresholds, but each evolves with its own unique code architecture and stellar feedback implementation. Here, we analyze the results of these simulations in terms of the structure, composition, and phase dynamics of the CGM. We show properties such as metal distribution, ionization levels, and kinematics are effective tracers of the effects of the different code feedback and implementation methods, and as such they can be highly divergent between simulations. This is merely a fiducial set of models, against which we will in the future compare multiple feedback recipes for each code. Nevertheless, we find that the large parameter space these simulations establish can help disentangle the different variables that affect observable quantities in the CGM, e.g., showing that abundances for ions with higher ionization energy are more strongly determined by the simulation’s metallicity, while abundances for ions with lower ionization energy are more strongly determined by the gas density and temperature.<\/p>","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"1","journal_volume":"962","format":"Medium: X; Size: Article No. 29","authors":["Strawn, Clayton (ORCID:0000000196954017)","Roca-Fàbrega, Santi (ORCID:000000026299152X)","Primack, Joel R. (ORCID:0000000150915098)","Kim, Ji-hoon (ORCID:0000000344641160)","Genina, Anna","Hausammann, Loic (ORCID:0000000246874948)","Kim, Hyeonyong (ORCID:0000000278202281)","Lupi, Alessandro (ORCID:0000000161067821)","Nagamine, Kentaro (ORCID:0000000174578487)","Powell, Johnny W. (ORCID:0000000237642395)","Revaz, Yves","Shimizu, Ikkoh","Velázquez, Héctor","Abel, Tom (ORCID:0000000259691251)","Ceverino, Daniel (ORCID:000000028680248X)","Dong, Bili","Jung, Minyong (ORCID:0000000291441383)","Quinn, Thomas R. (ORCID:0000000155102803)","Shin, Eun-jin (ORCID:0000000246395285)","Barrow, Kirk S. S. (ORCID:0000000286381697)","Dekel, Avishai (ORCID:0000000341740374)","Oh, Boon Kiat (ORCID:0000000345976739)","Mandelker, Nir (ORCID:0000000180575880)","Teyssier, Romain (ORCID:0000000176890933)","Hummels, Cameron (ORCID:0000000238178133)","Maji, Soumily","Man, Antonio","Mayerhofer, Paul","the AGORA Collaboration"],"article_type":"Published Article","doe_contract_number":"AC0205CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283806"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283806"}]}, {"osti_id":"2228308","title":"Higher-order moments of the elliptic flow distribution in PbPb collisions at $ \\sqrt{s_{\\textrm{NN}}}$ = 5.02 TeV","report_number":"CMS-HIN-21-010; CERN-EP-2023-158; FERMILAB-PUB-23-766-CMS; arXiv:2311.11370","doi":"10.1007/jhep02(2024)106","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of High Energy Physics (Online); Journal Volume: 2024; Journal Issue: 2","description":"The hydrodynamic flow-like behavior of charged hadrons in high-energy lead-lead collisions is studied through multiparticle correlations. The elliptic anisotropy values based on different orders of multiparticle cumulants, v$_{2}${2k}, are measured up to the tenth order (k = 5) as functions of the collision centrality at a nucleon-nucleon center-of-mass energy of $ \\sqrt{s_{\\textrm{NN}}} $ = 5.02 TeV. The data were recorded by the CMS experiment at the LHC and correspond to an integrated luminosity of 0.607 nb$^{–1}$. A hierarchy is observed between the coefficients, with v$_{2}${2} > v$_{2}${4} ≳ v$_{2}${6} ≳ v$_{2}${8} ≳ v$_{2}${10}. Based on these results, centrality-dependent moments for the fluctuation-driven event-by-event v$_{2}$ distribution are determined, including the skewness, kurtosis and, for the first time, superskewness. Assuming a hydrodynamic expansion of the produced medium, these moments directly probe the initial-state geometry in high-energy nucleus-nucleus collisions.","publication_date":"2024-02-15T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Springer Nature","journal_name":"Journal of High Energy Physics (Online)","journal_issue":"2","journal_volume":"2024","format":"Medium: ED; Size: Article No. 106","authors":["Tumasyan, A.","Adam, W.","Andrejkovic, J. W.","Bergauer, T.","Chatterjee, S.","Damanakis, K.","Dragicevic, M.","Escalante Del Valle, A.","Hussain, P. S.","Jeitler, M.","Krammer, N.","Lechner, L.","Liko, D.","Mikulec, I.","Paulitsch, P.","Pitters, F. M.","Schieck, J.","Schöfbeck, R.","Schwarz, D.","Sonawane, M.","Templ, S.","Waltenberger, W.","Wulz, C. -E.","Darwish, M. R.","Janssen, T.","Kello, T.","Rejeb Sfar, H.","Van Mechelen, P.","Bols, E. S.","D’Hondt, J.","De Moor, A.","Delcourt, M.","El Faham, H.","Lowette, S.","Moortgat, S.","Morton, A.","Müller, D.","Sahasransu, A. R.","Tavernier, S.","Van Doninck, W.","Vannerom, D.","Clerbaux, B.","De Lentdecker, G.","Favart, L.","Hohov, D.","Jaramillo, J.","Lee, K.","Mahdavikhorrami, M.","Makarenko, I.","Malara, A.","Paredes, S.","Pétré, L.","Postiau, N.","Thomas, L.","Vanden Bemden, M.","Vander Velde, C.","Vanlaer, P.","Dobur, D.","Knolle, J.","Lambrecht, L.","Mestdach, G.","Rendón, C.","Samalan, A.","Skovpen, K.","Tytgat, M.","Van Den Bossche, N.","Vermassen, B.","Wezenbeek, L.","Benecke, A.","Bruno, G.","Bury, F.","Caputo, C.","David, P.","Delaere, C.","Donertas, I. S.","Giammanco, A.","Jaffel, K.","Jain, Sa","Lemaitre, V.","Mondal, K.","Taliercio, A.","Tran, T. T.","Vischia, P.","Wertz, S.","Alves, G. A.","Coelho, E.","Hensel, C.","Moraes, A.","Rebello Teles, P.","Aldá Júnior, W. L.","Alves Gallo Pereira, M.","Barroso Ferreira Filho, M.","Brandao Malbouisson, H.","Carvalho, W.","Chinellato, J.","Da Costa, E. M.","Da Silveira, G. G.","De Jesus Damiao, D.","Dos Santos Sousa, V.","Fonseca De Souza, S.","Martins, J.","Mora Herrera, C.","Mota Amarilo, K.","Mundim, L.","Nogima, H.","Santoro, A.","Silva Do Amaral, S. M.","Sznajder, A.","Thiel, M.","Vilela Pereira, A.","Bernardes, C. A.","Calligaris, L.","Fernandez Perez Tomei, T. R.","Gregores, E. M.","Mercadante, P. G.","Novaes, S. F.","Padula, Sandra S.","Aleksandrov, A.","Antchev, G.","Hadjiiska, R.","Iaydjiev, P.","Misheva, M.","Rodozov, M.","Shopova, M.","Sultanov, G.","Dimitrov, A.","Ivanov, T.","Litov, L.","Pavlov, B.","Petkov, P.","Petrov, A.","Shumka, E.","Thakur, S.","Cheng, T.","Javaid, T.","Mittal, M.","Yuan, L.","Ahmad, M.","Bauer, G.","Hu, Z.","Lezki, S.","Yi, K.","Chen, G. M.","Chen, H. S.","Chen, M.","Iemmi, F.","Jiang, C. H.","Kapoor, A.","Liao, H.","Liu, Z. -A.","Milosevic, V.","Monti, F.","Sharma, R.","Tao, J.","Thomas-Wilsker, J.","Wang, J.","Zhang, H.","Zhao, J.","Agapitos, A.","An, Y.","Ban, Y.","Levin, A.","Li, C.","Li, Q.","Lyu, X.","Mao, Y.","Qian, S. J.","Sun, X.","Wang, D.","Xiao, J.","Yang, H.","Lu, M.","You, Z.","Lu, N.","Gao, X.","Leggat, D.","Okawa, H.","Zhang, Y.","Lin, Z.","Lu, C.","Xiao, M.","Avila, C.","Barbosa Trujillo, D. A.","Cabrera, A.","Florez, C.","Fraga, J.","Mejia Guisao, J.","Ramirez, F.","Rodriguez, M.","Ruiz Alvarez, J. D.","Giljanovic, D.","Godinovic, N.","Lelas, D.","Puljak, I.","Antunovic, Z.","Kovac, M.","Sculac, T.","Brigljevic, V.","Chitroda, B. K.","Ferencek, D.","Mishra, S.","Roguljic, M.","Starodumov, A.","Susa, T.","Attikis, A.","Christoforou, K.","Kolosova, M.","Konstantinou, S.","Mousa, J.","Nicolaou, C.","Ptochos, F.","Razis, P. A.","Rykaczewski, H.","Saka, H.","Stepennov, A.","Finger, M.","Finger, M.","Kveton, A.","Ayala, E.","Carrera Jarrin, E.","Elgammal, S.","Ellithi Kamel, A.","Mahmoud, M. A.","Mohammed, Y.","Bhowmik, S.","Dewanjee, R. K.","Ehataht, K.","Kadastik, M.","Lange, T.","Nandan, S.","Nielsen, C.","Pata, J.","Raidal, M.","Tani, L.","Veelken, C.","Eerola, P.","Kirschenmann, H.","Osterberg, K.","Voutilainen, M.","Bharthuar, S.","Brücken, E.","Garcia, F.","Havukainen, J.","Kim, M. S.","Kinnunen, R.","Lampén, T.","Lassila-Perini, K.","Lehti, S.","Lindén, T.","Lotti, M.","Martikainen, L.","Myllymäki, M.","Ott, J.","Rantanen, M. m.","Siikonen, H.","Tuominen, E.","Tuominiemi, J.","Luukka, P.","Petrow, H.","Tuuva, T.","Amendola, C.","Besancon, M.","Couderc, F.","Dejardin, M.","Denegri, D.","Faure, J. L.","Ferri, F.","Ganjour, S.","Gras, P.","Hamel de Monchenault, G.","Lohezic, V.","Malcles, J.","Rander, J.","Rosowsky, A.","Sahin, M. 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B.","Lethuillier, M.","Mirabito, L.","Perries, S.","Torterotot, L.","Vander Donckt, M.","Verdier, P.","Viret, S.","Chokheli, D.","Lomidze, I.","Tsamalaidze, Z.","Botta, V.","Feld, L.","Klein, K.","Lipinski, M.","Meuser, D.","Pauls, A.","Röwert, N.","Teroerde, M.","Diekmann, S.","Dodonova, A.","Eich, N.","Eliseev, D.","Erdmann, M.","Fackeldey, P.","Fasanella, D.","Fischer, B.","Hebbeker, T.","Hoepfner, K.","Ivone, F.","Lee, M. y.","Mastrolorenzo, L.","Merschmeyer, M.","Meyer, A.","Mondal, S.","Mukherjee, S.","Noll, D.","Novak, A.","Nowotny, F.","Pozdnyakov, A.","Rath, Y.","Redjeb, W.","Reithler, H.","Schmidt, A.","Schuler, S. C.","Sharma, A.","Stein, A.","Torres Da Silva De Araujo, F.","Vigilante, L.","Wiedenbeck, S.","Zaleski, S.","Dziwok, C.","Flügge, G.","Haj Ahmad, W.","Hlushchenko, O.","Kress, T.","Nowack, A.","Pooth, O.","Stahl, A.","Ziemons, T.","Zotz, A.","Aarup Petersen, H.","Aldaya Martin, M.","Asmuss, P.","Baxter, S.","Bayatmakou, M.","Behnke, O.","Bermúdez Martínez, A.","Bhattacharya, S.","Bin Anuar, A. A.","Blekman, F.","Borras, K.","Brunner, D.","Campbell, A.","Cardini, A.","Cheng, C.","Colombina, F.","Consuegra Rodríguez, S.","Correia Silva, G.","De Silva, M.","Didukh, L.","Eckerlin, G.","Eckstein, D.","Estevez Banos, L. I.","Filatov, O.","Gallo, E.","Geiser, A.","Giraldi, A.","Greau, G.","Grohsjean, A.","Guglielmi, V.","Guthoff, M.","Jafari, A.","Jomhari, N. Z.","Kaech, B.","Kasemann, M.","Kaveh, H.","Kleinwort, C.","Kogler, R.","Komm, M.","Krücker, D.","Lange, W.","Leyva Pernia, D.","Lipka, K.","Lohmann, W.","Mankel, R.","Melzer-Pellmann, I. -A.","Mendizabal Morentin, M.","Metwally, J.","Meyer, A. B.","Milella, G.","Mormile, M.","Mussgiller, A.","Nürnberg, A.","Otarid, Y.","Pérez Adán, D.","Raspereza, A.","Ribeiro Lopes, B.","Rübenach, J.","Saggio, A.","Saibel, A.","Savitskyi, M.","Scham, M.","Scheurer, V.","Schnake, S.","Schütze, P.","Schwanenberger, C.","Shchedrolosiev, M.","Sosa Ricardo, R. E.","Stafford, D.","Tonon, N.","Van De Klundert, M.","Vazzoler, F.","Ventura Barroso, A.","Walsh, R.","Walter, D.","Wang, Q.","Wen, Y.","Wichmann, K.","Wiens, L.","Wissing, C.","Wuchterl, S.","Yang, Y.","Zimermmane Castro Santos, A.","Albrecht, A.","Albrecht, S.","Antonello, M.","Bein, S.","Benato, L.","Bonanomi, M.","Connor, P.","De Leo, K.","Eich, M.","El Morabit, K.","Feindt, F.","Fröhlich, A.","Garbers, C.","Garutti, E.","Hajheidari, M.","Haller, J.","Hinzmann, A.","Jabusch, H. R.","Kasieczka, G.","Keicher, P.","Klanner, R.","Korcari, W.","Kramer, T.","Kutzner, V.","Labe, F.","Lange, J.","Lobanov, A.","Matthies, C.","Mehta, A.","Moureaux, L.","Mrowietz, M.","Nigamova, A.","Nissan, Y.","Paasch, A.","Pena Rodriguez, K. J.","Quadfasel, T.","Rieger, M.","Rieger, O.","Savoiu, D.","Schindler, J.","Schleper, P.","Schröder, M.","Schwandt, J.","Sommerhalder, M.","Stadie, H.","Steinbrück, G.","Tews, A.","Wolf, M.","Brommer, S.","Burkart, M.","Butz, E.","Caspart, R.","Chwalek, T.","Dierlamm, A.","Droll, A.","Faltermann, N.","Giffels, M.","Gosewisch, J. O.","Gottmann, A.","Hartmann, F.","Horzela, M.","Husemann, U.","Klute, M.","Koppenhöfer, R.","Link, M.","Lintuluoto, A.","Maier, S.","Mitra, S.","Müller, Th","Neukum, M.","Oh, M.","Quast, G.","Rabbertz, K.","Rauser, J.","Schnepf, M.","Shvetsov, I.","Simonis, H. J.","Trevisani, N.","Ulrich, R.","van der Linden, J.","Von Cube, R. F.","Wassmer, M.","Wieland, S.","Wolf, R.","Wozniewski, S.","Wunsch, S.","Zuo, X.","Anagnostou, G.","Assiouras, P.","Daskalakis, G.","Kyriakis, A.","Stakia, A.","Diamantopoulou, M.","Karasavvas, D.","Kontaxakis, P.","Manousakis-Katsikakis, A.","Panagiotou, A.","Papavergou, I.","Saoulidou, N.","Theofilatos, K.","Tziaferi, E.","Vellidis, K.","Zisopoulos, I.","Bakas, G.","Chatzistavrou, T.","Kousouris, K.","Papakrivopoulos, I.","Tsipolitis, G.","Zacharopoulou, A.","Adamidis, K.","Bestintzanos, I.","Evangelou, I.","Foudas, C.","Gianneios, P.","Kamtsikis, C.","Katsoulis, P.","Kokkas, P.","Kosmoglou Kioseoglou, P. G.","Manthos, N.","Papadopoulos, I.","Strologas, J.","Bartók, M.","Bencze, G.","Hajdu, C.","Horvath, D.","Sikler, F.","Veszpremi, V.","Csanád, M.","Farkas, K.","Gadallah, M. A.","Lökös, S.","Major, P.","Mandal, K.","Pásztor, G.","Rádl, A. J.","Surányi, O.","Veres, G. I.","Beni, N.","Czellar, S.","Karancsi, J.","Molnar, J.","Szillasi, Z.","Teyssier, D.","Raics, P.","Ujvari, B.","Csorgo, T.","Nemes, F.","Novak, T.","Babbar, J.","Bansal, S.","Beri, S. B.","Bhatnagar, V.","Chaudhary, G.","Chauhan, S.","Dhingra, N.","Gupta, R.","Kaur, A.","Kaur, A.","Kaur, H.","Kaur, M.","Kumar, S.","Kumari, P.","Meena, M.","Sandeep, K.","Sheokand, T.","Singh, J. B.","Singla, A.","Virdi, A. K.","Ahmed, A.","Bhardwaj, A.","Chhetri, A.","Choudhary, B. C.","Kumar, A.","Naimuddin, M.","Ranjan, K.","Saumya, S.","Baradia, S.","Barman, S.","Bhattacharya, S.","Bhowmik, D.","Dutta, S.","Dutta, S.","Gomber, B.","Maity, M.","Palit, P.","Saha, G.","Sahu, B.","Sarkar, S.","Behera, P. K.","Behera, S. C.","Chatterjee, S.","Kalbhor, P.","Komaragiri, J. R.","Kumar, D.","Muhammad, A.","Panwar, L.","Pradhan, R.","Pujahari, P. R.","Saha, N. R.","Sharma, A.","Sikdar, A. K.","Verma, S.","Naskar, K.","Aziz, T.","Das, I.","Dugad, S.","Kumar, M.","Mohanty, G. 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M.","Butalla, S.","Elkafrawy, T.","Hohlmann, M.","Kumar Verma, R.","Rahmani, M.","Yumiceva, F.","Adams, M. R.","Becerril Gonzalez, H.","Cavanaugh, R.","Dittmer, S.","Evdokimov, O.","Gerber, C. E.","Hofman, D. J.","Lemos, D. S.","Merrit, A. H.","Mills, C.","Oh, G.","Roy, T.","Rudrabhatla, S.","Tonjes, M. B.","Varelas, N.","Wang, X.","Ye, Z.","Yoo, J.","Alhusseini, M.","Dilsiz, K.","Emediato, L.","Karaman, G.","Köseyan, O. K.","Merlo, J. -P.","Mestvirishvili, A.","Nachtman, J.","Neogi, O.","Ogul, H.","Onel, Y.","Penzo, A.","Snyder, C.","Tiras, E.","Amram, O.","Blumenfeld, B.","Corcodilos, L.","Davis, J.","Gritsan, A. V.","Kyriacou, S.","Maksimovic, P.","Roskes, J.","Sekhar, S.","Swartz, M.","Vámi, T. Á.","Abreu, A.","Alcerro Alcerro, L. F.","Anguiano, J.","Baringer, P.","Bean, A.","Flowers, Z.","Isidori, T.","King, J.","Krintiras, G.","Lazarovits, M.","Le Mahieu, C.","Lindsey, C.","Marquez, J.","Minafra, N.","Murray, M.","Nickel, M.","Rogan, C.","Royon, C.","Salvatico, R.","Sanders, S.","Smith, C.","Wang, Q.","Wilson, G.","Allmond, B.","Duric, S.","Ivanov, A.","Kaadze, K.","Kalogeropoulos, A.","Kim, D.","Maravin, Y.","Mitchell, T.","Modak, A.","Nam, K.","Roy, D.","Rebassoo, F.","Wright, D.","Adams, T.","Baden, A.","Baron, O.","Belloni, A.","Bethani, A.","Eno, S. C.","Hadley, N. J.","Jabeen, S.","Kellogg, R. G.","Koeth, T.","Lai, Y.","Lascio, S.","Mignerey, A. C.","Nabili, S.","Palmer, C.","Papageorgakis, C.","Wang, L.","Wong, K.","Abercrombie, D.","Busza, W.","Cali, I. A.","Chen, Y.","D’Alfonso, M.","Eysermans, J.","Freer, C.","Gomez-Ceballos, G.","Goncharov, M.","Harris, P.","Hu, M.","Kovalskyi, D.","Krupa, J.","Lee, Y. -J.","Long, K.","Mironov, C.","Paus, C.","Rankin, D.","Roland, C.","Roland, G.","Shi, Z.","Stephans, G. F.","Wang, J.","Wang, Z.","Wyslouch, B.","Yang, T. J.","Chatterjee, R. M.","Crossman, B.","Evans, A.","Hiltbrand, J.","Joshi, B. M.","Kapsiak, C.","Krohn, M.","Kubota, Y.","Mans, J.","Revering, M.","Rusack, R.","Saradhy, R.","Schroeder, N.","Strobbe, N.","Wadud, M. A.","Cremaldi, L. M.","Bloom, K.","Bryson, M.","Claes, D. R.","Fangmeier, C.","Finco, L.","Golf, F.","Joo, C.","Kamalieddin, R.","Kravchenko, I.","Reed, I.","Siado, J. E.","Snow, G. R.","Tabb, W.","Wightman, A.","Yan, F.","Zecchinelli, A. G.","Agarwal, G.","Bandyopadhyay, H.","Hay, L.","Iashvili, I.","Kharchilava, A.","McLean, C.","Morris, M.","Nguyen, D.","Pekkanen, J.","Rappoccio, S.","Williams, A.","Alverson, G.","Barberis, E.","Haddad, Y.","Han, Y.","Krishna, A.","Li, J.","Lidrych, J.","Madigan, G.","Marzocchi, B.","Morse, D. M.","Nguyen, V.","Orimoto, T.","Parker, A.","Skinnari, L.","Tishelman-Charny, A.","Wamorkar, T.","Wang, B.","Wisecarver, A.","Wood, D.","Bhattacharya, S.","Bueghly, J.","Chen, Z.","Gilbert, A.","Hahn, K. A.","Liu, Y.","Odell, N.","Schmitt, M. H.","Velasco, M.","Band, R.","Bucci, R.","Cremonesi, M.","Das, A.","Goldouzian, R.","Hildreth, M.","Hurtado Anampa, K.","Jessop, C.","Lannon, K.","Lawrence, J.","Loukas, N.","Lutton, L.","Mariano, J.","Marinelli, N.","Mcalister, I.","McCauley, T.","Mcgrady, C.","Mohrman, K.","Moore, C.","Musienko, Y.","Ruchti, R.","Townsend, A.","Wayne, M.","Yockey, H.","Zarucki, M.","Zygala, L.","Bylsma, B.","Carrigan, M.","Durkin, L. S.","Francis, B.","Hill, C.","Joyce, M.","Lesauvage, A.","Nunez Ornelas, M.","Wei, K.","Winer, B. L.","Yates, B. R.","Addesa, F. M.","Das, P.","Dezoort, G.","Elmer, P.","Frankenthal, A.","Greenberg, B.","Haubrich, N.","Higginbotham, S.","Kopp, G.","Kwan, S.","Lange, D.","Marlow, D.","Ojalvo, I.","Olsen, J.","Stickland, D.","Tully, C.","Malik, S.","Norberg, S.","Bakshi, A. S.","Barnes, V. E.","Chawla, R.","Das, S.","Gutay, L.","Jones, M.","Jung, A. W.","Kondratyev, D.","Koshy, A. M.","Liu, M.","Negro, G.","Neumeister, N.","Paspalaki, G.","Piperov, S.","Purohit, A.","Schulte, J. F.","Stojanovic, M.","Thieman, J.","Wang, F.","Xiao, R.","Xie, W.","Dolen, J.","Parashar, N.","Acosta, D.","Baty, A.","Carnahan, T.","Dildick, S.","Ecklund, K. M.","Fernández Manteca, P. J.","Freed, S.","Gardner, P.","Geurts, F. M.","Kumar, A.","Li, W.","Padley, B. P.","Redjimi, R.","Rotter, J.","Yang, S.","Yigitbasi, E.","Zhang, L.","Zhang, Y.","Bodek, A.","de Barbaro, P.","Demina, R.","Dulemba, J. L.","Fallon, C.","Galanti, M.","Garcia-Bellido, A.","Hindrichs, O.","Khukhunaishvili, A.","Parygin, P.","Popova, E.","Ranken, E.","Taus, R.","Van Onsem, G. P.","Goulianos, K.","Chiarito, B.","Chou, J. P.","Gershtein, Y.","Halkiadakis, E.","Hart, A.","Heindl, M.","Jaroslawski, D.","Karacheban, O.","Laflotte, I.","Lath, A.","Montalvo, R.","Nash, K.","Osherson, M.","Routray, H.","Salur, S.","Schnetzer, S.","Somalwar, S.","Stone, R.","Thayil, S. A.","Thomas, S.","Wang, H.","Acharya, H.","Delannoy, A. G.","Fiorendi, S.","Holmes, T.","Nibigira, E.","Spanier, S.","Bouhali, O.","Dalchenko, M.","Delgado, A.","Eusebi, R.","Gilmore, J.","Huang, T.","Kamon, T.","Kim, H.","Luo, S.","Malhotra, S.","Mueller, R.","Overton, D.","Rathjens, D.","Safonov, A.","Akchurin, N.","Damgov, J.","Hegde, V.","Lamichhane, K.","Lee, S. W.","Mengke, T.","Muthumuni, S.","Peltola, T.","Volobouev, I.","Whitbeck, A.","Appelt, E.","Greene, S.","Gurrola, A.","Johns, W.","Melo, A.","Romeo, F.","Sheldon, P.","Tuo, S.","Velkovska, J.","Viinikainen, J.","Cardwell, B.","Cox, B.","Cummings, G.","Hakala, J.","Hirosky, R.","Ledovskoy, A.","Li, A.","Neu, C.","Perez Lara, C. E.","Tannenwald, B.","Karchin, P. E.","Poudyal, N.","Banerjee, S.","Black, K.","Bose, T.","Dasu, S.","De Bruyn, I.","Everaerts, P.","Galloni, C.","He, H.","Herndon, M.","Herve, A.","Koraka, C. K.","Lanaro, A.","Loeliger, A.","Loveless, R.","Madhusudanan Sreekala, J.","Mallampalli, A.","Mohammadi, A.","Mondal, S.","Parida, G.","Pinna, D.","Savin, A.","Shang, V.","Sharma, V.","Smith, W. H.","Teague, D.","Tsoi, H. F.","Vetens, W.","Afanasiev, S.","Andreev, V.","Andreev, Yu","Aushev, T.","Azarkin, M.","Babaev, A.","Belyaev, A.","Blinov, V.","Boos, E.","Borshch, V.","Budkouski, D.","Chekhovsky, V.","Chistov, R.","Danilov, M.","Demiyanov, A.","Dermenev, A.","Dimova, T.","Dremin, I.","Epshteyn, V.","Ershov, A.","Gavrilov, G.","Gavrilov, V.","Gninenko, S.","Golovtcov, V.","Golubev, N.","Golutvin, I.","Gorbunov, I.","Gribushin, A.","Ivanov, Y.","Kachanov, V.","Kardapoltsev, L.","Karjavine, V.","Karneyeu, A.","Khein, L.","Kim, V.","Kirakosyan, M.","Kirpichnikov, D.","Kirsanov, M.","Kodolova, O.","Konstantinov, D.","Korenkov, V.","Korotkikh, V.","Kozyrev, A.","Krasnikov, N.","Lanev, A.","Levchenko, P.","Litomin, A.","Lychkovskaya, N.","Makarenko, V.","Malakhov, A.","Matveev, V.","Murzin, V.","Nikitenko, A.","Obraztsov, S.","Ovtin, I.","Palichik, V.","Perelygin, V.","Petrushanko, S.","Polikarpov, S.","Popov, V.","Radchenko, O.","Savina, M.","Savrin, V.","Selivanova, D.","Shalaev, V.","Shmatov, S.","Shulha, S.","Skovpen, Y.","Slabospitskii, S.","Smirnov, V.","Snigirev, A.","Sosnov, D.","Sulimov, V.","Tcherniaev, E.","Terkulov, A.","Teryaev, O.","Tlisova, I.","Toropin, A.","Uvarov, L.","Uzunian, A.","Vardanyan, I.","Vlasov, E.","Vorobyev, A.","Voytishin, N.","Yuldashev, B. S.","Zarubin, A.","Zhizhin, I.","Zhokin, A."],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","73 NUCLEAR PHYSICS AND RADIATION PHYSICS","event-by-event fluctuation","harmonic flow","heavy ion experiments","relativistic heavy ion physics"],"article_type":"Accepted Manuscript","contributing_org":"CMS Collaboration","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"},{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)","Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 1029-8479","other_identifiers":["Journal ID: ISSN 1029-8479; oai:inspirehep.net:2724506"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2228308"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2228308"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2228308"}]}, {"osti_id":"2283779","title":"K isomers in atomic nuclei","doi":"10.1140/epjs/s11734-024-01096-4","product_type":"Journal Article","language":"English","country_publication":"France","relation":"Journal Name: European Physical Journal. Special Topics","description":"<title>Abstract<\/title>\n <p>\n The properties of\n <italic>K<\/italic>\n isomers are reviewed. Energies and decay hindrance factors are considered in detail for selected isomers in the\n <inline-formula>\n <alternatives>\n <tex-math>$$A \\approx $$<\/tex-math>\n <math>\n <mrow>\n <mi>A<\/mi>\n <mo>≈<\/mo>\n <\/mrow>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n  160–190 region, focusing on pairing effects and the key\n <italic>K<\/italic>\n -mixing mechanisms that influence\n <inline-formula>\n <alternatives>\n <tex-math>$$\\gamma $$<\/tex-math>\n <math>\n <mi>γ<\/mi>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n -ray decay rates. The\n <inline-formula>\n <alternatives>\n <tex-math>$$\\beta $$<\/tex-math>\n <math>\n <mi>β<\/mi>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n -decay of\n <italic>K<\/italic>\n isomers is studied, indicating that, far from the valley of\n <inline-formula>\n <alternatives>\n <tex-math>$$\\beta $$<\/tex-math>\n <math>\n <mi>β<\/mi>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n stability, high-\n <italic>K<\/italic>\n <inline-formula>\n <alternatives>\n <tex-math>$$\\beta $$<\/tex-math>\n <math>\n <mi>β<\/mi>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n -decaying isomers will populate high-\n <italic>K<\/italic>\n states in the daughter nuclei. The challenges of revealing predicted, but as-yet undiscovered, long-lived isomers in the neutron-rich\n <inline-formula>\n <alternatives>\n <tex-math>$$N \\approx 116$$<\/tex-math>\n <math>\n <mrow>\n <mi>N<\/mi>\n <mo>≈<\/mo>\n <mn>116<\/mn>\n <\/mrow>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n prolate–oblate shape transition region are highlighted, and the occurrence of oblate high-\n <italic>K<\/italic>\n isomers is discussed. The 2015 multi-quasiparticle\n <italic>K<\/italic>\n -isomer table of Kondev, Dracoulis, and Kibédi is updated.\n <\/p>","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"European Physical Journal. Special Topics","format":"Medium: X","authors":["Walker, P. M. (ORCID:0000000294413011)","Kondev, F. G."],"article_type":"Published Article","doe_contract_number":"AC02- 06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1951-6355","other_identifiers":["Journal ID: ISSN 1951-6355; PII: 1096"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283779"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283779"}]}, {"osti_id":"2310370","title":"Synthesis and characterization of the rare-earth chloride complexes with <em>N,N,N\',N\'<\/em>-tetramethylmalonamide","doi":"10.1016/j.jssc.2024.124595","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Solid State Chemistry; Journal Volume: 332","description":"Exploration of the solid-state chemistry of the f-elements and their coordination chemistry can assist in understanding the speciation of these elements in solution, which, in turn, can aid in the interpretation of their chemical behavior in complex liquid-liquid separations. Within these separation processes, malonamides are common organic extractants that are used for complexing both lanthanides and actinides, thus it is relevant to understand the malonamide ligand complexation under various conditions. In this work, we investigate solid-state complexes of the rare-earth chlorides with <em>N,N,N\',N\'<\/em>-tetramethylmalonamide (TMMA) across the entire lanthanide series. Here, we isolated two structural families of compounds Ln(TMMA)<sub>2<\/sub>Cl<sub>3<\/sub> Ln = La–Dy and [Ln(TMMA)<sub>2<\/sub>(H<sub>2<\/sub>O)<sub>4<\/sub>]Cl<sub>3<\/sub> • <em>x<\/em>H<sub>2<\/sub>O <em>x<\/em> = 0,4 Ln = Ho–Lu, showing differences in chloride coordination from the inner-sphere complex for early lanthanides to outer-sphere for the late lanthanides. Both structural series were additionally analyzed by both IR and Raman spectroscopy confirming similarities in malonamide ligand coordination modes, while showing differences in vibrational features associated with chloride and aqua ligand coordination.","publication_date":"2024-02-03T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Elsevier","journal_name":"Journal of Solid State Chemistry","journal_volume":"332","format":"Medium: ED; Size: Article No. 124595","authors":["Kravchuk, Dmytro V. [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:000000032616759X)","Wilson, Richard E. [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000186185680)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-06CH11357","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"],"orgs_research":[{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 0022-4596","other_identifiers":["Journal ID: ISSN 0022-4596; 187464"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2310370"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2310370"}]}, {"osti_id":"2311517","title":"Assessing the Consequences of Postclosure Criticality in Spent Nuclear Fuel","report_number":"SAND2024-01623J","doi":"10.1080/00295450.2023.2277028","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nuclear Technology","description":"The U.S. Department of Energy is funding research into studying the consequences of postclosure criticality on the performance of a generic repository by (1) identifying the features, events, and processes (FEPs) that need to be considered in such an analysis, (2) developing the tools needed to model the relevant FEPs in a postclosure performance assessment, and (3) conducting analyses both with and without the occurrence of a postclosure criticality and comparing the results. Here, this paper describes progress in this area of research and presents the results to date of analyzing the consequences of a postulated steady-state criticality in a hypothetical saturated shale repository. Preliminary results indicate that postclosure criticality would not affect repository performance.","publication_date":"2024-02-09T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"Taylor & Francis","journal_name":"Nuclear Technology","format":"Medium: ED","authors":["Price, Laura L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)] (ORCID:0009000335243811)","Alsaed, Halim [EnviroNuclear, Las Vegas, NV (United States)]","Basurto, Eduardo [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)]","Salazar, Alex [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)]","Davidson, Gregory [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Swinney, Mathew [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]"],"subjects":["postclosure criticality","radioactive waste disposal","dual-purpose canister","geologic repository"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Nuclear Energy (NE), Office of Spent Fuel and Waste Disposition"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Nuclear Energy (NE), Office of Spent Fuel and Waste Disposition"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0029-5450","other_identifiers":["Journal ID: ISSN 0029-5450"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311517"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311517"}]}, {"osti_id":"2283778","title":"Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane","doi":"10.1038/s41557-023-01420-w","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Chemistry","description":"<title>Abstract<\/title>\n <p>The light-induced ultrafast switching between molecular isomers norbornadiene and quadricyclane can reversibly store and release a substantial amount of chemical energy. Prior work observed signatures of ultrafast molecular dynamics in both isomers upon ultraviolet excitation but could not follow the electronic relaxation all the way back to the ground state experimentally. Here we study the electronic relaxation of quadricyclane after exciting in the ultraviolet (201 nanometres) using time-resolved gas-phase extreme ultraviolet photoelectron spectroscopy combined with non-adiabatic molecular dynamics simulations. We identify two competing pathways by which electronically excited quadricyclane molecules relax to the electronic ground state. The fast pathway (<100 femtoseconds) is distinguished by effective coupling to valence electronic states, while the slow pathway involves initial motions across Rydberg states and takes several hundred femtoseconds. Both pathways facilitate interconversion between the two isomers, albeit on different timescales, and we predict that the branching ratio of norbornadiene/quadricyclane products immediately after returning to the electronic ground state is approximately 3:2.<\/p>","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Chemistry","format":"Medium: X","authors":["Borne, Kurtis D.","Cooper, Joseph C.","Ashfold, Michael N. R. (ORCID:0000000157627048)","Bachmann, Julien (ORCID:0000000164806212)","Bhattacharyya, Surjendu","Boll, Rebecca (ORCID:0000000162864064)","Bonanomi, Matteo","Bosch, Michael (ORCID:0000000308378780)","Callegari, Carlo (ORCID:0000000154917752)","Centurion, Martin (ORCID:0000000256622293)","Coreno, Marcello","Curchod, Basile F. E. (ORCID:000000021705473X)","Danailov, Miltcho B.","Demidovich, Alexander (ORCID:0000000323552257)","Di Fraia, Michele (ORCID:0000000181020799)","Erk, Benjamin (ORCID:0000000184133588)","Faccialà, Davide (ORCID:0000000250720394)","Feifel, Raimund (ORCID:0000000152343935)","Forbes, Ruaridh J. G. (ORCID:0000000320975991)","Hansen, Christopher S. (ORCID:0000000289540825)","Holland, David M. P. (ORCID:000000031351605X)","Ingle, Rebecca A. (ORCID:0000000205663407)","Lindh, Roland (ORCID:0000000175678295)","Ma, Lingyu","McGhee, Henry G.","Muvva, Sri Bhavya (ORCID:000000021051019X)","Nunes, Joao Pedro Figueira (ORCID:0000000306706023)","Odate, Asami","Pathak, Shashank (ORCID:0000000279160191)","Plekan, Oksana","Prince, Kevin C. (ORCID:0000000254167354)","Rebernik, Primoz","Rouzée, Arnaud","Rudenko, Artem (ORCID:0000000291548463)","Simoncig, Alberto","Squibb, Richard J.","Venkatachalam, Anbu Selvam","Vozzi, Caterina (ORCID:0000000202120191)","Weber, Peter M. (ORCID:000000033017336X)","Kirrander, Adam (ORCID:0000000233478137)","Rolles, Daniel (ORCID:0000000239653477)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1755-4330","other_identifiers":["Journal ID: ISSN 1755-4330; PII: 1420"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283778"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283778"}]}, {"osti_id":"2311254","title":"Scientific Foundations and Approaches for Qualification of Additively Manufactured Structural Components","report_number":"SAND-2024-01563J","doi":"10.1007/s11837-024-06390-z","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: JOM. Journal of the Minerals, Metals & Materials Society; Journal Volume: Online Pub; Journal Issue: Materials","description":"Additive manufacturing (AM) maintains a wide process window that enables complex designs otherwise unattainable via conventional production technologies. However, the lack of confidence in qualifying AM parts that leverage AM process–structure–property–performance (PSPP) relationships stymies design optimization and adoption of AM. While continuing efforts to map fundamental PSPP relationships that cover the potential design space, we first need pragmatic and then long-term solutions that overcome challenges associated with qualifying AM-designed parts. Two pragmatic solutions include: (1) AM material specifications to substantiate process reproducibility, and (2) component risk categorization to associate system risk relative to part performance and required part quality. A novel qualification paradigm under development involves efficient prediction of part performance over wide-ranging PSPP relationships through targeted testing and computational simulation. Here this paper describes projects at Sandia National Laboratories on PSPP relationship discovery, these pragmatic approaches, and the novel qualification approach.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-03-12T00:00:00Z","publisher":"Springer","journal_name":"JOM. Journal of the Minerals, Metals & Materials Society","journal_issue":"Materials","journal_volume":"Online Pub","format":"Medium: ED; Size: p. 1-7","authors":["Kramer, Sharlotte LorraineBolyard [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Experimental Solid Mechanics] (ORCID:0000000160158385)","LeBrun, Tyler Christopher [Sandia National Laboratories (SNL-CA), Livermore, CA (United States). R&D Systems Engineering]","Pegues, Jonathan Wesley [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Advanced Metal Processing]"],"subjects":["36 MATERIALS SCIENCE","additive manufacturing","material specifications","inspection"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 1047-4838","other_identifiers":["Journal ID: ISSN 1047-4838"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311254"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311254"}]}, {"osti_id":"2283769","title":"Absorption and scattering limits of silicon nitride integrated photonics in the visible spectrum","doi":"10.1364/OE.505892","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optics Express Journal Volume: 32 Journal Issue: 4","description":"<p>Visible-light photonic integrated circuits (PICs) promise scalability for technologies such as quantum information, biosensing, and scanning displays, yet extending large-scale silicon photonics to shorter wavelengths has been challenging due to the higher losses. Silicon nitride (SiN) has stood out as the leading platform for visible photonics, but the propagation losses strongly depend on the film’s deposition and fabrication processes. Current loss measurement techniques cannot accurately distinguish between absorption and surface scattering, making it difficult to identify the dominant loss source and reach the platform’s fundamental limit. Here we demonstrate an ultra-low loss, high-confinement SiN platform that approaches the limits of absorption and scattering across the visible spectrum. Leveraging the sensitivity of microresonators to loss, we probe and discriminate each loss contribution with unparalleled sensitivity, and derive their fundamental limits and scaling laws as a function of wavelength, film properties and waveguide parameters. Through the design of the waveguide cross-section, we show how to approach the absorption limit of the platform, and demonstrate the lowest propagation losses in high-confinement SiN to date across the visible spectrum. We envision that our techniques for loss characterization and minimization will contribute to the development of large-scale, dense PICs that redefine the loss limits of integrated platforms across the electromagnetic spectrum.<\/p>","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"Optical Society of America","journal_name":"Optics Express","journal_issue":"4","journal_volume":"32","format":"Medium: X; Size: Article No. 5718","authors":["Corato-Zanarella, Mateus (ORCID:0000000327318046)","Ji, Xingchen (ORCID:0000000202840818)","Mohanty, Aseema (ORCID:0000000315442859)","Lipson, Michal"],"article_type":"Published Article","doe_contract_number":"BNL No. 390033","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1094-4087","other_identifiers":["Journal ID: ISSN 1094-4087; OPEXFF"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283769"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283769"}]}, {"osti_id":"2251559","title":"Recent progress in analysis of strain-induced phenomena in irradiated metallic materials and advanced alloys using SEM-EBSD in-situ tensile testing","doi":"10.1016/j.cossms.2023.101132","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Current Opinion in Solid State and Materials Science Journal Volume: 28 Journal Issue: C","description":"In-situ mechanical testing in a scanning electron microscope (SEM) equipped with an electron backscatter diffraction (EBSD) system has quickly gained popularity, particularly because of its rich experimental outcomes. In this work, the advantages and challenges of this approach are systemized and critically discussed in relation to testing irradiated metallic materials and novel materials in development. Key observations and experimental results are evaluated for irradiated austenitic stainless steels, an additively manufactured (AM) 316 stainless steel, and a modern accident-tolerant FeCrAl alloy. Various deformation mechanisms are discussed using experimental EBSD datasets, including dislocation channeling in irradiated alloys, strain localization, lattice rotation, texture development, twinning, phase instability, and microfracture events. Several rare strain-induced phenomena are described, such as grain boundary dissolution in FeCrAl alloy and twinning boundary migration in AM 316 stainless steel. These results demonstrate the advantages and capability of EBSD-assisted experiments to inform assessment and understanding of the complexity of deformation processes at different microstructure scales. Some challenges and impediments associated with this approach are also discussed, along with recommendations for future research advancements.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2023-12-25T00:00:00Z","publisher":"Elsevier","journal_name":"Current Opinion in Solid State and Materials Science","journal_issue":"C","journal_volume":"28","format":"Medium: X; Size: Article No. 101132","authors":["Gussev, M. N. (ORCID:0000000168140737)","McClintock, D. A.","Byun, T. S.","Lach, T. G."],"subjects":["36 MATERIALS SCIENCE","SEM/EBSD in-situ tensile testing","Irradiated metallic materials","Deformation mechanisms","Dislocation channeling","Twinning","Phase instability","Grain boundary dissolution","Grain boundary migration"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1359-0286","other_identifiers":["Journal ID: ISSN 1359-0286; S1359028623000773; 101132; PII: S1359028623000773"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2251559"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2251559"}]}, {"osti_id":"2283771","title":"Dissimilar material joining of densified superwood to aluminum by adhesive bonding","doi":"10.1007/s00170-024-13155-0","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: International Journal of Advanced Manufacturing Technology Journal Volume: 131 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Superwood is a densified wood product that shows promise as a lightweight and renewable alternative for metallic materials. In order for this high-performance new material to be used in multi-material products, it must be able to be joined with other major materials. For example, joining superwood to aluminum would provide a key enabling technology for its use in automotive components since aluminum is presently a major lightweight material for such applications. In this paper, a methacrylate-based adhesive has been identified to provide high lap shear strength (7.5 MPa) for aluminum-to-superwood joints. The aluminum-to-superwood samples were prepared with different amounts of pre-polishing to create openings to the pores in the superwood so adhesive could penetrate into them and create a mechanical interlock, in addition to the hydrogen/chemical bonding at the surface between the methyl methacrylate (MMA) in methacrylate-based adhesive and the cellulose in superwood. For aluminum samples, a thin layer (typically a few nanometers) of oxide film on the surfaces provides hydrogen/chemical bond to MMA structure in the adhesive layer. The failure strength of the superwood-to-aluminum joint sample is about 50% higher than that of natural wood to natural wood joint sample and comparable to that of aluminum-to-aluminum joint sample.<\/p>","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-20T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"International Journal of Advanced Manufacturing Technology","journal_issue":"1","journal_volume":"131","format":"Medium: X; Size: p. 425-436","authors":["Hartsfield, Matt","Chen, Bo","Liu, Yu","He, Shuaiming","Leiste, Ulrich H.","Fourney, William L.","Li, Teng","Hu, Liangbing","Luo, Alan A. (ORCID:0000000243560468)"],"article_type":"Published Article","doe_contract_number":"AR0001025","subjects":[],"orgs_sponsor":[{"name":"USDOE Advanced Research Projects Agency - Energy (ARPA-E)"}],"sponsor_orgs":["USDOE Advanced Research Projects Agency - Energy (ARPA-E)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0268-3768","other_identifiers":["Journal ID: ISSN 0268-3768; PII: 13155"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283771"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283771"}]}, {"osti_id":"2322384","title":"Introducing the Video In Situ Snowfall Sensor (VISSS)","doi":"10.5194/amt-17-899-2024","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Atmospheric Measurement Techniques (Online); Journal Volume: 17; Journal Issue: 2","description":"The open-source Video In Situ Snowfall Sensor (VISSS) is introduced as a novel instrument for the characterization of particle shape and size in snowfall. The VISSS consists of two cameras with LED backlights and telecentric lenses that allow accurate sizing and combine a large observation volume with relatively high pixel resolution and a design that limits wind disturbance. VISSS data products include various particle properties such as maximum extent, cross-sectional area, perimeter, complexity, and sedimentation velocity. Initial analysis shows that the VISSS provides robust statistics based on up to 10 000 unique particle observations per minute. Comparison of the VISSS with the collocated PIP (Precipitation Imaging Package) and Parsivel instruments at Hyytiälä, Finland, shows excellent agreement with the Parsivel but reveals some differences for the PIP that are likely related to PIP data processing and limitations of the PIP with respect to observing smaller particles. The open-source nature of the VISSS hardware plans, data acquisition software, and data processing libraries invites the community to contribute to the development of the instrument, which has many potential applications in atmospheric science and beyond.","availability":"ORNL","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Copernicus Publications, EGU","journal_name":"Atmospheric Measurement Techniques (Online)","journal_issue":"2","journal_volume":"17","format":"Medium: ED; Size: p. 899-919","authors":["Maahn, Maximilian [Univ. of Leipzig (Germany)] (ORCID:0000000225809100)","Moisseev, Dmitri [Univ. of Helsinki (Finland); Finnish Meteorological Inst. (FMI), Helsinki (Finland)] (ORCID:0000000245750409)","Steinke, Isabelle [Univ. of Leipzig (Germany); Delft Univ. of Technology (Netherlands)]","Maherndl, Nina [Univ. of Leipzig (Germany)] (ORCID:0000000315171534)","Shupe, Matthew D. [Univ. of Colorado, Boulder, CO (United States); National Oceanic and Atmospheric Administration (NOAA), Boulder, CO (United States)] (ORCID:0000000209739982)"],"subjects":["54 ENVIRONMENTAL SCIENCES"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; OPP-1724551; NA22OAR4320151","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Science Foundation (NSF)"},{"name":"National Oceanic and Atmospheric Administration (NOAA)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Science Foundation (NSF)","National Oceanic and Atmospheric Administration (NOAA)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1867-8548","other_identifiers":["Journal ID: ISSN 1867-8548"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322384"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2322384"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2322384"}]}, {"osti_id":"2305585","title":"Linear and Nonlinear Optical Properties of All-\n <i>cis<\/i>\n and All-\n <i>trans<\/i>\n Poly(\n <i>p<\/i>\n -phenylenevinylene)","doi":"10.1021/acs.jpcc.3c07082","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry. C Journal Volume: 128 Journal Issue: 6","description":"Poly(p-phenylenevinylene) (PPV) is a staple of the family of conjugated polymers with desirable optoelectronic properties for applications including light-emitting diodes (LEDs) and photovoltaic devices. Although the significant impact of olefin geometry on the steady-state optical properties of PPVs has been extensively studied, PPVs with precise stereochemistry have yet to be investigated using nonlinear optical spectroscopy for quantum sensing, as well as light harvesting for biological applications. Herein, we report our investigation of the influence of olefin stereochemistry on both linear and nonlinear optical properties through the synthesis of all-cis and all-trans PPV copolymers. We performed two-photon absorption (TPA) using a classical and entangled light source and compared both classical TPA and entangled two-photon absorption (ETPA) cross sections of these stereodefined PPVs. Whereas the TPA cross section of the all-trans PPV was expectedly higher than that of all-cis PPV, presumably because of the larger transition dipole moment, the opposite trend was measured via ETPA, with the all-cis PPV exhibiting the highest ETPA cross section. DFT calculations suggest that this difference might stem from the interaction of entangled photons with lower-lying electronic states in the all-cis PPV variant. Additionally, we explored the photoinduced processes for both cis and trans PPVs through time-resolved fluorescence upconversion and femtosecond transient absorption techniques. This study revealed that the sensitivity of PPVs in two-photon absorption varies with classical versus quantum light and can be modulated through the control of the geometry of the repeating alkenes, which is a key stepping stone toward their use in quantum sensing, bioimaging, and the design of polymer-based light-harvesting systems.","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry. C","journal_issue":"6","journal_volume":"128","format":"Medium: X; Size: p. 2518-2528","authors":["Mandal, Haraprasad [Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States]","Ogunyemi, Olusayo J. [Department of Macromolecular Science & Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States] (ORCID:0009000411185634)","Nicholson, Jake L. [Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States]","Orr, Meghan E. [Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States]","Lalisse, Remy F. [Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States] (ORCID:0000000245565641)","Rentería-Gómez, Ángel [Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States]","Gogoi, Achyut R. [Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States] (ORCID:0000000276093720)","Gutierrez, Osvaldo [Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States] (ORCID:0000000181517519)","Michaudel, Quentin [Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States, Department of Materials Science and Engineering, Texas A&M University, College Station, Texas 77843, United States] (ORCID:0000000217919174)","Goodson, III, Theodore [Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States, Department of Macromolecular Science & Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States] (ORCID:0000000324532290)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Absorption","Absorption spectroscopy","Copolymers","Fluorescence","Light"],"article_type":"Published Article","doe_contract_number":"SC0022118","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Univ. of Michigan, Ann Arbor, MI (United States)"}],"research_orgs":["Univ. of Michigan, Ann Arbor, MI (United States)"],"journal_issn":"ISSN 1932-7447","other_identifiers":["Journal ID: ISSN 1932-7447"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305585"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305585"}]}, {"osti_id":"2283798","title":"Amortized simulation-based frequentist inference for tractable and intractable likelihoods","doi":"10.1088/2632-2153/ad218e","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Machine Learning: Science and Technology Journal Volume: 5 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n High-fidelity simulators that connect theoretical models with observations are indispensable tools in many sciences. If the likelihood is known, inference can proceed using standard techniques. However, when the likelihood is intractable or unknown, a simulator makes it possible to infer the parameters of a theoretical model directly from real and simulated observations when coupled with machine learning. We introduce an extension of the recently proposed likelihood-free frequentist inference (\n <monospace>LF2I<\/monospace>\n ) approach that makes it possible to construct confidence sets with the\n <italic>p<\/italic>\n -value function and to use the same function to check the coverage explicitly at any given parameter point. Like\n <monospace>LF2I<\/monospace>\n , this extension yields provably valid confidence sets in parameter inference problems for which a high-fidelity simulator is available. The utility of our algorithm is illustrated by applying it to three pedagogically interesting examples: the first is from cosmology, the second from high-energy physics and astronomy, both with tractable likelihoods, while the third, with an intractable likelihood, is from epidemiology\n <sup>3<\/sup>\n <fn id=\'mlstad218efn2\'>\n <label>3<\/label>\n <p>\n Code to reproduce all of our results is available on\n <ext-link ext-link-type=\'uri\' href=\'https://github.com/AliAlkadhim/ALFFI\' type=\'simple\'>https://github.com/AliAlkadhim/ALFFI<\/ext-link>\n .\n <\/p>\n <\/fn>\n .\n <\/p>","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"IOP Publishing","journal_name":"Machine Learning: Science and Technology","journal_issue":"1","journal_volume":"5","format":"Medium: X; Size: Article No. 015020","authors":["Al Kadhim, Ali (ORCID:0000000334908407)","Prosper, Harrison B.","Prosper, Olivia F."],"article_type":"Published Article","doe_contract_number":"SC0010102","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2632-2153","other_identifiers":["Journal ID: ISSN 2632-2153"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283798"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283798"}]}, {"osti_id":"2311215","title":"Incorporating energy justice throughout clean-energy R&D<sup>5<\/sup> in the United States: A review of outcomes and opportunities","report_number":"NREL/JA-7A40-85421","doi":"10.1016/j.crsus.2024.100018","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Cell Reports Sustainability Journal Volume: 1 Journal Issue: 2","description":"It is widely acknowledged that a successful clean-energy transition is instrumental to climate change mitigation. However, clean-energy researchers and engineers rarely address the degree to which the success and consequences of the transition depend on its incorporation of equity and justice principles. In this review, we draw on inter-related literatures to discuss failures resulting from equity-myopic approaches to clean-energy research, development, demonstration, deployment, dispatch, and disposal (R&D<sup>5<\/sup>) and explore opportunities, tools, and frameworks for energy practitioners to employ when attempting to incorporate justice into their work. We find that opportunities to incorporate energy justice are greatest at the earliest stages of the R&D<sup>5<\/sup> continuum. As inequities persist into later stages of R&D<sup>5<\/sup>, they may lead to maladaptive technology development and the inequitable impacts thereof. We thereby articulate how embedding principles of energy justice throughout R&D<sup>5<\/sup> not only enables a successful clean-energy transition but also ensures that the transition is sustainable.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Elsevier","journal_name":"Cell Reports Sustainability","journal_issue":"2","journal_volume":"1","format":"Medium: X; Size: Article No. 100018","authors":["Arkhurst, Bettina K. (ORCID:0000000168308317)","Hawthorne, Wendy","Ferrall-Wolf, Isa","Fu, Katherine","Anderson, Kate"],"subjects":["29 ENERGY PLANNING, POLICY, AND ECONOMY","clean-energy research and development","energy equity","energy justice","equity-myopic","inequity lock-in","maladaptive technologies"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 2949-7906","other_identifiers":["Journal ID: ISSN 2949-7906; S2949790624000041; 100018; PII: S2949790624000041"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311215"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311215"}]}, {"osti_id":"2283788","title":"Viral afterlife: SARS-CoV-2 as a reservoir of immunomimetic peptides that reassemble into proinflammatory supramolecular complexes","doi":"10.1073/pnas.2300644120","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 6","description":"<p>It is unclear how severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection leads to the strong but ineffective inflammatory response that characterizes severe Coronavirus disease 2019 (COVID-19), with amplified immune activation in diverse cell types, including cells without angiotensin-converting enzyme 2 receptors necessary for infection. Proteolytic degradation of SARS-CoV-2 virions is a milestone in host viral clearance, but the impact of remnant viral peptide fragments from high viral loads is not known. Here, we examine the inflammatory capacity of fragmented viral components from the perspective of supramolecular self-organization in the infected host environment. Interestingly, a machine learning analysis to SARS-CoV-2 proteome reveals sequence motifs that mimic host antimicrobial peptides (xenoAMPs), especially highly cationic human cathelicidin LL-37 capable of augmenting inflammation. Such xenoAMPs are strongly enriched in SARS-CoV-2 relative to low-pathogenicity coronaviruses. Moreover, xenoAMPs from SARS-CoV-2 but not low-pathogenicity homologs assemble double-stranded RNA (dsRNA) into nanocrystalline complexes with lattice constants commensurate with the steric size of Toll-like receptor (TLR)-3 and therefore capable of multivalent binding. Such complexes amplify cytokine secretion in diverse uninfected cell types in culture (epithelial cells, endothelial cells, keratinocytes, monocytes, and macrophages), similar to cathelicidin’s role in rheumatoid arthritis and lupus. The induced transcriptome matches well with the global gene expression pattern in COVID-19, despite using <0.3% of the viral proteome. Delivery of these complexes to uninfected mice boosts plasma interleukin-6 and CXCL1 levels as observed in COVID-19 patients.<\/p>","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-06T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"6","journal_volume":"121","format":"Medium: X","authors":["Zhang, Yue [Department of Bioengineering, University of California, Los Angeles, CA 90095, Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 9009, California NanoSystems Institute, University of California, Los Angeles, CA 90095, Department of Microbiology, Immunology &, Molecular Genetics, University of California, Los Angeles, CA 90095, Biomedical Engineering, School of Engineering, Westlake University, Hangzhou, Zhejiang 310012, China] (ORCID:0000000178228716)","Bharathi, Vanthana [University of North Carolina Blood Research Center, Department of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599]","Dokoshi, Tatsuya [Department of Dermatology, University of California San Diego, La Jolla, CA 92093] (ORCID:0000000336786781)","de Anda, Jaime [Department of Bioengineering, University of California, Los Angeles, CA 90095, Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 9009, California NanoSystems Institute, University of California, Los Angeles, CA 90095, Department of Microbiology, Immunology &, Molecular Genetics, University of California, Los Angeles, CA 90095] (ORCID:0000000321290775)","Ursery, Lauryn Tumey [University of North Carolina Blood Research Center, Department of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599]","Kulkarni, Nikhil N. [Department of Dermatology, University of California San Diego, La Jolla, CA 92093]","Nakamura, Yoshiyuki [Department of Dermatology, University of California San Diego, La Jolla, CA 92093] (ORCID:0000000301662658)","Chen, Jonathan [Department of Bioengineering, University of California, Los Angeles, CA 90095, Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 9009, California NanoSystems Institute, University of California, Los Angeles, CA 90095, Department of Microbiology, Immunology &, Molecular Genetics, University of California, Los Angeles, CA 90095]","Luo, Elizabeth W. C. [Department of Bioengineering, University of California, Los Angeles, CA 90095, Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 9009, California NanoSystems Institute, University of California, Los Angeles, CA 90095, Department of Microbiology, Immunology &, Molecular Genetics, University of California, Los Angeles, CA 90095]","Wang, Lamei [Division of Gastroenterology, Beth Israel Deaconess Medical Center, Harvard Medical School, Boston, MA 02215]","Xu, Hua [Division of Gastroenterology, Beth Israel Deaconess Medical Center, Harvard Medical School, Boston, MA 02215] (ORCID:0000000321452770)","Coady, Alison [Department of Pediatrics, School of Medicine, University of California San Diego, La Jolla, CA 92093]","Zurich, Raymond [Department of Pediatrics, School of Medicine, University of California San Diego, La Jolla, CA 92093]","Lee, Michelle W. [Department of Bioengineering, University of California, Los Angeles, CA 90095, Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 9009, California NanoSystems Institute, University of California, Los Angeles, CA 90095, Department of Microbiology, Immunology &, Molecular Genetics, University of California, Los Angeles, CA 90095] (ORCID:0000000316139501)","Matsui, Tsutomu [Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Stanford University, Menlo Park, CA 94025]","Lee, HongKyu [Division of Molecular Medicine, Harbor-University of California Los Angeles Medical Center, Los Angeles County, Torrance, CA 90502]","Chan, Liana C. [Division of Molecular Medicine, Harbor-University of California Los Angeles Medical Center, Los Angeles County, Torrance, CA 90502, Division of Infectious Diseases, Harbor-University of California Los Angeles Medical Center, Los Angeles County, Torrance, CA 90502, Department of Medicine, David Geffen School of Medicine, University of California, Los Angeles, CA 90095, Institute for Infection &, Immunity, Lundquist Institute for Biomedical Innovation, Harbor-University of California Los Angeles Medical Center, Torrance, CA 90502] (ORCID:0000000325674418)","Schepmoes, Athena A. [Environmental Molecular Science Division, Pacific Northwest National Laboratory, Richland, WA 99354]","Lipton, Mary S. [Environmental Molecular Science Division, Pacific Northwest National Laboratory, Richland, WA 99354]","Zhao, Rui [Environmental Molecular Science Division, Pacific Northwest National Laboratory, Richland, WA 99354]","Adkins, Joshua N. [Biological Science Division, Pacific Northwest National Laboratory, Richland, WA 99354]","Clair, Geremy C. [Biological Science Division, Pacific Northwest National Laboratory, Richland, WA 99354] (ORCID:0000000304788520)","Thurlow, Lance R. [Division of Oral and Craniofacial Health Sciences, Adams School of Dentistry, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, Department of Microbiology and Immunology, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599]","Schisler, Jonathan C. [McAllister Heart Institute, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, Department of Pharmacology, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, Computational Medicine Program, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599]","Wolfgang, Matthew C. [Department of Microbiology and Immunology, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, Marsico Lung Institute, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599] (ORCID:0000000345346470)","Hagan, Robert S. [Marsico Lung Institute, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, Division of Pulmonary Diseases and Critical Care Medicine, Department of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599]","Yeaman, Michael R. [Division of Molecular Medicine, Harbor-University of California Los Angeles Medical Center, Los Angeles County, Torrance, CA 90502, Division of Infectious Diseases, Harbor-University of California Los Angeles Medical Center, Los Angeles County, Torrance, CA 90502, Department of Medicine, David Geffen School of Medicine, University of California, Los Angeles, CA 90095, Institute for Infection &, Immunity, Lundquist Institute for Biomedical Innovation, Harbor-University of California Los Angeles Medical Center, Torrance, CA 90502] (ORCID:0000000294685252)","Weiss, Thomas M. [Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Stanford University, Menlo Park, CA 94025]","Chen, Xinhua [Division of Gastroenterology, Beth Israel Deaconess Medical Center, Harvard Medical School, Boston, MA 02215]","Li, Melody M. H. [Department of Microbiology, Immunology &, Molecular Genetics, University of California, Los Angeles, CA 90095]","Nizet, Victor [Department of Pediatrics, School of Medicine, University of California San Diego, La Jolla, CA 92093] (ORCID:0000000338470422)","Antoniak, Silvio [Department of Pathology and Laboratory Medicine, University of North Carolina Blood Research Center, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599] (ORCID:000000015523825X)","Mackman, Nigel [University of North Carolina Blood Research Center, Department of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599]","Gallo, Richard L. [Department of Dermatology, University of California San Diego, La Jolla, CA 92093]","Wong, Gerard C. L. [Department of Bioengineering, University of California, Los Angeles, CA 90095, Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 9009, California NanoSystems Institute, University of California, Los Angeles, CA 90095, Department of Microbiology, Immunology &, Molecular Genetics, University of California, Los Angeles, CA 90095] (ORCID:0000000308936383)"],"article_type":"Published Article","doe_contract_number":"AC02-76SF00515; P30GM133894; AC05-76RL01830","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2300644120"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283788"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283788"}]}, {"osti_id":"2283596","title":"What Can We Learn about the Unstable Equation-of-state Branch from Neutron Star Mergers?","doi":"10.3847/2041-8213/ad2072","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal. Letters Journal Volume: 962 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n The equation of state (EOS) of dense strongly interacting matter can be probed by astrophysical observations of neutron stars (NS), such as X-ray detections of pulsars or the measurement of the tidal deformability of NSs during the inspiral stage of NS mergers. These observations constrain the EOS at most up to the density of the maximum-mass configuration,\n <italic>n<\/italic>\n <sub>TOV<\/sub>\n , which is the highest density that can be explored by stable NSs for a given EOS. However, under the right circumstances, binary neutron star (BNS) mergers can create a postmerger remnant that explores densities above\n <italic>n<\/italic>\n <sub>TOV<\/sub>\n . In this work, we explore whether the EOS above\n <italic>n<\/italic>\n <sub>TOV<\/sub>\n can be measured from gravitational-wave or electromagnetic observations of the postmerger remnant. We perform a total of 25 numerical-relativity simulations of BNS mergers for a range of EOSs and find no case in which different descriptions of the matter above\n <italic>n<\/italic>\n <sub>TOV<\/sub>\n have a detectable impact on postmerger observables. Hence, we conclude that the EOS above\n <italic>n<\/italic>\n <sub>TOV<\/sub>\n can likely not be probed through BNS merger observations for the current and next generation of detectors.\n <\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal. Letters","journal_issue":"1","journal_volume":"962","format":"Medium: X; Size: Article No. L3","authors":["Ujevic, Maximiliano (ORCID:0000000328694449)","Somasundaram, Rahul (ORCID:0000000304273893)","Dietrich, Tim (ORCID:000000032374307X)","Margueron, Jerome","Tews, Ingo (ORCID:0000000326566355)"],"article_type":"Published Article","doe_contract_number":"AC52-06NA25396","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-8205","other_identifiers":["Journal ID: ISSN 2041-8205"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283596"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283596"}]}, {"osti_id":"2322563","title":"KCS supergene fasta files, PDB files, and presence absence matrix for genotypes referenced in (pub DOI)","doi":"10.25983/2322563","product_type":"Dataset","language":"English","country_publication":"United States","description":"KCS supergene fasta files, PDB files, and presence absence matrix for genotypes","publication_date":"2024-03-30T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","authors":["Garvin, Michael [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]"],"subjects":["Populus Trichocarpa KCS locus, supergene"],"doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER). Biological Systems Science (BSS)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER). Biological Systems Science (BSS)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2322563"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2322563"},{"rel":"citation_doe_dataexplorer","href":"https://www.osti.gov/dataexplorer/biblio/dataset/2322563"}]}, {"osti_id":"2293654","title":"Striated composite layers of silica and hafnia offering advantageous properties for short-pulse optical coatings","doi":"10.1364/oe.507821","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optics Express; Journal Volume: 32; Journal Issue: 4","description":"Monolayers containing subnanometer striations of silica and hafnia to form composite materials at varying ratios are explored as a method to develop high-index dielectric layers with increased laser-induced–damage thresholds (LIDTs). These layers can then be used in multilayer dielectric coatings for short-pulse, high-peak-power laser applications, particularly in regions of the highest electric-field intensity. Fabrication is achieved by means of exposure to two different evaporant vapor plumes, where local exposure to each plume is controlled via shielding to prevent simultaneous exposure. The LIDT of the resulting layers has been evaluated at 1053 nm with 600-fs pulses. The results indicate that such hafnia/silica layers exhibit LIDTs similar to silica for a refractive index of ≤1.65. These results suggest that the use of these layers in locations subjected to high electric-field intensity within multilayer dielectric coatings may significantly improve the LIDT, with this deposition process providing particular benefit for scaling to large-aperture, high-fluence components.","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Optical Society of America (OSA)","journal_name":"Optics Express","journal_issue":"4","journal_volume":"32","format":"Medium: ED; Size: p. 5729-5736","authors":["Oliver, James. B. [University of Rochester, NY (United States); Vacuum Innovations, Dansville, NY (United States)]","Kozlov, Alexei. A. [University of Rochester, NY (United States)]","Spaulding, John [University of Rochester, NY (United States)]","Smith, Chris [University of Rochester, NY (United States)]","MacNally, Sara [University of Rochester, NY (United States)]","Kafka, Kyle R. P. [University of Rochester, NY (United States)] (ORCID:0000000254460622)","Rigatti, Amy L. [University of Rochester, NY (United States)] (ORCID:0009000797239905)","Demos, Stavros G. [University of Rochester, NY (United States)] (ORCID:0000000271307398)"],"subjects":["36 MATERIALS SCIENCE"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003856","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Univ. of Rochester, NY (United States)"}],"research_orgs":["Univ. of Rochester, NY (United States)"],"journal_issn":"ISSN 1094-4087","other_identifiers":["Journal ID: ISSN 1094-4087"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2293654"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2293654"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2293654"}]}, {"osti_id":"2311293","title":"Generative $β$-hairpin design using a residue-based physicochemical property landscape","doi":"10.1016/j.bpj.2024.01.029","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Biophysical Journal; Journal Volume: 123","description":"De novo peptide design is a new frontier that has broad application potential in the biological and biomedical fields. Most existing models for de novo peptide design are largely based on sequence homology that can be restricted based on evolutionarily derived protein sequences and lack the physicochemical context essential in protein folding. Generative machine learning for de novo peptide design is a promising way to synthesize theoretical data that are based on, but unique from, the observable universe. In this study, we created and tested a custom peptide generative adversarial network intended to design peptide sequences that can fold into the -hairpin secondary structure. This deep neural network model is designed to establish a preliminary foundation of the generative approach based on physicochemical and conformational properties of 20 canonical amino acids, for example, hydrophobicity and residue volume, using extant structure-specific sequence data from the PDB. The beta generative adversarial network model robustly distinguishes secondary structures of hairpin from α helix and intrinsically disordered peptides with an accuracy of up to 96% and generates artificial -hairpin peptide sequences with minimum sequence identities around 31% and 50% when compared against the current NCBI PDB and nonredundant databases, respectively. These results highlight the potential of generative models specifically anchored by physicochemical and conformational property features of amino acids to expand the sequence-to-structure landscape of proteins beyond evolutionary limits.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Elsevier","journal_name":"Biophysical Journal","journal_volume":"123","format":"Medium: ED; Size: p. 1-17","authors":["Satalkar, Vardhan [Georgia Institute of Technology, Atlanta, GA (United States)]","Degaga, Gemechis D. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Li, Wei [Georgia Institute of Technology, Atlanta, GA (United States)]","Pang, Yui Tik [Georgia Institute of Technology, Atlanta, GA (United States)]","McShan, Andrew C. [Georgia Institute of Technology, Atlanta, GA (United States)]","Gumbart, James C. [Georgia Institute of Technology, Atlanta, GA (United States)]","Mitchell, Julie C. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Torres, Matthew P. [Georgia Institute of Technology, Atlanta, GA (United States)] (ORCID:0000000172964536)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Generative Protein Design","Molecular Dynamics","Physicochemical properties"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; 1764406; R01-GM148586; ACI-1548562; 1828187; TG-MCB130173","orgs_sponsor":[{"name":"USDOE"},{"name":"National Science Foundation (NSF)"},{"name":"Simons Foundation"},{"name":"National Institutes of Health (NIH)"},{"name":"Extreme Science and Engineering Discovery Environment (XSEDE)"}],"sponsor_orgs":["USDOE","National Science Foundation (NSF)","Simons Foundation","National Institutes of Health (NIH)","Extreme Science and Engineering Discovery Environment (XSEDE)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0006-3495","other_identifiers":["Journal ID: ISSN 0006-3495"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311293"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2311293"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311293"}]}, {"osti_id":"2311317","title":"Unbiased particle conformation extraction from scattering spectra using orthonormal basis expansions","doi":"10.1107/s1600576723011147","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Applied Crystallography (Online); Journal Volume: 57; Journal Issue: 1","description":"A strategy is outlined for quantitatively evaluating the particle density profiles from small-angle scattering spectra of dilute solutions. The approach employs an orthonormal basis function expansion method, enabling the determination of characteristic mass distributions in self-assembled structures without the need for a specific structural model. Through computational benchmarking, the efficacy of this approach is validated by effectively reconstructing the density profile of soft-ball systems with varying fuzziness from their scattering signatures. Further, the feasibility of the method is demonstrated by fitting small-angle neutron scattering data obtained from Pluronic L64 micelles at different temperatures. This proposed approach is both simple and analytical, eliminating the requirement for a presumptive structural model in scattering analysis. The new method could therefore facilitate quantitative descriptions of complex nanoscopic structures inherent to numerous soft-matter systems using small-angle scattering techniques.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"International Union of Crystallography","journal_name":"Journal of Applied Crystallography (Online)","journal_issue":"1","journal_volume":"57","format":"Medium: ED; Size: p. 140-150","authors":["Huang, Guan-Rong [National Sun Yat-sen University, Kaohsiung (Taiwan)] (ORCID:0000000163939574)","Wang, Yangyang [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000170429804)","Shinohara, Yuya [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000018284751X)","Porcar, Lionel [Inst. Laue-Langevin (ILL), Grenoble (France)]","Do, Changwoo [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000183588417)","Heller, William T. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000164562975)","Chen, Wei-Ren [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]"],"subjects":["36 MATERIALS SCIENCE","small-angle scattering","orthonormal basis expansion","particle density profiles","soft-matter systems"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)"],"journal_issn":"ISSN 1600-5767","other_identifiers":["Journal ID: ISSN 1600-5767"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311317"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311317"}]}, {"osti_id":"2309832","title":"Rapid neutron star cooling triggered by dark matter","doi":"10.1093/mnras/stae337","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 528 Journal Issue: 4","description":"<title>ABSTRACT<\/title>\n <p>We study the effect of asymmetric fermionic dark matter (DM) on the thermal evolution of neutron stars (NSs). No interaction between DM and baryonic matter is assumed, except the gravitational one. Using the two-fluid formalism, we show that DM accumulated in the core of a star pulls inwards the outer baryonic layers of the star, increasing the baryonic density in the NS core. As a result, it significantly affects the star’s thermal evolution by triggering an early onset of the direct Urca (DU) process and modifying the photon emission from the surface caused by the decrease of the radius. Thus, due to the gravitational pull of DM, the DU process becomes kinematically allowed for stars with lower masses. Based on these results, we discuss the importance of NS observations at different distances from the Galactic Centre. Since the DM distribution peaks towards the Galactic Centre, NSs in this region are expected to contain higher DM fractions that could lead to a different cooling behavior.<\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-21T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"4","journal_volume":"528","format":"Medium: X; Size: p. 6319-6328","authors":["Ávila, Afonso (ORCID:000000028880039X)","Giangrandi, Edoardo (ORCID:000000019545466X)","Sagun, Violetta (ORCID:0000000158541617)","Ivanytskyi, Oleksii (ORCID:0000000249478721)","Providência, Constança (ORCID:0000000164648023)"],"article_type":"Published Article","doe_contract_number":"UIDP/04564/2020; UIDB/04564/2020; 10.54499/UIDP/04564/2020; 10.54499/UIDB/04564/2020; PRT/BD/152267/2021; 2022.06460.PTDC; 10.54499/2022.06460.PTDC","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE), Nuclear Fuel Cycle and Supply Chain"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE), Nuclear Fuel Cycle and Supply Chain"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2309832"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2309832"}]}, {"osti_id":"2248099","title":"Good fences make good neighbors: Stakeholder perspectives on the local benefits and burdens of large-scale solar energy development in the United States","doi":"10.1016/j.erss.2023.103375","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Energy Research and Social Science Journal Volume: 108 Journal Issue: C","description":"In order to meet decarbonization goals, the number of large-scale solar (LSS) facilities in the US is expected to increase considerably. The advantages of LSS over fossil-fueled power generation are numerous and well documented. However, residents living nearby proposed and existing LSS sites have voiced a number of concerns about LSS, including its possible impacts to farmland and agricultural production, biodiversity, stormwater runoff, home and property values, as well as concerns about solar panels\' toxicity and safety. While rapid expansion of LSS currently relies on officials permitting and residents being willing to host these systems, the appetite for LSS in some communities may be waning. Here we examine the perceived benefits and burdens of recent LSS developments, conducting 54 interviews with a broad set of stakeholders including residents, officials and developers at seven LSS sites across the US. We focus on identifying residents\' most common concerns regarding LSS systems across states, site types, landscapes and ownership structures. We find concerns are associated with either LSS development processes or impacts, and center on the type and amount of information provided, the community\'s influence over project design, the efficacy of community subscription efforts, as well as projects\' economic, environmental, and visual and landscape impacts. Importantly, we also investigate strategies that have been employed to improve perceptions and project outcomes, which include increasing in-person engagement, more explicit discussion of project tradeoffs, third-party intermediaries acting as community champions, and explicit requirements for meaningful local economic benefits.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Elsevier","journal_name":"Energy Research and Social Science","journal_issue":"C","journal_volume":"108","format":"Medium: X; Size: Article No. 103375","authors":["Bessette, Douglas L.","Hoen, Ben","Rand, Joseph","Hoesch, Karl","White, Jacob","Mills, Sarah B.","Nilson, Robi"],"subjects":["14 SOLAR ENERGY","Large-scale solar","Community acceptance","Stakeholder engagement","Viewshed","Landscape","Impacts"],"article_type":"Published Article","doe_contract_number":"38419; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 2214-6296","other_identifiers":["Journal ID: ISSN 2214-6296; S2214629623004358; 103375; PII: S2214629623004358"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2248099"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2248099"}]}, {"osti_id":"2283854","title":"From wolves to humans: oral microbiome resistance to transfer across mammalian hosts","doi":"10.1128/mbio.03342-23","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: mBio (Online); Journal Volume: 15; Journal Issue: 2","description":"The mammalian mouth is colonized by complex microbial communities, adapted to specific niches, and in homeostasis with the host. Individual microbes interact metabolically and rely primarily on nutrients provided by the host, with which they have potentially co-evolved along the mammalian lineages. The oral environment is similar across mammals, but the diversity, specificity, and evolution of community structure in related or interacting mammals are little understood. Here, we compared the oral microbiomes of dogs with those of wild wolves and humans. In dogs, we found an increased microbial diversity relative to wolves, possibly related to the transition to omnivorous nutrition following domestication. This includes a larger diversity of Patescibacteria than previously reported in any other oral microbiota. The oral microbes are most distinct at bacterial species or strain levels, with few if any shared between humans and canids, while the close evolutionary relationship between wolves and dogs is reflected by numerous shared taxa. More taxa are shared at higher taxonomic levels including with humans, supporting their more ancestral common mammalian colonization followed by diversification. Phylogenies of selected oral bacterial lineages do not support stable human-dog microbial transfers but suggest diversification along mammalian lineages (apes and canids). Therefore, despite millennia of cohabitation and close interaction, the host and its native community controls and limits the assimilation of new microbes, even if closely related. Higher resolution metagenomic and microbial physiological studies, covering a larger mammalian diversity, should help understand how oral communities assemble, adapt, and interact with their hosts.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"American Society for Microbiology (ASM)","journal_name":"mBio (Online)","journal_issue":"2","journal_volume":"15","format":"Medium: ED; Size: p. 1-20","authors":["Podar, Nicholas A. [Vanderbilt University, Nashville, TN (United States)]","Carrell, Alyssa A. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000311424709)","Cassidy, Kira A. [U.S. National Park Service (NPS), Yellowstone National Park, WY (United States). Yellowstone Center for Resources]","Klingeman, Dawn M. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Yang, Zamin [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Stahler, Erin A. [U.S. National Park Service (NPS), Yellowstone National Park, WY (United States). Yellowstone Center for Resources]","Smith, Douglas W. [U.S. National Park Service (NPS), Yellowstone National Park, WY (United States). Yellowstone Center for Resources]","Stahler, Daniel R. [U.S. National Park Service (NPS), Yellowstone National Park, WY (United States). Yellowstone Center for Resources]","Podar, Mircea [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000327760205)"],"subjects":["59 BASIC BIOLOGICAL SCIENCES","oral microbiome","microbiome evolution","nonhuman microbiota","host-pathogen interactions","host adaptation"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; R01DE024463","orgs_sponsor":[{"name":"USDOE"},{"name":"National Institutes of Health (NIH)"}],"sponsor_orgs":["USDOE","National Institutes of Health (NIH)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2150-7511","other_identifiers":["Journal ID: ISSN 2150-7511"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283854"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2283854"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283854"}]}, {"osti_id":"2283802","title":"Quantitative comparison of power production and power quality onshore and offshore: a case study from the eastern United States","doi":"10.5194/wes-9-263-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Wind Energy Science (Online) Journal Volume: 9 Journal Issue: 1","description":"<p>Abstract. A major issue in quantifying potential power generation from prospective wind energy sites is the lack of observations from heights relevant to modern wind turbines, particularly for offshore where blade tip heights are projected to increase beyond 250 m. We present analyses of uniquely detailed data sets from lidar (light detection and ranging) deployments in New York State and on two buoys in the adjacent New York Bight to examine the relative power generation potential and power quality at these on- and offshore locations. Time series of 10 min wind power production are computed from these wind speeds using the power curve from the International Energy Agency 15 MW reference wind turbine. Given the relatively close proximity of these lidar deployments, they share a common synoptic-scale meteorology and seasonal variability with lowest wind speeds in July and August. Time series of power production from the on- and offshore location are highly spatially correlated with the Spearman rank correlation coefficient dropping below 0.4 for separation distances of approximately 350 km. Hence careful planning of on- and offshore wind farms (i.e., separation of major plants by > 350 km) can be used reduce the system-wide probability of low wind energy power production. Energy density at 150 m height at the offshore buoys is more than 40 % higher, and the Weibull scale parameter is 2 m s−1 higher than at all but one of the land sites. Analyses of power production time series indicate annual energy production is almost twice as high for the two offshore locations. Further, electrical power production quality is higher from the offshore sites that exhibit a lower amplitude of diurnal variability, plus a lower probability of wind speeds below the cut-in and of ramp events of any magnitude. Despite this and the higher resource, the estimated levelized cost of energy (LCoE) is higher from the offshore sites mainly due to the higher infrastructure costs. Nonetheless, the projected LCoE is highly competitive from all sites considered.<\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Wind Energy Science (Online)","journal_issue":"1","journal_volume":"9","format":"Medium: X; Size: p. 263-280","authors":["Foody, Rebecca","Coburn, Jacob (ORCID:0000000309538117)","Aird, Jeanie A.","Barthelmie, Rebecca J. (ORCID:0000000304036046)","Pryor, Sara C. (ORCID:0000000348473440)"],"article_type":"Published Article","doe_contract_number":"SC0016605","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2366-7451","other_identifiers":["Journal ID: ISSN 2366-7451"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283802"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283802"}]}, {"osti_id":"2228994","title":"Commercial wind turbines and residential home values: New evidence from the universe of land-based wind projects in the United States","doi":"10.1016/j.enpol.2023.113837","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Energy Policy Journal Volume: 185 Journal Issue: C","description":"We examine the impact of proximity to land-based commercial wind turbines on residential home values in the United States using data on the universe of commercial wind turbines and residential property transactions from 2005 to 2020. Using event study and difference-in-differences identification strategies we find that, on average, homes located within 1 mile of a commercial wind turbine experience approximately an 11% decline in value following the announcement of a new commercial wind energy project, relative to counterfactual homes located 3 to 5 miles away. Event study estimates also reveal important dynamics in the evolution of home values, with property values first declining following project announcement, and then recovering post project construction, with property value impacts becoming relatively small (~2%) and statistically insignificant 9 years or more after project announcement (roughly 5 years after operation began). Homes located within 1–2 miles of a commercial wind turbine experience much smaller impacts and homes located farther than 2 miles away are unaffected. Our results are primarily driven by wind projects located in urban counties with populations greater than 250,000.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2023-12-22T00:00:00Z","publisher":"Elsevier","journal_name":"Energy Policy","journal_issue":"C","journal_volume":"185","format":"Medium: X; Size: Article No. 113837","authors":["Brunner, Eric J.","Hoen, Ben (ORCID:0000000295125572)","Rand, Joe","Schwegman, David (ORCID:0000000182547111)"],"subjects":["17 WIND ENERGY","29 ENERGY PLANNING, POLICY, AND ECONOMY","Wind turbines","House price capitalization","Externalities","Property values","Hedonic"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Wind Energy Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Wind Energy Technologies Office"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 0301-4215","other_identifiers":["Journal ID: ISSN 0301-4215; S0301421523004226; 113837; PII: S0301421523004226"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2228994"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2228994"}]}, {"osti_id":"2311239","title":"Nonreciprocal Coulomb drag between quantum wires in the quasi-one-dimensional regime","report_number":"SAND-2024-01625J","doi":"10.1103/physrevb.109.085101","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. B; Journal Volume: 109; Journal Issue: 8","description":"Coulomb drag experiments have been an essential tool to study strongly interacting low-dimensional systems. Historically, this effect has been explained in terms of momentum transfer between electrons in the active and the passive layer. We report Coulomb drag measurements between laterally coupled GaAs/AlGaAs quantum wires in the multiple one-dimensional (1D) sub-band regime that break Onsager\'s reciprocity upon both layer and current direction reversal, in contrast to prior 1D Coulomb drag results. The drag signal shows nonlinear current-voltage (I-V) characteristics, which are well characterized by a third-order polynomial fit. These findings are qualitatively consistent with a rectified drag signal induced by charge fluctuations. However, the nonmonotonic temperature dependence of this drag signal suggests that strong electron-electron interactions, expected within the Tomonaga-Luttinger liquid framework, remain important and standard interaction models are insufficient to capture the qualitative nature of rectified 1D Coulomb drag.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. B","journal_issue":"8","journal_volume":"109","format":"Medium: ED; Size: Article No. 085101","authors":["Makaju, Rebika [University of Florida, Gainesville, FL (United States)]","Kassar, Hafsa [University of Florida, Gainesville, FL (United States)]","Daloglu, Sabahattin Mert [University of Florida, Gainesville, FL (United States)]","Huynh, Anna [University of Florida, Gainesville, FL (United States)]","Laroche, Dominique [University of Florida, Gainesville, FL (United States)]","Levchenko, Alex [University of Wisconsin, Madison, WI (United States)]","Addamane, Sadhvikas Jayachandra [Sandia National Laboratory (SNL-NM), Albuquerque, NM (United States). Center for Integrated Nanotechnologies]"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY","mesoscopics","quantum transport","quantum wires","Luttinger liquid model"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525; DMR-1644779; DMR-2203411","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE National Nuclear Security Administration (NNSA)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 2469-9950","other_identifiers":["Journal ID: ISSN 2469-9950"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311239"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311239"}]}, {"osti_id":"2263392","title":"Hadrons, superconductor vortices, and cosmological constant","report_number":"DOE-UKY-13065-2302.11600","doi":"10.1016/j.physletb.2023.138418","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Physics Letters. B Journal Volume: 849 Journal Issue: C","description":"We explore the roles of the trace anomaly in several hadron properties. We derive the scale invariant expression for the pressure from the gravitational form factors (GFF) of QCD which results in consistent results for the mass and rest energy from the GFF and those from the trace and the Hamiltonian of the energy-momentum tensor (EMT) operators. It is shown that the energy-equilibrium correspondence of hadrons infers an equation of state where the trace anomaly matrix element, emerging from the glue condensate in the vacuum, gives a negative constant pressure that leads to confinement, much like the confinement mechanism for the vortices in type II superconductors where the negative constant pressure is due to the cost of depleting the superconducting condensate. We also note that both the trace anomaly in the QCD energy-momentum tensor and the cosmological constant in Einstein\'s equation are associated with the metric term which contributes to both energy and pressure. Their difference in terms of the role the pressure plays is discussed. Finally, we note that a lattice calculation of the trace anomaly distribution in the pion has addressed a question about the trace anomaly contribution to the pion mass and suggests that there might be a connection between the conformal symmetry breaking and chiral symmetry breaking in this case.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Elsevier","journal_name":"Physics Letters. B","journal_issue":"C","journal_volume":"849","format":"Medium: X; Size: Article No. 138418","authors":["Liu, Keh-Fei (ORCID:0000000289438011)"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS","72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","pi: mass","tensor: energy-momentum","symmetry breaking: conformal","form factor: gravitation","symmetry breaking: chiral","trace anomaly","hadron","cosmological constant","vortex confinement","gluon: condensation","quantum chromodynamics","superconductivity","pressure","lattice","Einstein equation"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725; AC05-06OR23177; SC0013065; ACI-1053575","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Univ. of Kentucky, Lexington, KY (United States)"}],"research_orgs":["Univ. of Kentucky, Lexington, KY (United States)"],"journal_issn":"ISSN 0370-2693","other_identifiers":["Journal ID: ISSN 0370-2693; S0370269323007517; 138418; PII: S0370269323007517"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2263392"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2263392"}]}, {"osti_id":"2281301","title":"The multivariate interaction between Au and TiO\n <sub>2<\/sub>\n colloids: the role of surface potential, concentration, and defects","report_number":"LLNL-JRNL-844847","doi":"10.1039/D3NR06205H","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nanoscale Journal Volume: 16 Journal Issue: 5","description":"The established DLVO theory explains colloidal stability by the electrostatic repulsion between electrical double layers. While the routinely measured zeta potential can estimate the charges of double layers, it is only an average surface property which might deviate from the local environment. Moreover, other factors such as the ionic strength and the presence of defects should also be considered. To investigate this multivariate problem, here we model the interaction between a negatively charged Au particle and a negatively charged TiO<sub>2<\/sub> surface containing positive/neutral defects (e.g. surface hydroxyls) based on the finite element method, over 6000 conditions of these 6 parameters: V<sub>Part<\/sub> (particle potential), V<sub>Surf <\/sub>(surface potential), V<sub>Def<\/sub> (defect potential), DD (defect density), Conc (salt concentration), and R (particle radius). Using logistic regression, the relative importance of these factors is determined: V<sub>Surf<\/sub> > V<sub>Part<\/sub> > DD > Conc > R > V<sub>Def<\/sub>, which agrees with the conventional wisdom that the surface (and zeta) potential is indeed the most decisive descriptor for colloidal interactions, and the salt concentration is also important for charge screening. However, when defects are present, it appears that their density is more influential than their potential. To predict the fate of interactions more confidently with all the factors, we train a support vector machine (SVM) with the simulation data, which achieves 97% accuracy in determining whether adsorption is favorable on the support. The trained SVM including a graphical user interface for querying the prediction is freely available online for comparing with other materials and models. We anticipate that our model can stimulate further colloidal studies examining the importance of the local environment, while simultaneously considering multiple factors.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Nanoscale","journal_issue":"5","journal_volume":"16","format":"Medium: X; Size: p. 2552-2564","authors":["Lau, Kinran [Technical Chemistry I, University of Duisburg-Essen and Center for Nanointegration Duisburg-Essen (CENIDE), Essen, Germany] (ORCID:0009000432834226)","Giera, Brian [Center for Engineered Materials and Manufacturing, Lawrence Livermore National Laboratory, California, USA] (ORCID:0000000165437498)","Barcikowski, Stephan [Technical Chemistry I, University of Duisburg-Essen and Center for Nanointegration Duisburg-Essen (CENIDE), Essen, Germany] (ORCID:0000000297397272)","Reichenberger, Sven [Technical Chemistry I, University of Duisburg-Essen and Center for Nanointegration Duisburg-Essen (CENIDE), Essen, Germany] (ORCID:0000000271669428)"],"subjects":["71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS","36 MATERIALS SCIENCE","97 MATHEMATICS AND COMPUTING"],"article_type":"Published Article","doe_contract_number":"AC52-07-NA27344; LLNL-JRNL-844847; AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"German Research Foundation (DFG)"},{"name":"International Max Planck Research School for Interface Controlled Materials for Energy Conversion (IMPRS-SurMat)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","German Research Foundation (DFG)","International Max Planck Research School for Interface Controlled Materials for Energy Conversion (IMPRS-SurMat)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 2040-3364","other_identifiers":["Journal ID: ISSN 2040-3364; NANOHL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281301"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281301"}]}, {"osti_id":"2317734","title":"Capturing CO<sub>2<\/sub> in Quadrupolar Binding Pockets: Broadband Microwave Spectroscopy of Pyrimidine-(CO<sub>2<\/sub>)<em><sub>n<\/sub><\/em>, <em>n<\/em> = 1,2","report_number":"SAND-2024-02429J","doi":"10.1021/acs.jpca.3c07930","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory; Journal Volume: 128; Journal Issue: 6","description":"Pyrimidine has two in-plane CH(δ+)/N̈(δ–)/CH(δ+) binding sites that are complementary to the (δ–/2δ+/δ–) quadrupole moment of CO<sub>2<\/sub>. For this study, we recorded broadband microwave spectra over the 7.5–17.5 GHz range for pyrimidine-(CO<sub>2<\/sub>)<sub>n<\/sub> with n = 1 and 2 formed in a supersonic expansion. Based on fits of the rotational transitions, including nuclear hyperfine splitting due to the two <sup>14<\/sup>N nuclei, we have assigned 313 hyperfine components across 105 rotational transitions for the n = 1 complex and 208 hyperfine components across 105 rotational transitions for the n = 2 complex. The pyrimidine-CO<sub>2<\/sub> complex is planar, with CO<sub>2<\/sub> occupying one of the quadrupolar binding sites, forming a structure in which the CO<sub>2<\/sub> is stabilized in the plane by interactions with the C–H hydrogens adjacent to the nitrogen atom. This structure is closely analogous to that of the pyridine-CO<sub>2<\/sub> complex studied previously by (Doran, J. L. J. Mol. Struct. 2012, 1019, 191–195). The fit to the n = 2 cluster gives rotational constants consistent with a planar cluster of C<sub>2v<\/sub> symmetry in which the second CO<sub>2<\/sub> molecule binds in the second quadrupolar binding pocket on the opposite side of the ring. The calculated total binding energy in pyrimidine-CO<sub>2<\/sub> is –13.7 kJ mol<sup>–1<\/sup>, including corrections for basis set superposition error and zero-point energy, at the CCSD(T)/ 6-311++G(3df,2p) level, while that in pyrimidine-(CO<sub>2<\/sub>)<sub>2<\/sub> is almost exactly double that size, indicating little interaction between the two CO<sub>2<\/sub> molecules in the two binding sites. The enthalpy, entropy, and free energy of binding are also calculated at 300 K within the harmonic oscillator/rigid-rotor model. This model is shown to lack quantitative accuracy when it is applied to the formation of weakly bound complexes.","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory","journal_issue":"6","journal_volume":"128","format":"Medium: ED; Size: p. 1124-1133","authors":["Welsh, Blair Augustine [Sandia National Lab. (SNL-CA), Livermore, CA (United States)]","Urbina Bucheli, Andres S. [Purdue Univ., West Lafayette, IN (United States)] (ORCID:0000000164824736)","Ho, Tuan Ahn [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000281291027)","Rempe, Susan L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000316232108)","Slipchenko, Lyudmila V. [Purdue Univ., West Lafayette, IN (United States)] (ORCID:0000000204452990)","Zwier, Timothy S. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)] (ORCID:0000000244685748)"],"subjects":["chemical calculations","electromagnetic radiation","interaction energies","molecules","pyrimidine"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-CA), Livermore, CA (United States)"}],"research_orgs":["Sandia National Lab. (SNL-CA), Livermore, CA (United States)"],"journal_issn":"ISSN 1089-5639","other_identifiers":["Journal ID: ISSN 1089-5639"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317734"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317734"}]}, {"osti_id":"2282200","title":"Managing potential environmental and human health risks of lead halide perovskite photovoltaic modules","report_number":"SAND-2024-00691J","doi":"10.1016/j.solener.2024.112337","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Solar Energy Journal Volume: 269 Journal Issue: C","description":"Perovskite solar cells (PSCs) are emerging photovoltaic (PV) technologies capable of matching power conversion efficiencies (PCEs) of current PV technologies in the market at lower manufacturing costs, making perovskite solar modules (PSMs) cost competitive if manufactured at scale and perform with minimal degradation. PSCs with the highest PCEs, to date, are lead halide perovskites. Lead presents potential environmental and human health risks if PSMs are to be commercialized, as the lead in PSMs are more soluble in water compared to other PV technologies. Therefore, prior to commercialization of PSMs, it is important to highlight, identify, and establish the potential environmental and human health risks of PSMs as well as develop methods for assessing the potential risks. Here, we identify and discuss a variety of international standards, U.S. regulations, and permits applicable to PSM deployment that relate to the potential environmental and human health risks associated with PSMs. The potential risks for lead and other hazardous material exposures to humans and the environment are outlined which include water quality, air quality, human health, wildlife, land use, and soil contamination, followed by examples of how developers of other PV technologies have navigated human health and environmental risks previously. Potential experimentation, methodology, and research efforts are proposed to elucidate and characterize potential lead leaching risks and concerns pertaining to fires, in-field module damage, and sampling and leach testing of PSMs at end of life. Lastly, lower technology readiness level solutions to mitigate lead leaching, currently being explored for PSMs, are discussed. PSMs have the potential to become a cost competitive PV technology for the solar industry and taking steps toward understanding, identifying, and creating solutions to mitigate potential environmental and human health risks will aid in improving their commercial viability.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"Elsevier","journal_name":"Solar Energy","journal_issue":"C","journal_volume":"269","format":"Medium: X; Size: Article No. 112337","authors":["Rencheck, Mitchell L. (ORCID:0000000162818295)","Libby, Cara","Montgomery, Angelique","Stein, Joshua S. (ORCID:0000000294221976)"],"subjects":["14 SOLAR ENERGY","perovskite solar cells","perovskite solar modules","PV environmental and human health risks","perovskite PV end of life management"],"article_type":"Published Article","doe_contract_number":"38050; NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0038-092X","other_identifiers":["Journal ID: ISSN 0038-092X; S0038092X24000318; 112337; PII: S0038092X24000318"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282200"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282200"}]}, {"osti_id":"2301643","title":"Absolute Branching Ratios of Prominent $γ$ Rays Following $α$ Decay of <sup>233<\/sup>U","doi":"10.1016/j.nds.2024.01.003","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nuclear Data Sheets; Journal Volume: 193; Journal Issue: 1","description":"The absolute $γ$-ray branching ratios (emission probabilities) for 19 prominent peaks in the $α$ decay of <sup>233<\/sup>U are reported with energies ranging from 97 to 366 keV. The branching ratios were obtained from $α-γ$ coincidence measurements, normalized to the $α$ singles. The high-purity <sup>233<\/sup>U material (> 99.98%) was separated from its decay products before preparation of a 4.74-mg/cm<sup>2<\/sup> uranyl nitrate foil with a 6-mm diameter. Furthermore, this is the first report on the absolute normalization of the branching ratios since 1984 and it is the only measure by $α-γ$ coincidences, where the $α-γ/α$ ratio removes several potential systematic biases. Overall, the results are consistent with the adopted literature, and they validate the quantities most relevant to the non-destructive assay of fissile <sup>233<\/sup>U material, which is relevant to the thorium fuel cycle and associated safeguards.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Elsevier","journal_name":"Nuclear Data Sheets","journal_issue":"1","journal_volume":"193","format":"Medium: ED; Size: 88-94","authors":["Gray, T. J. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Allmond, J. M. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Evans, L. G. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Roach, B. D. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","King, T. T. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Rasco, B. C. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; 10392","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0090-3752","other_identifiers":["Journal ID: ISSN 0090-3752"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301643"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301643"}]}, {"osti_id":"2282829","title":"<i>BioXTAS RAW 2<\/i>\n : new developments for a free open-source program for small-angle scattering data reduction and analysis","doi":"10.1107/S1600576723011019","product_type":"Journal Article","language":"English","country_publication":"Denmark","relation":"Journal Name: Journal of Applied Crystallography (Online) Journal Volume: 57 Journal Issue: 1","description":"<p>\n <italic>BioXTAS RAW<\/italic>\n is a free open-source program for reduction, analysis and modelling of biological small-angle scattering data. Here, the new developments in\n <italic>RAW<\/italic>\n version 2 are described. These include improved data reduction using\n <italic>pyFAI<\/italic>\n ; updated automated Guinier fitting and\n <italic>D<\/italic>\n <sub>max<\/sub>\n finding algorithms; automated series (\n <italic>e.g.<\/italic>\n size-exclusion chromatography coupled small-angle X-ray scattering or SEC-SAXS) buffer- and sample-region finding algorithms; linear and integral baseline correction for series; deconvolution of series data using regularized alternating least squares (\n <italic>REGALS<\/italic>\n ); creation of electron-density reconstructions using electron density via solution scattering (\n <italic>DENSS<\/italic>\n ); a comparison window showing residuals, ratios and statistical comparisons between profiles; and generation of PDF reports with summary plots and tables for all analysis. Furthermore, there is now a\n <italic>RAW<\/italic>\n API, which can be used without the graphical user interface (GUI), providing full access to all of the functionality found in the GUI. In addition to these new capabilities,\n <italic>RAW<\/italic>\n has undergone significant technical updates, such as adding Python 3 compatibility, and has entirely new documentation available both online and in the program.\n <\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"International Union of Crystallography (IUCr)","journal_name":"Journal of Applied Crystallography (Online)","journal_issue":"1","journal_volume":"57","format":"Medium: X; Size: p. 194-208","authors":["Hopkins, Jesse B. (ORCID:0000000185548072)"],"article_type":"Published Article","doe_contract_number":"AC02-06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1600-5767","other_identifiers":["Journal ID: ISSN 1600-5767; JACGAR; PII: S1600576723011019"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282829"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282829"}]}, {"osti_id":"2323278","title":"Plant root associated chitinases: structures and functions","report_number":"IS-J-11,278","doi":"10.3389/fpls.2024.1344142","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Frontiers in Plant Science; Journal Volume: 15","description":"Chitinases degrade chitin, a linear homopolymer of β-1,4-linked N-acetyl-D-glucosamine (GlcNAc) residues found in the cell walls of fungi and the exoskeletons of arthropods. They are secreted by the roots into the rhizosphere, a complex and dynamic environment where intense nutrient exchange occurs between plants and microbes. Here we modeled, expressed, purified, and characterized Zea mays and Oryza sativa root chitinases, and the chitinase of a symbiotic bacterium, Chitinophaga oryzae 1303 for their activities with chitin, di-, tri-, and tetra-saccharides and Aspergillus niger, with the goal of determining their role(s) in the rhizosphere and better understanding the molecular mechanisms underlying plant-microbe interactions. We show that Zea mays basic endochitinase (ZmChi19A) and Oryza sativa chitinase (OsChi19A) are from the GH19 chitinase family. The Chitinophaga oryzae 1303 chitinase (CspCh18A) belongs to the GH18 family. The three enzymes have similar apparent K<sub>M<\/sub> values of (20-40 µM) for the substrate 4-MU-GlcNAc<sub>3<\/sub>. They vary in their pH and temperature optima with OsChi19A activity optimal between pH 5–7 and 30–40°C while ZmChi19A and CspCh18A activities were optimal at pH 7-9 and 50–60°C. Modeling and site-directed mutation of ZmChi19A identified the catalytic cleft and the active residues E147 and E169 strategically positioned at ~8.6Å from each other in the folded protein. Cleavage of 4-MU-GlcNAc<sub>3<\/sub> was unaffected by the absence of the CBD but diminished in the absence of the flexible C-terminal domain. However, unlike for the soluble substrate, the CBD and the newly identified flexible C-terminal domain were vital for inhibiting Aspergillus niger growth. The results are consistent with the involvement of the plant chitinases in defense against pathogens like fungi that have chitin exoskeletons. In summary, we have characterized the functional features and structural domains necessary for the activity of two plant root chitinases that are believed to be involved in plant defense and a bacterial chitinase that, along with the plant chitinases, may participate in nutrient recycling in the rhizosphere.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Frontiers Research Foundation","journal_name":"Frontiers in Plant Science","journal_volume":"15","format":"Medium: ED; Size: Article No. 1344142","authors":["Shobade, Samuel O. [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)]","Zabotina, Olga A. [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)]","Nilsen-Hamilton, Marit [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)]"],"subjects":["60 APPLIED LIFE SCIENCES","chitinase","hydrolases","chitin-binding domain","C-terminal domain","anti-fungal activity","rhizosphere"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 1664-462X","other_identifiers":["Journal ID: ISSN 1664-462X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2323278"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2323278"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2323278"}]}, {"osti_id":"2284022","title":"Calibration of thermal spray microstructure simulations using Bayesian optimization","report_number":"SAND-2024-01770J","doi":"10.1016/j.commatsci.2024.112845","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Computational Materials Science Journal Volume: 235 Journal Issue: C","description":"Thermal spray deposition is an inherently stochastic manufacturing process used for generating thick coatings of metals, ceramics and composites. The generated coatings exhibit hierarchically complex internal structures that affect the overall properties of the coating. The deposition process can be adequately simulated using rules-based process simulations. Nevertheless, in order for the simulation to accurately model particle spreading upon deposition, a set of predefined rules and parameters need to be calibrated to the specific material and processing conditions of interest. The calibration process is not trivial given the fact that many parameters do not correspond directly to experimentally measurable quantities. This work presents a protocol that automatically calibrates the parameters and rules of a given simulation in order to generate the synthetic microstructures with the closest statistics to an experimentally generated coating. Specifically, this work developed a protocol for tantalum coatings prepared using air plasma spray. The protocol starts by quantifying the internal structure using 2-point statistics and then representing it in a low-dimensional space using Principal Component Analysis. Subsequently, our protocol leverages Bayesian optimization to determine the parameters that yield the minimum distance between synthetic microstructure and the experimental coating in the low-dimensional space.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Elsevier","journal_name":"Computational Materials Science","journal_issue":"C","journal_volume":"235","format":"Medium: X; Size: Article No. 112845","authors":["Montes de Oca Zapiain, David (ORCID:0000000178900859)","Tran, Anh (ORCID:0000000286297161)","Moore, Nathan W.","Rodgers, Theron M. (ORCID:0000000304403985)"],"subjects":["36 MATERIALS SCIENCE","2-point statistics","Principal Component Analysis","Bayesian optimization","Thermal spray"],"article_type":"Published Article","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 0927-0256","other_identifiers":["Journal ID: ISSN 0927-0256; S0927025624000661; 112845; PII: S0927025624000661"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284022"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284022"}]}, {"osti_id":"2278734","title":"Gas-phase preparation of the dibenzo[\n <i>e,l<\/i>\n ]pyrene (C\n <sub>24<\/sub>\n H\n <sub>14<\/sub>\n ) butterfly molecule\n <i>via<\/i>\n a phenyl radical-mediated ring annulation","doi":"10.1039/D3CC05371G","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: ChemComm Journal Volume: 60 Journal Issue: 11","description":"<p>\n Molecular beam and computational investigations reveal an aryl radical-mediated gas-phase reaction network to form the dibenzo[\n <italic>e,l<\/italic>\n ]pyrene (C\n <sub>24<\/sub>\n H\n <sub>14<\/sub>\n ) butterfly molecule at high temperatures.\n <\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"ChemComm","journal_issue":"11","journal_volume":"60","format":"Medium: X; Size: p. 1404-1407","authors":["Goettl, Shane J. [Department of Chemistry, University of Hawai‘i at Mānoa, Honolulu, HI 96822, USA] (ORCID:0000000317965725)","Turner, Andrew M. [Department of Chemistry, University of Hawai‘i at Mānoa, Honolulu, HI 96822, USA]","Sun, Bing-Jian [Department of Chemistry, National Dong Hwa University, Shoufeng, Hualien 974, Taiwan]","Chang, Agnes H. H. [Department of Chemistry, National Dong Hwa University, Shoufeng, Hualien 974, Taiwan]","Hemberger, Patrick [Paul Scherrer Institute, CH-5232, Villigen, Switzerland] (ORCID:0000000212514549)","Kaiser, Ralf I. [Department of Chemistry, University of Hawai‘i at Mānoa, Honolulu, HI 96822, USA] (ORCID:0000000272337206)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1359-7345","other_identifiers":["Journal ID: ISSN 1359-7345; CHCOFS"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2278734"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2278734"}]}, {"osti_id":"2281298","title":"Proximate biomass characterization of the high productivity marine microalga Picochlorum celeri TG2","report_number":"NREL/JA-2700-87450","doi":"10.1016/j.plaphy.2024.108364","product_type":"Journal Article","language":"English","country_publication":"France","relation":"Journal Name: Plant Physiology and Biochemistry Journal Volume: 207 Journal Issue: C","description":"Microalgae are compelling renewable resources with applications including biofuels, bioplastics, nutrient supplements, and cosmetic products. Picochlorum celeri is an alga with high industrial interest due to exemplary outdoor areal biomass productivities in seawater. Detailed proximate analysis is needed in multiple environmental conditions to understand the dynamic biomass compositions of P. celeri, and how these compositions might be leveraged in biotechnological applications. In this study, biomass characterization of P. celeri was performed under nutrient-replete, nitrogen-restricted, and hyper-saline conditions. Nutrient-replete cultivation of P. celeri resulted in protein-rich biomass (~50% ash-free dry weight) with smaller carbohydrate (~12% ash-free dry weight) and lipid (~11% ash-free dry weight) partitions. Gradual nitrogen depletion elicited a shift from proteins to carbohydrates (~50% ash-free dry weight, day 3) as cells transitioned into the production of storage metabolites. Importantly, dilutions in nitrogen-restricted 40 parts per million (1.43 mM nitrogen) media generated high-carbohydrate (~50% ash-free dry weight) biomass without substantially compromising biomass productivity (36 g ash-free dry weight m<sup>—2<\/sup> day<sup>—1<\/sup>) despite decreased chlorophyll (~2% ash-free dry weight) content. This strategy for increasing carbohydrate content allowed for the targeted production of polysaccharides, which could potentially be utilized to produce fuels, oligosaccharides, and bioplastics. Cultivation at 2X sea salts resulted in a shift towards carbohydrates from protein, with significantly increased levels of the amino acid proline, which putatively acts as an osmolyte. A detailed understanding of the biomass composition of P. celeri in nutrient-replete, nitrogen-restricted, and hyper saline conditions informs how this strain can be useful in the production of biotechnological products.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-01-24T00:00:00Z","publisher":"Elsevier","journal_name":"Plant Physiology and Biochemistry","journal_issue":"C","journal_volume":"207","format":"Medium: X; Size: Article No. 108364","authors":["LaPanse, Alaina J. (ORCID:0000000179265690)","Krishnan, Anagha (ORCID:000000020044271X)","Dennis, Galen (ORCID:0000000162518946)","Karns, Devin A. J. (ORCID:0000000293605329)","Dahlin, Lukas R. (ORCID:0000000160974518)","Van Wychen, Stefanie","Burch, Tyson A. (ORCID:0000000189994950)","Guarnieri, Michael T. (ORCID:0000000314039689)","Weissman, Joseph C. (ORCID:0000000262784280)","Posewitz, Matthew C. (ORCID:0000000211638611)"],"subjects":["09 BIOMASS FUELS","biomass composition","high productivity","marine","microalgae","nitrogen deplete"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308; 28812","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE)"},{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE)","USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 0981-9428","other_identifiers":["Journal ID: ISSN 0981-9428; S0981942824000329; 108364; PII: S0981942824000329"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281298"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281298"}]}, {"osti_id":"2301627","title":"Microstructure and mechanical properties of friction stir weld performed on neutron-irradiated 304L steel with helium","doi":"10.1016/j.matchar.2024.113697","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Materials Characterization; Journal Volume: 209; Journal Issue: 2","description":"As nuclear power plants (NPPs) approach or exceed 40–60 years of service, it may become necessary to repair damaged neutron-irradiated components to prolong longevity. However, fusion welding repair of irradiated steels and metallic materials is challenging because of helium-induced cracking. This study used friction stir welding (FSW) to address helium-related issues, such as helium bubble formation and grain boundary cracking. The microstructure, helium-induced degradation, and mechanical properties of a friction stir weld produced on neutron-irradiated 304L stainless steel with approximately 5.2 appm of helium were characterized. The analysis focused on variations in grain size, texture, and the morphology of helium-induced damage in the friction stir weld. Mechanical properties were characterized on the irradiated base metal (BM) and metallurgical zones of the friction stir weld: the stir zone (SZ), the thermo-mechanically affected zone (TMAZ), and the heat affected zone (HAZ). Only minor scattered porosity in the SZ and TMAZ and a few short microcracks (below 20 μm in length) in the TMAZ were observed, indicating limited helium-induced degradation. Tensile tests revealed good mechanical properties and fractography analysis demonstrated predominantly ductile fracture. In conclusion, the results highlight the immediate and substantial benefits of the FSW approach for repairing or joining helium-containing irradiated materials in NPPs.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Elsevier","journal_name":"Materials Characterization","journal_issue":"2","journal_volume":"209","format":"Medium: ED; Size: 113697-113697","authors":["Gussev, M. N. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Tang, W. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Chen, X. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Dixon, J. T. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Rosseel, T. M. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]"],"subjects":["36 MATERIALS SCIENCE","Friction stir welding","Neutron-irradiated steel","Helium","Suppression of helium-induced embrittlement","Cracking"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE)"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1044-5803","other_identifiers":["Journal ID: ISSN 1044-5803"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301627"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301627"}]}, {"osti_id":"2283592","title":"Coupling of radiation and grain boundary corrosion in SiC","doi":"10.1038/s41529-024-00436-y","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: npj Materials Degradation Journal Volume: 8 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Radiation and corrosion can be coupled to each other in non-trivial ways and such coupling is of critical importance for the performance of materials in extreme environments. However, it has been rarely studied in ceramics and therefore it is not well understood to what extent these two phenomena are coupled and by what mechanisms. Here, we discover that radiation-induced chemical changes at grain boundaries of ceramics can have a significant (and positive) impact on the corrosion resistance of these materials. Specifically, we demonstrate using a combination of experimental and simulation studies that segregation of C to grain boundaries of silicon carbide leads to improved corrosion resistance. Our results imply that tunning of stoichiometry at grain boundaries either through the sample preparation process or via radiation-induced segregation can provide an effective method for suppressing surface corrosion.<\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-02T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"npj Materials Degradation","journal_issue":"1","journal_volume":"8","format":"Medium: X","authors":["Xi, Jianqi (ORCID:0000000205019718)","Zhang, Hongliang","Su, Ranran","Wei, Shuguang","Hu, Xuanxin","Queylat, Benoit","Kim, Taeho","Couet, Adrien (ORCID:0000000273305150)","Szlufarska, Izabela"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2397-2106","other_identifiers":["Journal ID: ISSN 2397-2106; 16; PII: 436"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283592"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283592"}]}, {"osti_id":"2229187","title":"The sanitary sewer unit hydrograph model: A comprehensive tool for wastewater flow modeling and inflow-infiltration simulations","doi":"10.1016/j.watres.2023.120997","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Water Research Journal Volume: 249 Journal Issue: C","description":"Sanitary sewer systems are critical urban water infrastructure that protect both human and environmental health. Their design, operation, and monitoring require novel modeling techniques that capture dominant processes while allowing for computationally efficient simulations. Open water flow in sewers and rivers are intrinsically similar processes. With this in mind, we formulated a new parsimonious model inspired by the Width Function Instantaneous Unit Hydrograph (WFIUH) approach, widely used to predict rainfall-runoff relationships in watersheds, to a sanitary sewer system consisting of nearly 10,000 sewer conduits and 120,000 residential and commercial sewage connections in Northern Virginia, U.S.A. Model predictions for the three primary components of sanitary flow, including Base Wastewater Flow (BWF), Groundwater Infiltration (GWI), and Runoff Derived Infiltration and Inflow (RDII), compare favorably with the more computationally demanding industry-standard Storm Water Management Model (SWMM). This novel application of the WFIUH modeling framework should support a number of critical water quality endpoints, including (i) sewer hydrograph separation through the quantification of BWF, GWI, and RDII outflows, (ii) evaluation of the impact of new urban developments on sewage flow dynamics, (iii) monitoring and mitigation of sanitary sewer overflows, and (iv) design and interpretation of wastewater surveillance studies.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2023-12-14T00:00:00Z","publisher":"Elsevier","journal_name":"Water Research","journal_issue":"C","journal_volume":"249","format":"Medium: X; Size: Article No. 120997","authors":["Perez, Gabriel (ORCID:0000000338800874)","Gomez-Velez, Jesus D.","Grant, Stanley B. (ORCID:0000000162217211)"],"subjects":["54 ENVIRONMENTAL SCIENCES","weighted width function","unit hydrograph","sewer network","base wastewater flow","groundwater infiltration","runoff derived infiltration and inflow"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725; OIA-2312326; OIA-2020814; EAR-1830172; OIA-2021015","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0043-1354","other_identifiers":["Journal ID: ISSN 0043-1354; S0043135423014379; 120997; PII: S0043135423014379"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2229187"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2229187"}]}, {"osti_id":"2283593","title":"The Microscopic Mechanism of Lithiation and Delithiation in the Ag/C Buffer Layer for Anode‐Free Solid‐State Batteries","doi":"10.1002/aenm.202302960","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Advanced Energy Materials Journal Volume: 14 Journal Issue: 10","description":"<title>Abstract<\/title>\n <p>\n Lithium metal solid‐state batteries (LMSSBs) have demonstrated their high energy density and cycling performance at high current densities in an anode‐free architecture, featuring a thin Ag/C composite buffer layer (BL) between the current collector (CC) and the solid electrolyte (SE). This study explains the microscopic mechanism of the Ag/C BL by using first‐principles atomistic and continuum modeling. It is shown that Ag effectively acts as a homogeneous solid‐solution beyond AgLi\n <sub>2.32<\/sub>\n and maintains a positive potential even at AgLi\n <sub>25<\/sub>\n during lithiation. Key factors underlying the working of the Ag/C BL include lower interfacial resistance at the BL/CC interface than at the BL/SE interface, leading to predominant Li deposition on BL/CC, and substantial Ag–Li volume expansion during lithiation. This, combined with stronger BL/SE adhesion, causes BL/SE separation and Ag–Li extrusion toward the CC side. During delithiation, Ag re‐precipitates as nanoparticles uniformly on the CC, with its positive lithiation potential homogenizing Li currents in subsequent cycles. Other metals are less effective due to their relatively large overpotential, premature lithiation termination, and limited volume expansions hindering movement toward the CC. The study aids the BL design, focusing on metal choice and optimization material and microstructural properties, such as the Li‐ion conductivity and interfacial resistance.\n <\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-03-08T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Energy Materials","journal_issue":"10","journal_volume":"14","format":"Medium: X","authors":["Xie, Fengyu [Department of Materials Science and Engineering University of California Berkeley CA 94720 USA, Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA] (ORCID:0000000211691690)","Diallo, Mouhamad Said [Department of Materials Science and Engineering University of California Berkeley CA 94720 USA, Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA] (ORCID:0000000346834054)","Kim, Haegyeom [Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA] (ORCID:0000000259628244)","Tu, Qingsong Howard [Department of Mechanical Engineering Rochester Institute of Technology Rochester NY 14623 USA] (ORCID:000000022345799X)","Ceder, Gerbrand [Department of Materials Science and Engineering University of California Berkeley CA 94720 USA, Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA] (ORCID:0000000192753605)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1614-6832","other_identifiers":["Journal ID: ISSN 1614-6832; 2302960"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283593"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283593"}]}, {"osti_id":"2283785","title":"Surface Deformation and Seismicity Linked to Fluid Injection in the Raton Basin","doi":"10.1111/gwat.13393","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Ground Water","description":"<title>Abstract<\/title>\n <p>It is suggested that in addition to seismicity deep fluid injection may cause surface uplift and subsidence in oil and gas‐producing regions. This study uses the Raton Basin as an example to investigate the hydromechanical processes of surface uplift and subsidence during wastewater injection. The Raton Basin, in southern central Colorado and northern central New Mexico, has experienced wastewater injection related to coalbed methane and gas production starting in 1994. In this study, we estimate the extent and magnitude of total vertical deformation in the Raton Basin from 1994 to 2020 and incremental deformation between the years 2017 to 2020. Results indicate a modeled uplift as much as 15 cm occurring between 1994 and 2020. Between 2017 and 2020, up to 3 cm of uplift occurred, largely near the northwestern injection wells. Most modeled uplift between 1994 and 2020 occurred near the southern wells, where the greatest cumulative volume of wastewater was injected. However, modeled subsidence occurred around the southern and eastern wells between 2017 and 2020, after the rate of injection decreased. Modeling indicates that while the magnitude of modeled uplift corresponds to cumulative injection volume and maximum rate in the long‐term, short‐term incremental deformation (uplift or subsidence) is controlled by changes in the rate of injection. The number of yearly earthquake events follows periods of rapid modeled uplifting throughout the Basin, suggesting that measurable surface deformation may be caused by the same injection‐induced pore pressure perturbations that initiate seismicity.<\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"Ground Water","format":"Medium: X","authors":["Chambers, Cameron R. [Department of Geological Sciences University of Colorado Boulder 2200 Colorado Ave Boulder CO 80309 USA] (ORCID:0000000222033802)","Brown, Megan R. M. [Northern Illinois University DeKalb IL USA] (ORCID:000000026523927X)","Stokes, Scott M. [University of Colorado Boulder Boulder CO USA]","Ge, Shemin [University of Colorado Boulder Boulder CO USA]","Menezes, Elizabeth A. [University of Colorado Boulder Boulder CO USA]","Tiampo, Kristy F. [University of Colorado Boulder Boulder CO USA]","Sheehan, Anne F. [University of Colorado Boulder Boulder CO USA]"],"article_type":"Published Article","doe_contract_number":"DE‐SC0020222","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0017-467X","other_identifiers":["Journal ID: ISSN 0017-467X; gwat.13393"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283785"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283785"}]}, {"osti_id":"2316137","title":"Can Wholesale Electricity Markets Achieve Resource Adequacy and High Clean Energy Generation Targets in the Presence of Self-Interested Actors?","report_number":"NREL/JA-6A40-86981","doi":"10.1016/j.apenergy.2024.122774","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Applied Energy; Journal Volume: 359","description":"Wholesale electricity markets are intended to incentivize system generation investments and operations outcomes that meet evolving system needs. In this work, we evaluate the effectiveness of wholesale market structures, rules and policies in achieving system resource adequacy (RA) and clean energy targets in the presence of self-interested generation investors using the Electricity Markets and Investment Suite Agent-based Simulation (EMIS-AS) model. Results highlight that both capacity markets and operating reserve demand curves (ORDCs) can help achieve a reliable system but with different RA compliance timelines and distribution of generation technologies. Structures with capacity markets tend to favor more capital-intensive peaking technologies while reducing wind and solar build-outs due to suppressed energy and clean energy market prices, particularly in the absence of strong clean energy targets. Conversely, ORDCs improve the commitment of available generation units, but this comes at the expense of higher system costs and renewable generation curtailment. We also find that well-calibrated static capacity demand curves can yield similar reliability and total cost compared to capacity market demand curves informed dynamically by resource adequacy while also yielding stable annual capacity prices. Different approaches to formulating ORDC curves can also yield key trade-offs, namely that a more efficient treatment of storage chronology results in lower ORDC curves and prices, yielding less investment and cost but at the expense of reliability. Finally, the effectiveness of wholesale electricity markets in practically achieving very high clean energy generation targets highly depends on the cost-competitiveness of clean energy technologies that can support critical balancing needs across multiple timescales.","publication_date":"2024-02-03T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","journal_name":"Applied Energy","journal_volume":"359","format":"Medium: X","authors":["Anwar, Muhammad Bashar","Guo, Nongchao","Sun, Yinong","Frew, Bethany"],"subjects":["ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMISSION AND DISTRIBUTION","capacity expansion","capacity market","competitive wholesale electricity market design","operating reserve demand curve","resource adequacy"],"article_type":"","doe_contract_number":"AC36-08GO28308","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Strategic Analysis Team"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Strategic Analysis Team"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"other_identifiers":["MainId:87756;UUID:0d6ab801-a0ce-41b3-a952-1b9b807e7fb0;MainAdminId:71969"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316137"}]}, {"osti_id":"2278877","title":"Preparation and characterization of tungsten oxide fortified poly(urea-formaldehyde) microcapsules for self-healing coatings","report_number":"SRNL-STI-2023-00486","doi":"10.1016/j.polymertesting.2024.108328","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Polymer Testing Journal Volume: 131 Journal Issue: C","description":"Radiation-resistant poly(urea-formaldehyde) (PUF) microcapsules with a bisphenol A diglycidyl ether/butyl glycidyl ether core were prepared via emulsion polymerization. Tungsten oxide (WO<sub>3<\/sub>) nanoparticles were incorporated into the polymer shell to improve radiation resistance of the resultant PUF microcapsules. Microcapsules prepared with modified WO<sub>3<\/sub> nanoparticles had an average diameter of 117 μm, an encapsulation efficiency of 48%, and evenly dispersed nanoparticle incorporation of 3.5 wt%. Modification of dense WO<sub>3<\/sub> nanoparticles was necessary for even dispersion into PUF microcapsule shells. The corrosion protection properties of epoxy films cast on mild steel were demonstrated via scratching and exposure to salt solution. Films containing modified WO<sub>3<\/sub> fortified microcapsules demonstrated self-healing and retained corrosion protection properties. Under gamma irradiation, WO<sub>3<\/sub>/PUF microcapsules exhibited less degradation of epoxy healing core compared to microcapsules that were not fortified with WO<sub>3<\/sub>.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-01-10T00:00:00Z","publisher":"Elsevier","journal_name":"Polymer Testing","journal_issue":"C","journal_volume":"131","format":"Medium: X; Size: Article No. 108328","authors":["Adams, W. Taylor","Brechin, Bryce","Truong, Thanh-Tam"],"subjects":["Poly (urea-formaldehyde)","Self-healing coatings","Tungsten oxide","Microcapsules"],"article_type":"Published Article","doe_contract_number":"89303321CEM000080","orgs_sponsor":[{"name":"USDOE Office of Environmental Management (EM)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"}],"sponsor_orgs":["USDOE Office of Environmental Management (EM)","USDOE Laboratory Directed Research and Development (LDRD) Program"],"orgs_research":[{"name":"Savannah River Site (SRS), Aiken, SC (United States)"}],"research_orgs":["Savannah River Site (SRS), Aiken, SC (United States)"],"journal_issn":"ISSN 0142-9418","other_identifiers":["Journal ID: ISSN 0142-9418; S0142941824000059; 108328; PII: S0142941824000059"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2278877"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2278877"}]}, {"osti_id":"2283790","title":"Plant diversity and functional identity drive grassland rhizobacterial community responses after 15 years of\n <scp>\n CO\n <sub>2<\/sub>\n <\/scp>\n and nitrogen enrichment","doi":"10.1111/1365-2745.14271","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Ecology","description":"<title>Abstract<\/title>\n <p>\n <list>\n <list-item>\n <p>Improved understanding of bacterial community responses to multiple environmental filters over long time periods is a fundamental step to develop mechanistic explanations of plant–bacterial interactions as environmental change progresses.<\/p>\n <\/list-item>\n <list-item>\n <p>\n This is the first study to examine responses of grassland root‐associated bacterial communities to 15 years of experimental manipulations of plant species richness, functional group and factorial enrichment of atmospheric CO\n <sub>2<\/sub>\n (eCO\n <sub>2<\/sub>\n ) and soil nitrogen (+N).\n <\/p>\n <\/list-item>\n <list-item>\n <p>\n Across the experiment, plant species richness was the strongest predictor of rhizobacterial community composition, followed by +N, with no observed effect of eCO\n <sub>2<\/sub>\n . Monocultures of C\n <sub>3<\/sub>\n and C\n <sub>4<\/sub>\n grasses and legumes all exhibited dissimilar rhizobacterial communities within and among those groups. Functional responses were also dependent on plant functional group, where N\n <sub>2<\/sub>\n ‐fixation genes, NO\n <sub>3−<\/sub>\n ‐reducing genes and P‐solubilizing predicted gene abundances increased under resource‐enriched conditions for grasses, but generally declined for legumes. In diverse plots with 16 plant species, the interaction of eCO\n <sub>2<\/sub>\n +N altered rhizobacterial composition, while +N increased the predicted abundance of nitrogenase‐encoding genes, and eCO\n <sub>2<\/sub>\n +N increased the predicted abundance of bacterial P‐solubilizing genes.\n <\/p>\n <\/list-item>\n <list-item>\n <p>\n <italic>Synthesis<\/italic>\n : Our findings suggest that rhizobacterial community structure and function will be affected by important global environmental change factors such as eCO\n <sub>2<\/sub>\n , but these responses are primarily contingent on plant species richness and the selective influence of different plant functional groups.\n <\/p>\n <\/list-item>\n <\/list>\n <\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"Journal of Ecology","format":"Medium: X","authors":["Revillini, Daniel [Department of Biological Sciences Northern Arizona University Flagstaff Arizona USA, Instituto de Recursos Naturales y Agrobiologia de Sevilla (IRNAS‐CSIC) Sevilla Spain] (ORCID:0000000203804106)","Reich, Peter B. [Department of Forest Resources University of Minnesota St. Paul Minnesota USA, Hawkesbury Institute for the Environment Western Sydney University Penrith New South Wales Australia, School for Environment and Sustainability, Institute for Global Change Biology University of Michigan Ann Arbor Michigan USA]","Johnson, Nancy Collins [Department of Biological Sciences Northern Arizona University Flagstaff Arizona USA, School of Earth and Sustainability Northern Arizona University Flagstaff Arizona USA]"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-0477","other_identifiers":["Journal ID: ISSN 0022-0477; 1365-2745.14271"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283790"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283790"}]}, {"osti_id":"2301806","title":"Noble gas management with radiation-tolerant MOF for molten salt reactors","report_number":"PNNL-SA-191719","doi":"10.1016/j.xcrp.2024.101829","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Cell Reports Physical Science Journal Volume: 5 Journal Issue: 2","description":"One of the advantages of molten salt reactors (MSRs) is their ability to dynamically release volatile fission products such as Kr and Xe from the fuel. In order to manage this consistent radioactive off-gas, unselective delay beds of activated carbon allow the decay of short-lived isotopes. An improved sorbent material would demonstrate both higher delay efficiency and selectivity for Xe over Kr for the added harvesting of valuable noble gases. Here, we integrate a Xe-selective metal-organic framework, SBMOF-1, into engineered beads for the management of off-gases released from MSRs. Pressure-compacted SBMOF-1 pellets outperform the industrial standard at all conditions; at 0°C, sorbent mass and volume are reduced by up to 45% and 52% compared to activated carbon, and the SBMOF-1 pellets demonstrate roughly 50% more substantial Xe/Kr separation than activated carbon at all temperatures. These results motivate the continued development of efficient sorbent technology for MSR off-gas management.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Elsevier","journal_name":"Cell Reports Physical Science","journal_issue":"2","journal_volume":"5","format":"Medium: X; Size: Article No. 101829","authors":["Robinson, Alexander J.","Johnson, Hannah M.","Chong, Saehwa","Riley, Brian J.","Murphy, Mark K.","Okabe, Parker","Thallapally, Praveen K."],"subjects":["22 GENERAL STUDIES OF NUCLEAR REACTORS","MOFs","noble gas management","adsorption","separation","Molten Salt Reactor"],"article_type":"Published Article","doe_contract_number":"AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Nuclear Energy (NE)"}],"sponsor_orgs":["USDOE Office of Nuclear Energy (NE)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2666-3864","other_identifiers":["Journal ID: ISSN 2666-3864; S2666386424000547; 101829; PII: S2666386424000547"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301806"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301806"}]}, {"osti_id":"2283799","title":"Open-source electrochemical cell for\n <i>in situ<\/i>\n X-ray absorption spectroscopy in transmission and fluorescence modes","doi":"10.1107/S1600577524000122","product_type":"Journal Article","language":"English","country_publication":"Denmark","relation":"Journal Name: Journal of Synchrotron Radiation (Online) Journal Volume: 31 Journal Issue: 2","description":"<p>\n X-ray spectroscopy is a valuable technique for the study of many materials systems. Characterizing reactions\n <italic>in situ<\/italic>\n and\n <italic>operando<\/italic>\n can reveal complex reaction kinetics, which is crucial to understanding active site composition and reaction mechanisms. In this project, the design, fabrication and testing of an open-source and easy-to-fabricate electrochemical cell for\n <italic>in situ<\/italic>\n electrochemistry compatible with X-ray absorption spectroscopy in both transmission and fluorescence modes are accomplished via windows with large opening angles on both the upstream and downstream sides of the cell. Using a hobbyist computer numerical control machine and free 3D CAD software, anyone can make a reliable electrochemical cell using this design. Onion-like carbon nanoparticles, with a 1:3 iron-to-cobalt ratio, were drop-coated onto carbon paper for testing\n <italic>in situ<\/italic>\n X-ray absorption spectroscopy. Cyclic voltammetry of the carbon paper showed the expected behavior, with no increased ohmic drop, even in sandwiched cells. Chronoamperometry was used to apply 0.4 V versus reversible hydrogen electrode, with and without 15 min of oxygen purging to ensure that the electrochemical cell does not provide any artefacts due to gas purging. The XANES and EXAFS spectra showed no differences with and without oxygen, as expected at 0.4 V, without any artefacts due to gas purging. The development of this open-source electrochemical cell design allows for improved collection of\n <italic>in situ<\/italic>\n X-ray absorption spectroscopy data and enables researchers to perform both transmission and fluorescence simultaneously. It additionally addresses key practical considerations including gas purging, reduced ionic resistance and leak prevention.\n <\/p>","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"International Union of Crystallography (IUCr)","journal_name":"Journal of Synchrotron Radiation (Online)","journal_issue":"2","journal_volume":"31","format":"Medium: X; Size: p. 322-327","authors":["Lopez-Astacio, Hiram","Vargas-Perez, Brenda Lee","Del Valle-Perez, Angelica","Pollock, Christopher J. (ORCID:000000015736513X)","Cunci, Lisandro"],"article_type":"Published Article","doe_contract_number":"SC0023686","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1600-5775","other_identifiers":["Journal ID: ISSN 1600-5775; JSYRES; PII: S1600577524000122"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283799"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283799"}]}, {"osti_id":"2305447","title":"Remotely Bonded Bridging Dioxygen Ligands Enhance Hydrogen Transfer in a Silica-Supported Tetrairidium Cluster Catalyst","doi":"10.1021/jacs.3c10660","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society; Journal Volume: 146; Journal Issue: 6","description":"A longstanding challenge in catalysis by noble metals has been to understand the origin of enhancements of rates of hydrogen transfer that result from bonding of oxygen near metal sites. We investigated structurally well-defined catalysts consisting of supported tetrairidium carbonyl clusters with single-atom (apical iridium) catalytic sites for ethylene hydrogenation. Reaction of the clusters with ethylene and H<sub>2<\/sub> followed by O<sub>2<\/sub> led to the onset of catalytic activity as a terminal CO ligand at each apical Ir atom was removed and bridging dioxygen ligands replaced CO ligands at neighboring (basal-plane) sites. The presence of the dioxygen ligands caused a 6-fold increase in the catalytic reaction rate, which is explained by the electron-withdrawing capability induced by the bridging dioxygen ligands, consistent with the inference that reductive elimination is rate determining. Electronic structure calculations demonstrate an additional role of the dioxygen ligands, changing the mechanism of hydrogen transfer from that involving equatorial hydride ligands to that involving bridging hydride ligands. This mechanism is made evident by an inverse kinetic isotope effect observed in ethylene hydrogenation reactions with H<sub>2<\/sub> and, alternatively, with D<sub>2<\/sub> on the cluster incorporating the dioxygen ligands, and is a consequence of quasi-equilibrated hydrogen transfer in this catalyst. The same mechanism accounts for rate enhancements induced by the bridging dioxygen ligands for the catalytic reaction of H<sub>2<\/sub> with D<sub>2<\/sub> to give HD. Here, we posit that the mechanism involving bridging hydride ligands facilitated by oxygen ligands remote from the catalytic site may have some generality in catalysis by oxide-supported noble metals.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"Journal of the American Chemical Society","journal_issue":"6","journal_volume":"146","format":"Medium: ED; Size: p. 3773-3784","authors":["Palermo, Andrew P. [University of California, Berkeley, CA (United States); University of California, Davis, CA (United States)] (ORCID:0000000232976820)","Zhang, Shengjie [University of Alabama, Tuscaloosa, AL (United States)]","Okrut, Alexander [University of California, Berkeley, CA (United States)]","Schöttle, Christian [University of California, Berkeley, CA (United States)] (ORCID:0000000195371573)","Grosso-Giordano, Nicolás A. [University of California, Berkeley, CA (United States)]","Runnebaum, Ron C. [University of California, Berkeley, CA (United States)] (ORCID:0000000158728596)","Edwards, Kyle C. [University of Alabama, Tuscaloosa, AL (United States)]","Guan, Erjia [University of California, Davis, CA (United States)] (ORCID:000000030403485X)","Ertler, Daniel [University of California, Berkeley, CA (United States)]","Solovyov, Andrew [University of California, Berkeley, CA (United States)]","Kistler, Joseph D. [University of California, Davis, CA (United States)]","Aydin, Ceren [University of California, Davis, CA (United States)]","Lu, Jing [University of California, Davis, CA (United States)]","Busygin, Igor [University of California, Berkeley, CA (United States)]","Dixon, David. A. [University of Alabama, Tuscaloosa, AL (United States)] (ORCID:0000000294920056)","Gates, Bruce C. [University of California, Davis, CA (United States)] (ORCID:0000000302744882)","Katz, Alexander [University of California, Berkeley, CA (United States)] (ORCID:0000000334877049)"],"subjects":["77 NANOSCIENCE AND NANOTECHNOLOGY","catalysis","metal cluster","tetrairidium cluster","oxidation catalysis","hydrogen transfer","catalysts","hydrocarbons","hydrogen","ligands","transition metals"],"article_type":"Accepted Manuscript","doe_contract_number":"FG02-04ER15513; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Univ. of California, Davis, CA (United States)"}],"research_orgs":["Univ. of California, Davis, CA (United States)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305447"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305447"}]}, {"osti_id":"2311062","title":"Dynamic control of the spatial frequency content of an intense laser via intra-beam energy transfer","report_number":"LLNL-JRNL-853656","doi":"10.1063/5.0177602","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physics of Plasmas; Journal Volume: 31; Journal Issue: 2","description":"Here, we present theory and simulations demonstrating that bandwidth-inducing optical smoothing techniques such as smoothing by spectral dispersion (SSD) can initiate intra-beam energy transfer (IBET) within a single beam. IBET consists of energy transfer between the different frequency components of the beam and results in a simultaneous and correlated redistribution of the temporal and spatial frequencies of the laser\'s electric field. We identify a threshold in bandwidth for IBET to occur and validate the theory with simulations. The bandwidth and the color cycling of SSD can result in IBET in conditions relevant for high-energy density experiments at the National Ignition Facility and Omega Laser. We show that IBET could be used to manipulate a laser\'s spatial frequency content within a plasma. In particular, this technique could be used to increase a laser\'s effective f-number, with potential applications for self-guiding in plasmas.","availability":"External Audience (Unlimited)","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-26T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"Physics of Plasmas","journal_issue":"2","journal_volume":"31","format":"Medium: ED; Size: Article No. 022101","authors":["Ludwig, Josh D. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:000000023247605X)","Michel, Pierre M. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000275847420)","Chapman, Thomas [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000174040927)","Belyaev, Mikhail [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000224908887)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","speed of sound","ponderomotive force","frequency modulation","lasers","energy transfer","plasma waves","self focusing"],"article_type":"Accepted Manuscript","doe_contract_number":"AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 1070-664X","other_identifiers":["Journal ID: ISSN 1070-664X; 1081609"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311062"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311062"}]}, {"osti_id":"2283590","title":"Space–time structure of weak magnetohydrodynamic turbulence","doi":"10.1017/S0022377824000035","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Plasma Physics Journal Volume: 90 Journal Issue: 1","description":"<p>\n The two-time energy spectrum of weak magnetohydrodynamic turbulence is found by applying a wave-turbulence closure to the cumulant hierarchy constructed from the dynamical equations. Solutions are facilitated via asymptotic expansions in terms of the small parameter\n <inline-formula>\n <alternatives>\n <tex-math>$\\varepsilon$<\/tex-math>\n <inline-graphic href=\'S0022377824000035_inline1.png\' mime-subtype=\'png\'/>\n <\/alternatives>\n <\/inline-formula>\n , describing the ratio of time scales corresponding to Alfvénic propagation and nonlinear interactions between counter-propagating Alfvén waves. The strength of nonlinearity at a given spatial scale is further quantified by an integration over all possible delta-correlated modes compliant in a given set of three-wave interactions that are associated with energy flux through the said scale. The wave-turbulence closure for the two-time spectrum uncovers a secularity occurring on a time scale of order\n <inline-formula>\n <alternatives>\n <tex-math>$\\varepsilon ^{-2}$<\/tex-math>\n <inline-graphic href=\'S0022377824000035_inline2.png\' mime-subtype=\'png\'/>\n <\/alternatives>\n <\/inline-formula>\n , and the asymptotic expansion for the spectrum is reordered in a manner comparable to the one-time case. It is shown that for the regime of stationary turbulence, the two-time energy spectrum exponentially decays on a lagged time scale\n <inline-formula>\n <alternatives>\n <tex-math>$(\\varepsilon ^2 \\gamma _k^s)^{-1}$<\/tex-math>\n <inline-graphic href=\'S0022377824000035_inline3.png\' mime-subtype=\'png\'/>\n <\/alternatives>\n <\/inline-formula>\n in proportion to the strength of the associated three-wave interactions, characterized by nonlinear decorrelation frequency\n <inline-formula>\n <alternatives>\n <tex-math>$\\gamma _k^s$<\/tex-math>\n <inline-graphic href=\'S0022377824000035_inline4.png\' mime-subtype=\'png\'/>\n <\/alternatives>\n <\/inline-formula>\n . The scaling of the form\n <inline-formula>\n <alternatives>\n <tex-math>$k_{\\perp } v_0 \\chi _0$<\/tex-math>\n <inline-graphic href=\'S0022377824000035_inline5.png\' mime-subtype=\'png\'/>\n <\/alternatives>\n <\/inline-formula>\n exhibited by this frequency is reminiscent of random sweeping by the outer scale with characteristic fluctuation velocity\n <inline-formula>\n <alternatives>\n <tex-math>$v_0$<\/tex-math>\n <inline-graphic href=\'S0022377824000035_inline6.png\' mime-subtype=\'png\'/>\n <\/alternatives>\n <\/inline-formula>\n that is modified due to competition with Alfvénic propagation (characterized by\n <inline-formula>\n <alternatives>\n <tex-math>$\\chi _0$<\/tex-math>\n <inline-graphic href=\'S0022377824000035_inline7.png\' mime-subtype=\'png\'/>\n <\/alternatives>\n <\/inline-formula>\n ) at the said scale. A brief calculation of frequency broadening of the power spectrum due to nonlinear interactions is also presented.\n <\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-02T00:00:00Z","publisher":"Cambridge University Press (CUP)","journal_name":"Journal of Plasma Physics","journal_issue":"1","journal_volume":"90","format":"Medium: X","authors":["Azelis, Augustus A. (ORCID:0000000286140607)","Perez, Jean C. (ORCID:0000000288416443)","Bourouaine, Sofiane"],"article_type":"Published Article","doe_contract_number":"FG02-89ER53291.","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-3778","other_identifiers":["Journal ID: ISSN 0022-3778; 905900109; PII: S0022377824000035"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283590"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283590"}]}, {"osti_id":"2283604","title":"Carbene Complexes of Plutonium: Structure, Bonding, and Divergent Reactivity to Lanthanide Analogs","doi":"10.1021/jacs.3c12719","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society Journal Volume: 146 Journal Issue: 6","description":"Organoplutonium chemistry was established in 1965, yet structurally authenticated plutonium–carbon bonds remain rare being limited to π-bonded carbocycle and σ-bonded isonitrile and hydrocarbyl derivatives. Thus, plutonium-carbenes, including alkylidenes and Nheterocyclic carbenes (NHCs), are unknown. Here, we report the preparation and characterization of the diphosphoniomethanide-plutonium complex [Pu(BIPM<sup>TMS<\/sup>H)(I)(μ-I)]<sub>2<\/sub> (1Pu, BIPM<sup>TMS<\/sup>H = (Me<sub>3<\/sub>SiNPPh<sub>2<\/sub>)<sub>2<\/sub>CH) and the diphosphonioalkylidene-plutonium complexes [Pu(BIPM<sup>TMS<\/sup>)(I)(DME)] (2Pu, BIPM<sup>TMS<\/sup> = (Me<sub>3<\/sub>SiNPPh<sub>2<\/sub>)<sub>2<\/sub>C) and [Pu(BIPM<sup>TMS<\/sup>)(I)(DME)] (2Pu, BIPM<sup>TMS<\/sup> = (Me<sub>3<\/sub>SiNPPh<sub>2<\/sub>)<sub>2<\/sub>C) and [Pu(BIPM<sup>TMS<\/sup>)(I)(I<sup>Me4<\/sup>)<sub>2<\/sub>] (3Pu, I<sup>Me4<\/sup> = C(NMeCMe)<sub>2<\/sub>), thus disclosing non-actinyl transneptunium multiple bonds and transneptunium NHC complexes. These Pu–C double and dative bonds, along with cerium, praseodymium, samarium, uranium, and neptunium congeners, enable lanthanide–actinide and actinide–actinide comparisons between metals with similar ionic radii and isoelectronic 4f<sup>5<\/sup> vs 5f<sup>5<\/sup> electron-counts within conserved ligand fields over 12 complexes. Quantum chemical calculations reveal that the orbital-energy and spatial-overlap terms increase from uranium to neptunium; however, on moving to plutonium the orbital-energy matching improves but the spatial overlap decreases. The bonding picture that emerges is more complex than the traditional picture of the bonding of lanthanides being ionic and early actinides being more covalent but becoming more ionic left to right. Multiconfigurational calculations on 2M and 3M (M = Pu, Sm) account for the considerably more complex UV/vis/NIR spectra for 5f<sup>5<\/sup> 2Pu and 3Pu compared to 4f<sup>5<\/sup> 2Sm and 3Sm. Supporting the presence of Pu=C double bonds in 2Pu and 3Pu, 2Pu exhibits metallo-Wittig bond metathesis involving the highest atomic number element to date, reacting with benzaldehyde to produce the alkene PhC(H)=C(PPh<sub>2<\/sub>NSiMe<sub>3<\/sub>)<sub>2<\/sub> (4) and “PuOI”. In contrast, 2Ce and 2Pr do not react with benzaldehyde to produce 4.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of the American Chemical Society","journal_issue":"6","journal_volume":"146","format":"Medium: X; Size: p. 4098-4111","authors":["Murillo, Jesse [Chemistry Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States]","Seed, John A. [Department of Chemistry and Centre for Radiochemistry Research, The University of Manchester, Oxford Road, Manchester M13 9PL, U.K.] (ORCID:0000000237510325)","Wooles, Ashley J. [Department of Chemistry and Centre for Radiochemistry Research, The University of Manchester, Oxford Road, Manchester M13 9PL, U.K.] (ORCID:0000000174119627)","Oakley, Meagan S. [Department of Chemistry and Centre for Radiochemistry Research, The University of Manchester, Oxford Road, Manchester M13 9PL, U.K.] (ORCID:0000000150727572)","Goodwin, Conrad A. P. [Chemistry Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States, Department of Chemistry and Centre for Radiochemistry Research, The University of Manchester, Oxford Road, Manchester M13 9PL, U.K.] (ORCID:0000000243202548)","Gregson, Matthew [Department of Chemistry and Centre for Radiochemistry Research, The University of Manchester, Oxford Road, Manchester M13 9PL, U.K.]","Dan, David [Chemistry Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States]","Chilton, Nicholas F. [Department of Chemistry and Centre for Radiochemistry Research, The University of Manchester, Oxford Road, Manchester M13 9PL, U.K., Research School of Chemistry, The Australian National University, Sullivans Creek Road, Canberra, ACT 2601, Australia] (ORCID:0000000286040171)","Gaunt, Andrew J. [Chemistry Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States] (ORCID:0000000196796020)","Kozimor, Stosh A. [Chemistry Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States] (ORCID:0000000173870507)","Liddle, Stephen T. [Department of Chemistry and Centre for Radiochemistry Research, The University of Manchester, Oxford Road, Manchester M13 9PL, U.K.] (ORCID:0000000199118778)","Scott, Brian L. [Materials Physics & Applications Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States]"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Ions","Ligands","Mathematical methods","Organic polymers","Reactivity"],"article_type":"Published Article","doe_contract_number":"20180703PRD1; AC52-06NA25396","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"],"orgs_research":[{"name":"Univ. of Manchester (United Kingdom)"}],"research_orgs":["Univ. of Manchester (United Kingdom)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283604"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283604"}]}, {"osti_id":"2311300","title":"Proton Diffusion in Liquid 1,2,3-Triazole Studied by Incoherent Quasi-Elastic Neutron Scattering","doi":"10.1021/acs.jpcb.3c07685","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry. B; Journal Volume: 128; Journal Issue: 6","description":"Improving the proton transport in polymer electrolytes impacts the performance of next-generation solid-state batteries. However, little is known about proton conductivity in nonaqueous systems due to the lack of an appropriate level of fundamental understanding. Here, we studied the proton transport in small molecules with dynamic hydrogen bonding, 1,2,3-triazole, as a model system of proton hopping in a nonaqueous environment using incoherent quasi-elastic neutron scattering. By using the jump-diffusion model, we identified the elementary jump-diffusion motion of protons at a much shorter length scale than those by nuclear magnetic resonance and impedance spectroscopy for the estimated long-range diffusion. In addition, a spatially restricted diffusive motion was observed, indicating that proton motion in 1,2,3-triazole is complex with various local correlated dynamics. In conclusion, these correlated dynamics will be important in elucidating the nature of the proton dynamics in nonaqueous systems.","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry. B","journal_issue":"6","journal_volume":"128","format":"Medium: ED; Size: p. 1544-1549","authors":["Shinohara, Yuya [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000018284751X)","Iwashita, Takuya [Oita University, Dannoharu (Japan)] (ORCID:0000000207577932)","Nakanishi, Masahiro [Fukuoka Institute of Technology (Japan)]","Osti, Naresh C. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000202132299)","Kofu, Maiko [Japan Atomic Energy Agency (JAEA), Tokai (Japan)]","Nirei, Masami [Japan Atomic Energy Agency (JAEA), Tokai (Japan)]","Dmowski, Wojciech [Univ. of Tennessee, Knoxville, TN (United States)]","Egami, Takeshi [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)] (ORCID:0000000211260276)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Diffusion","Energy","Neutron scattering","Proton conductivity","Scattering"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)"},{"name":"Energy Frontier Research Centers (EFRC) (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)","Energy Frontier Research Centers (EFRC) (United States)"],"journal_issn":"ISSN 1520-6106","other_identifiers":["Journal ID: ISSN 1520-6106"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311300"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311300"}]}, {"osti_id":"2319169","title":"Spectroscopic Characterization of Mn<sup>1+<\/sup> Low Oxidation State in Prussian Blue-Based Battery Anodes","report_number":"BNL-225347-2024-JAAM","doi":"10.1021/acs.jpclett.3c03516","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry Letters; Journal Volume: 15; Journal Issue: 5","description":"Stabilization of ions in exotic oxidation states is beneficial for the development of new materials for green energy technologies. Exotic Mn<sup>1+<\/sup> was proposed to play a role in the function of sodium-based Prussian blue analogues (PBA) batteries, a highly sought-out technology for industrial energy storage. Here, we report the detailed electronic structure characterization of uncharged and charged sodium-based manganese hexacyanomanganate anodes via Mn K-edge X-ray absorption spectroscopy (XAS), Kβ nonresonant X-ray emission (XES), and resonant inelastic X-ray scattering (RIXS). The latter allowed us to obtain site-selective XANES information about two distinct Mn centers. The obtained spectroscopic data represent the first electronic structure characterization of low-spin Mn<sup>1+<\/sup> using hard X-ray RIXS and XES and allowed us to confirm its role in anode reduction. In conclusion, our experimental approach can be expanded to analysis of analogues with other 3d transition metals broadening the application of exotic ionic states in materials engineering.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-03-14T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry Letters","journal_issue":"5","journal_volume":"15","format":"Medium: ED; Size: p. 1521-1528","authors":["Maximova, Olga [Purdue Univ., West Lafayette, IN (United States)] (ORCID:0000000177896683)","Allen, Winter [Purdue Univ., West Lafayette, IN (United States)]","Yee, Grace [Natron Energy, Santa Clara, CA (United States)]","Israel, Charlotte [Natron Energy, Santa Clara, CA (United States)]","Leshchev, Denis [Brookhaven National Laboratory (BNL), Upton, NY (United States)] (ORCID:0000000280493671)","Stavitski, Eli [Brookhaven National Laboratory (BNL), Upton, NY (United States)]","Ding, Yujia [Illinois Institute of Technology, Chicago, IL (United States)] (ORCID:0000000262502773)","Davis, Katherine [Emory Univ., Atlanta, GA (United States)] (ORCID:0000000202588907)","Wessells, Colin [Natron Energy, Santa Clara, CA (United States)]","Friebel, Daniel [Natron Energy, Santa Clara, CA (United States)]","Pushkar, Yulia [Purdue Univ., West Lafayette, IN (United States)] (ORCID:0000000179496472)"],"subjects":["36 MATERIALS SCIENCE"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0012704; AC02-06CH11357; CHE-2004147","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 1948-7185","other_identifiers":["Journal ID: ISSN 1948-7185"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2319169"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2319169"}]}, {"osti_id":"2311938","title":"Measuring stomatal and guard cell metrics for plant physiology and growth using StoManager1","doi":"10.1093/plphys/kiae049","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Plant Physiology (Bethesda)","description":"<title>Abstract<\/title>\n <p>Automated guard cell detection and measurement are vital for understanding plant physiological performance and ecological functioning in global water and carbon cycles. Most current methods for measuring guard cells and stomata are laborious, time-consuming, prone to bias, and limited in scale. We developed StoManager1, a high-throughput tool utilizing geometrical, mathematical algorithms, and convolutional neural networks to automatically detect, count, and measure over 30 guard cell and stomatal metrics, including guard cell and stomatal area, length, width, stomatal aperture area/guard cell area, orientation, stomatal evenness, divergence, and aggregation index. Combined with leaf functional traits, some of these StoManager1-measured guard cell and stomatal metrics explained 90% and 82% of tree biomass and intrinsic water use efficiency (iWUE) variances in hardwoods, making them substantial factors in leaf physiology and tree growth. StoManager1 demonstrated exceptional precision and recall (mAP@0.5 over 0.96), effectively capturing diverse stomatal properties across over 100 species. StoManager1 facilitates the automation of measuring leaf stomatal and guard cells, enabling broader exploration of stomatal control in plant growth and adaptation to environmental stress and climate change. This has implications for global gross primary productivity (GPP) modeling and estimation, as integrating stomatal metrics can enhance predictions of plant growth and resource usage worldwide. Easily accessible open-source code and standalone Windows executable applications are available on a GitHub repository (https://github.com/JiaxinWang123/StoManager1) and Zenodo (https://doi.org/10.5281/zenodo.7686022).<\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Oxford University Press","journal_name":"Plant Physiology (Bethesda)","format":"Medium: X","authors":["Wang, Jiaxin (ORCID:0000000348085085)","Renninger, Heidi J. (ORCID:0000000224859835)","Ma, Qin (ORCID:0000000269956663)","Jin, Shichao (ORCID:000000031150336X)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"EE0009280","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0032-0889","other_identifiers":["Journal ID: ISSN 0032-0889; kiae049"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311938"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311938"}]}, {"osti_id":"2311898","title":"Thermal Equations of State of Magnesite: Implication for the Complex Mid‐Lower Mantle Seismic Scatterers","doi":"10.1029/2023JB028026","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Geophysical Research. Solid Earth Journal Volume: 129 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Magnesite (MgCO\n <sub>3<\/sub>\n ) entering the lower mantle together with the subducted oceanic crust is an important carbon carrier. The reaction between magnesite and mantle minerals has been documented, but its influence on the density and velocity profiles of lower mantle remains unexplored. To decipher the deep carbon transportation and its associated effect, here we determined the thermal equations of state of magnesite up to 120 GPa and 2600 K using X‐ray diffraction in laser‐heated diamond anvil cells. The obtained thermal elastic parameters of magnesite facilitated a comprehensive understanding on the influence of magnesite‐SiO\n <sub>2<\/sub>\n reaction, variation of carbon and SiO\n <sub>2<\/sub>\n content, and temperature on the origin of lower‐mantle scatterers at 1,000–1,800 km depth. Our modeling revealed that the depth of the lower‐mantle\n <italic>V<\/italic>\n <sub>S<\/sub>\n scatterers is mainly controlled by the Al\n <sub>2<\/sub>\n O\n <sub>3<\/sub>\n content in SiO\n <sub>2<\/sub>\n , while its magnitude depends on the SiO\n <sub>2<\/sub>\n content. Along normal geotherm, the magnesite‐SiO\n <sub>2<\/sub>\n reaction would occur before the post‐stishovite transition, consuming substantial SiO\n <sub>2<\/sub>\n in the subducted oceanic crust. Depending on the amount of residual SiO\n <sub>2<\/sub>\n , the post‐stishovite transition can produce a 2.5–5.2 (2)%\n <italic>V<\/italic>\n <sub>S<\/sub>\n reduction, compatible with the observed seismic scatterers in Izu‐Bonin and Mariana subduction zones. Along slab geotherm, this reaction occurs after the post‐stishovite transition, generating a greater\n <italic>V<\/italic>\n <sub>S<\/sub>\n reduction of 4.4–6.4 (4)%. We thus propose that the reaction between sinking MgCO\n <sub>3<\/sub>\n and SiO\n <sub>2<\/sub>\n in the slab is one of the potential factors influencing the magnitude of the lower‐\n <italic>V<\/italic>\n s scatterers at 1,000–1,900 km depth. Our results provide new insights into the deep‐mantle carbonate transportation influencing regional geophysics.\n <\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Geophysical Research. Solid Earth","journal_issue":"2","journal_volume":"129","format":"Medium: X","authors":["Yu, Yingxin [Deep Space Exploration Laboratory School of Earth and Space Sciences University of Science and Technology of China Hefei China] (ORCID:0000000338944341)","Sun, Ningyu [Deep Space Exploration Laboratory School of Earth and Space Sciences University of Science and Technology of China Hefei China]","Mao, Zhu [Deep Space Exploration Laboratory School of Earth and Space Sciences University of Science and Technology of China Hefei China, CAS Center for Excellence in Comparative Planetology University of Science and Technology of China Hefei China, Frontiers Science Center for Planetary Exploration and Emerging Technologies University of Science and Technology of China Hefei China] (ORCID:0000000264696954)","Li, Luo [Deep Space Exploration Laboratory School of Earth and Space Sciences University of Science and Technology of China Hefei China] (ORCID:0000000299207794)","Prakapenka, Vitali B. [Center for Advanced Photon Sources The University of Chicago Chicago IL USA] (ORCID:0000000192702330)","Lin, Jung‐Fu [Department of Earth and Planetary Sciences Jackson School of Geosciences The University of Texas at Austin Austin TX USA] (ORCID:0000000201635329)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2169-9313","other_identifiers":["Journal ID: ISSN 2169-9313; e2023JB028026"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311898"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311898"}]}, {"osti_id":"2301634","title":"OctoFAS: A Two-Level Fair Scheduler That Increases Fairness in Network-Based Key-Value Storage","doi":"10.3390/electronics13030619","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Electronics; Journal Volume: 13; Journal Issue: 3","description":"We identified a fairness problem in a network-based key-value storage system using Intel Storage Performance Development Kit (SPDK) in a multitenant environment. In such an environment, each tenant’s I/O service rate is not fairly guaranteed compared to that of other tenants. To address the fairness problem, we propose OctoFAS, a two-level fair scheduler designed to improve overall throughput and fairness among tenants. The two-level scheduler of OctoFAS consists of (i) inter-core scheduling and (ii) intra-core scheduling. Through inter-core scheduling, OctoFAS addresses the load imbalance problem that is inherent in SPDK on the storage server by dynamically migrating I/O requests from overloaded cores to underloaded cores, thereby increasing overall throughput. Intra-core scheduling prioritizes handling requests from starving tenants over well-fed tenants within core-specific event queues to ensure fair I/O services among multiple tenants. OctoFAS is deployed on a Linux cluster with SPDK. Through extensive evaluations, we found that OctoFAS ensures that the total system throughput remains high and balanced, while enhancing fairness by approximately 10% compared to the baseline, when both scheduling levels operate in a hybrid fashion.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"MDPI","journal_name":"Electronics","journal_issue":"3","journal_volume":"13","format":"Medium: ED; Size: 619-","authors":["Park, Yeohyeon [Sogang Univ. Seoul (Korea, Republic of)]","Park, Junhyeok [Sogang Univ. Seoul (Korea, Republic of)]","Park, Junghwan [Sogang Univ. Seoul (Korea, Republic of)]","Khan, Awais [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Kim, Kyeongpyo [GlueSys Co., Ltd., Anyang (Korea, Republic of)]","Park, Sung-Soon [GlueSys Co., Ltd., Anyang (Korea, Republic of); Anyang Univ. (Korea, Republic of)]","Kim, Youngjae [Sogang Univ. Seoul (Korea, Republic of)] (ORCID:0000000187863850)"],"subjects":["97 MATHEMATICS AND COMPUTING","high-performance I/O","key-value store","storage system","I/O scheduling"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; 2020-0-00104; NRF-2021R1A2C2014386","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"Ministry of Science and ICT (MSIT)"},{"name":"National Research Foundation of Korea (NRF)"}],"sponsor_orgs":["USDOE Office of Science (SC)","Ministry of Science and ICT (MSIT)","National Research Foundation of Korea (NRF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2079-9292","other_identifiers":["Journal ID: ISSN 2079-9292"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301634"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2301634"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301634"}]}, {"osti_id":"2298976","title":"Ordered magnetic fields around the 3C 84 central black hole","report_number":"FERMILAB-PUB-24-0058-PPD; arXiv:2402.00927","doi":"10.1051/0004-6361/202348308","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Astronomy and Astrophysics; Journal Volume: 682","description":"Context. 3C 84 is a nearby radio source with a complex total intensity structure, showing linear polarisation and spectral patterns. A detailed investigation of the central engine region necessitates the use of very-long-baseline interferometry (VLBI) above the hitherto available maximum frequency of 86 GHz. Aims. Using ultrahigh resolution VLBI observations at the currently highest available frequency of 228 GHz, we aim to perform a direct detection of compact structures and understand the physical conditions in the compact region of 3C 84. Methods. We used Event Horizon Telescope (EHT) 228 GHz observations and, given the limited (u, v)-coverage, applied geometric model fitting to the data. Furthermore, we employed quasi-simultaneously observed, ancillary multi-frequency VLBI data for the source in order to carry out a comprehensive analysis of the core structure. Results. We report the detection of a highly ordered, strong magnetic field around the central, supermassive black hole of 3C 84. The brightness temperature analysis suggests that the system is in equipartition. We also determined a turnover frequency of ν<sub>m<\/sub> = (113 ± 4) GHz, a corresponding synchrotron self-absorbed magnetic field of B<sub>SSA<\/sub> = (2.9 ± 1.6) G, and an equipartition magnetic field of B<sub>eq<\/sub> = (5.2 ± 0.6) G. Three components are resolved with the highest fractional polarisation detected for this object (m<sub>net<\/sub> = (17.0 ± 3.9)%). The positions of the components are compatible with those seen in low-frequency VLBI observations since 2017–2018. We report a steeply negative slope of the spectrum at 228 GHz. We used these findings to test existing models of jet formation, propagation, and Faraday rotation in 3C 84. Conclusions. The findings of our investigation into different flow geometries and black hole spins support an advection-dominated accretion flow in a magnetically arrested state around a rapidly rotating supermassive black hole as a model of the jet-launching system in the core of 3C 84. However, systematic uncertainties due to the limited (u, v)-coverage, however, cannot be ignored. Our upcoming work using new EHT data, which offer full imaging capabilities, will shed more light on the compact region of 3C 84.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"EDP Sciences","journal_name":"Astronomy and Astrophysics","journal_volume":"682","format":"Medium: ED; Size: Article No. L3","authors":["Paraschos, G. F. (ORCID:0000000167573098)","Kim, J. -Y. (ORCID:0000000182297183)","Wielgus, M. (ORCID:0000000286354242)","Röder, J.","Krichbaum, T. P. (ORCID:0000000248929586)","Ros, E. (ORCID:0000000195034892)","Agudo, I. (ORCID:0000000237776182)","Myserlis, I. (ORCID:0000000330259497)","Moscibrodzka, M.","Traianou, E. (ORCID:0000000212096500)","Zensus, J. A.","Blackburn, L.","Chan, C. -K.","Issaoun, S.","Janssen, M.","Johnson, M. D.","Fish, V. L.","Akiyama, K.","Alberdi, A. (ORCID:0000000293711033)","Alef, W.","Algaba, J. C.","Anantua, R.","Asada, K.","Azulay, R. (ORCID:0000000222005393)","Bach, U. (ORCID:0000000277228412)","Baczko, A. -K.","Ball, D.","Baloković, M.","Barrett, J.","Bauböck, M.","Benson, B. A.","Bintley, D.","Blundell, R.","Bouman, K. L. (ORCID:0000000300774367)","Bower, G. C.","Boyce, H.","Bremer, M.","Brinkerink, C. D.","Brissenden, R. (ORCID:0000000225560894)","Britzen, S.","Broderick, A. E.","Broguiere, D.","Bronzwaer, T.","Bustamante, S. (ORCID:0000000161691894)","Byun, D. -Y.","Carlstrom, J. E. (ORCID:0000000220447665)","Ceccobello, C. (ORCID:0000000247679925)","Chael, A.","Chang, D. O.","Chatterjee, K.","Chatterjee, S. (ORCID:0000000228781502)","Chen, M. T.","Chen, Y.","Cheng, X.","Cho, I.","Christian, P.","Conroy, N. S.","Conway, J. E.","Cordes, J. M.","Crawford, T. M.","Crew, G. B. (ORCID:0000000220793189)","Cruz-Osorio, A.","Cui, Y.","Dahale, R. (ORCID:0000000169829034)","Davelaar, J.","De Laurentis, M. (ORCID:000000029945682X)","Deane, R. (ORCID:0000000310275043)","Dempsey, J.","Desvignes, G.","Dexter, J.","Dhruv, V.","Doeleman, S. S.","Dougal, S.","Dzib, S. A.","Eatough, R. P.","Emami, R.","Falcke, H.","Farah, J.","Fomalont, E.","Ford, H. A. (ORCID:0000000297970972)","Foschi, M. (ORCID:0000000181474993)","Fraga-Encinas, R.","Freeman, W. T.","Friberg, P. (ORCID:0000000280108454)","Fromm, C. M.","Fuentes, A. (ORCID:0000000287734933)","Galison, P.","Gammie, C. F.","García, R.","Gentaz, O.","Georgiev, B.","Goddi, C.","Gold, R.","Gómez-Ruiz, A. I.","Gómez, J. L.","Gu, M.","Gurwell, M. (ORCID:0000000306853621)","Hada, K.","Haggard, D. (ORCID:0000000168032138)","Haworth, K.","Hecht, M. H.","Hesper, R.","Heumann, D.","Ho, L. C.","Ho, P.","Honma, M. (ORCID:0000000340589000)","Huang, C. L.","Huang, L. (ORCID:000000021923227X)","Hughes, D. H.","Ikeda, S. (ORCID:0000000224621448)","Impellizzeri, C. V. (ORCID:0000000234432472)","Inoue, M.","James, D. J.","Jannuzi, B. T. (ORCID:0000000215786582)","Jeter, B.","Jaing, W.","Jiménez-Rosales, A. (ORCID:0000000226623754)","Jorstad, S. (ORCID:0000000161581708)","Joshi, A. V.","Jung, T.","Karami, M. (ORCID:0000000173879333)","Karuppusamy, R.","Kawashima, T.","Keating, G. K.","Kettenis, M.","Kim, D. -J.","Kim, J.","Kim, J.","Kino, M.","Koay, J. Y.","Kocherlakota, P.","Kofuji, Y.","Koch, P. M.","Koyama, S.","Kramer, C.","Kramer, J. A.","Kramer, M.","Kuo, C. -Y.","La Bella, N.","Lauer, T. R.","Lee, D.","Lee, S. -S.","Leung, P. K.","Levis, A.","Li, Z.","Lico, R.","Lindahl, G. (ORCID:0000000261004772)","Lindqvist, M. (ORCID:0000000236690715)","Lisakov, M. (ORCID:0000000160883819)","Liu, J.","Liu, K.","Liuzzo, E. (ORCID:0000000309955201)","Lo, W. -P.","Lobanov, A. P.","Loinard, L.","Lonsdale, C. J.","Lowitz, A. E.","Lu, R. -S.","MacDonald, N. R. (ORCID:0000000266848691)","Mao, J.","Marchili, N.","Markoff, S.","Marrone, D. P.","Marscher, A. P. (ORCID:0000000173963332)","Martí-Vidal, I.","Matsushita, S.","Matthews, L. D. (ORCID:0000000237288082)","Medeiros, L.","Menten, K. M.","Michalik, D.","Mizuno, I. (ORCID:0000000272106264)","Mizuno, Y.","Moran, J. M.","Moriyama, K.","Mulaudzi, W. (ORCID:000000034514625X)","Müller, C.","Müller, H.","Mus, A. (ORCID:0000000303296874)","Musoke, G.","Nadolski, A.","Nagai, H.","Nagar, N. M.","Nakamura, M.","Narayanan, G.","Natarajan, I.","Nathanail, A.","Navarro Fuentes, S.","Neilsen, J.","Neri, R. (ORCID:0000000271764046)","Ni, C. (ORCID:0000000313615699)","Noutsos, A.","Nowak, M. A.","Oh, J.","Okino, H.","Olivares, H.","Ortiz-León, G. N. (ORCID:000000022863676X)","Oyama, T.","Özel, F.","Palumbo, D. M.","Park, J.","Parsons, H.","Patel, N. (ORCID:0000000260219421)","Pen, U. -L. (ORCID:0000000321559578)","Piétu, V.","Plambeck, R. (ORCID:0000000167659609)","PopStefanija, A.","Porth, O.","Pötzl, F. M.","Prather, B.","Preciado-López, J. A.","Psaltis, D.","Pu, H. -Y.","Ramakrishnan, V. (ORCID:000000029248086X)","Rao, R.","Rawlings, M. G.","Raymond, A. W.","Rezzolla, L.","Ricarte, A.","Ripperda, B.","Roelofs, F.","Rogers, A.","Romero-Cañizales, C. (ORCID:0000000163019073)","Roshanineshat, A.","Rottmann, H.","Roy, A. L.","Ruiz, I.","Ruszczyk, C. (ORCID:0000000172789707)","Rygl, K. J. (ORCID:0000000341469043)","Sánchez, S.","Sánchez-Argüelles, D.","Sánchez-Portal, M.","Sasada, M.","Satapathy, K.","Savolainen, T. (ORCID:0000000162141085)","Schloerb, F. P.","Schonfeld, J. (ORCID:0000000289092401)","Schuster, K.","Shao, L. (ORCID:0000000213348853)","Shen, Z.","Small, D. (ORCID:0000000337235404)","Sohn, B. W.","SooHoo, J.","Sosapanta Salas, L. D. (ORCID:0000000319796363)","Souccar, K.","Sun, H.","Tazaki, F. (ORCID:0000000302360600)","Tetarenko, A. J.","Tiede, P.","Tilanus, R. J. (ORCID:000000026514553X)","Titus, M.","Torne, P.","Toscano, T.","Trent, T.","Trippe, S. (ORCID:0000000304651559)","Turk, M.","van Bemmel, I.","van Langevelde, H. J. (ORCID:0000000202305946)","van Rossum, D. R.","Vos, J. (ORCID:0000000333497394)","Wagner, J.","Ward-Thompson, D.","Wardle, J. (ORCID:0000000289602942)","Washington, J. E.","Weintroub, J.","Wharton, R.","Wiik, K.","Witzel, G.","Wondrak, M. F.","Wong, G. N.","Wu, Q.","Yadlapalli, N.","Yamaguchi, P.","Yfantis, A. (ORCID:0000000232447072)","Yoon, D.","Young, A.","Young, K.","Younsi, Z.","Yu, W.","Yuan, F.","Yuan, Y. -F.","Zhang, S.","Zhao, G. Y.","Zhao, S. -S."],"subjects":["79 ASTRONOMY AND ASTROPHYSICS","high angular resolution","interferometric techniques","active galaxies","individual galaxies","NCG 1275","jets"],"article_type":"Accepted Manuscript","contributing_org":"Event Horizon Telescope (EHT) Collaboration","doe_contract_number":"AC02-07CH11359; 89233218CNA000001; AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"},{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)","USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"},{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)","Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"],"journal_issn":"ISSN 0004-6361","other_identifiers":["Journal ID: ISSN 0004-6361; oai:inspirehep.net:2755087"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2298976"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2298976"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2298976"}]}, {"osti_id":"2311848","title":"Creation of Polymer Datasets with Targeted Backbones for Screening of High-Performance Membranes for Gas Separation","doi":"10.1021/acs.jcim.3c01232","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Chemical Information and Modeling; Journal Volume: 64; Journal Issue: 3","description":"A simple approach was developed to computationally construct a polymer dataset by combining simplified molecular-input line-entry system (SMILES) strings of a targeted polymer backbone and a variety of molecular fragments. This method was used to create 14 polymer datasets by combining seven polymer backbones and molecules from two large molecular datasets (MOSES and QM9). Polymer backbones that were studied include four polydimethylsiloxane (PDMS) based backbones, poly(ethylene oxide) (PEO), poly(allyl glycidyl ether) (PAGE), and polyphosphazene (PPZ). The generated polymer datasets can be used for various cheminformatics tasks, including high-throughput screening for gas permeability and selectivity. This study utilized machine learning (ML) models to screen the polymers for CO2/CH4 and CO2/N2 gas separation using membranes. Several polymers of interest were identified. Here the results highlight that employing an ML model fitted to polymer selectivities leads to higher accuracy in predicting polymer selectivity compared to using the ratio of predicted permeabilities.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Chemical Information and Modeling","journal_issue":"3","journal_volume":"64","format":"Medium: ED; Size: p. 638-652","authors":["Tiwari, Surya Prakash [National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States); National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States). Support Contractor] (ORCID:0000000302464071)","Shi, Wei [National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States)] (ORCID:0000000272959443)","Budhathoki, Samir [National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States); National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States). Support Contractor]","Baker, James [National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States); National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States). Support Contractor]","Sekizkardes, Ali K. [National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States); National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States). Support Contractor] (ORCID:0000000157500776)","Zhu, Lingxiang [National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States); National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States). Support Contractor] (ORCID:0000000160779579)","Kusuma, Victor A. [National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States); National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States). Support Contractor] (ORCID:0000000278814536)","Hopkinson, David P. [National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States)]","Steckel, Janice A. [National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States)] (ORCID:0000000192443359)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY"],"article_type":"Accepted Manuscript","orgs_sponsor":[{"name":"USDOE Office of Fossil Energy (FE)"}],"sponsor_orgs":["USDOE Office of Fossil Energy (FE)"],"orgs_research":[{"name":"National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)"}],"research_orgs":["National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)"],"journal_issn":"ISSN 1549-9596","other_identifiers":["Journal ID: ISSN 1549-9596"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311848"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311848"}]}, {"osti_id":"2274709","title":"Nordic socio-recreational ecosystem services in a hydropeaked river","doi":"10.1016/j.scitotenv.2023.169385","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Science of the Total Environment Journal Volume: 912 Journal Issue: C","description":"Fluctuating energy prices call for short-term river flow regulation at hydropower plants (HPPs), which can lead to hydropeaking – the pulsating water flow downstream from a HPP. Hydropeaking can affect land use areas of regulated rivers and subsequently their socio–recreational ecosystem services (SRESs). These areas often offer a range of services, such as swimming, boating, fishing, hiking, cycling, and berry picking. Such activities hold significant value in Nordic culture and for human wellbeing. We have examined how SRES land use areas are affected by hourly hydropeaking in a reach of the Kemijoki River in Finland. First, we determined the state of hydropeaking in the river by employing two indicators, normalized daily maximum flow difference and sub-daily flow ramping. Next, we looked at the spatiotemporal impacts of peaking hydrology using inundation maps derived from 2D-hydrodynamic modeling and a high-resolution land use map with clearly identified SRES areas. Finally, we examined the hazards to hydraulic safety in the river channel in the context of instream recreation. Our results show that hydropeaking levels in the study area remained consistently high throughout the entire study period, from 2010 to 2021. This was the case in all seasons except for the spring of 2013, 2016 and 2019. We determined that hydropeaking impacts on SRESs are mostly felt in the littoral zone (0.84 km<sup>2<\/sup> i.e., 3.1 % of the study area) during the summer season as 25 % (0.21 km<sup>2<\/sup>) of this zone is influenced by hydropeaking. In addition, multiple recreational use areas in this zone, such as beaches, riparian forest, and summer cottages, were found to be affected by hydropeaking. The results show that most of the river channel becomes hydraulically unsafe during high ramping flows. The highest hazard to instream recreation opportunities is likely to occur during summer. Consequently, hydropeaking can threaten the social and recreational services of Nordic rivers.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-03-13T00:00:00Z","publisher":"Elsevier","journal_name":"Science of the Total Environment","journal_issue":"C","journal_volume":"912","format":"Medium: X; Size: Article No. 169385","authors":["Virk, Zeeshan Tahir","Ashraf, Faisal Bin","Haghighi, Ali Torabi","Kløve, Bjørn","Hellsten, Seppo","Marttila, Hannu"],"subjects":["13 HYDRO ENERGY","Short-term regulation","Social","Recreation","Ecosystem services","Sub-Arctic rivers","Hydropower","Load balancing","Machine learning","Supervised land use classification","Hydraulic safety"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0048-9697","other_identifiers":["Journal ID: ISSN 0048-9697; S0048969723080154; 169385; PII: S0048969723080154"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2274709"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2274709"}]}, {"osti_id":"2301662","title":"Raman spectroscopic investigation of selected natural uranyl sulfate minerals","doi":"10.2138/am-2023-8932","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: American Mineralogist; Journal Volume: 109; Journal Issue: 2","description":"Uranyl sulfates are important constituents of uranium ores and represent a significant fraction of U(VI) minerals discovered in recent years owing to their propensity to form in mine tailings and legacy sites related to uranium exploration. Recently, we surveyed all published Raman spectra for uranium minerals and found significantly less easily accessible data available for uranyl sulfates relative to other groups of uranium minerals (Spano et al. 2023). In that work, we described average spectra for groups of uranyl minerals to understand common vibrational spectroscopic features attributable to similarities in oxyanion chemistry among U(VI) minerals, but only data for three uranyl sulfate minerals were included in the study. The present work reports on Raman spectra collected for 18 additional uranyl sulfate minerals. In conclusion, to better understand underlying structural and chemical features that give rise to spectroscopic observables, we relate differences in structural topology, charge-balancing cations, and locality of origin to features observed in the Raman spectra of selected natural uranyl sulfates.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Mineralogical Society of America","journal_name":"American Mineralogist","journal_issue":"2","journal_volume":"109","format":"Medium: ED; Size: 274-285","authors":["Spano, Tyler L. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000165729722)","Olds, Travis A. [Carnegie Museum of Natural History, Pittsburgh, PA (United States)] (ORCID:0000000153330802)","McDonnell, Marshall [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000237132117)","Smith, Robert [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000260581025)","Shields, Ashley E. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000210085242)"],"subjects":["98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL PROTECTION","uranyl sulfates","Raman spectroscopy","U(VI) minerals"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program","USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0003-004X","other_identifiers":["Journal ID: ISSN 0003-004X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301662"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301662"}]}, {"osti_id":"2283458","title":"Effect of Extinction on Quasar Luminosity Distances Determined from UV and X-Ray Flux Measurements","doi":"10.3847/1538-4357/ad11dc","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 961 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n In Khadka et al., a sample of X-ray-detected reverberation-mapped quasars was presented and applied for the comparison of cosmological constraints inferred using two well-established relations in active galactic nuclei—the X-ray/UV luminosity (\n <italic>L<\/italic>\n <sub>\n <italic>X<\/italic>\n <\/sub>\n –\n <italic>L<\/italic>\n <sub>UV<\/sub>\n ) relation and the broad-line region radius–luminosity (\n <italic>R<\/italic>\n –\n <italic>L<\/italic>\n ) relation.\n <italic>L<\/italic>\n <sub>\n <italic>X<\/italic>\n <\/sub>\n –\n <italic>L<\/italic>\n <sub>UV<\/sub>\n and\n <italic>R<\/italic>\n –\n <italic>L<\/italic>\n luminosity distances to the same quasars exhibit a distribution of their differences that is generally asymmetric and positively shifted for the six cosmological models we consider. We demonstrate that this behavior can be interpreted qualitatively as arising as a result of the dust extinction of UV/X-ray quasar emission. We show that the extinction always contributes to the nonzero difference between\n <italic>L<\/italic>\n <sub>\n <italic>X<\/italic>\n <\/sub>\n –\n <italic>L<\/italic>\n <sub>UV<\/sub>\n -based and\n <italic>R<\/italic>\n –\n <italic>L<\/italic>\n -based luminosity distances and we derive a linear relationship between the X-ray/UV color index\n <italic>E<\/italic>\n <sub>\n <italic>X<\/italic>\n −UV\n <\/sub>\n and the luminosity-distance difference, which also depends on the value of the\n <italic>L<\/italic>\n <sub>\n <italic>X<\/italic>\n <\/sub>\n –\n <italic>L<\/italic>\n <sub>UV<\/sub>\n relation slope. Taking into account the median and the peak values of the luminosity-distance difference distributions, the average X-ray/UV color index falls in the range of\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <msub>\n <mrow>\n <mover accent=\'true\'>\n <mrow>\n <mi>E<\/mi>\n <\/mrow>\n <mrow>\n <mo stretchy=\'true\'>¯<\/mo>\n <\/mrow>\n <\/mover>\n <\/mrow>\n <mrow>\n <mi>X<\/mi>\n <mo>−<\/mo>\n <mi>UV<\/mi>\n <\/mrow>\n <\/msub>\n <mo>=<\/mo>\n <mn>0.03<\/mn>\n <mo>–<\/mo>\n <mn>0.28<\/mn>\n <\/math>\n <inline-graphic href=\'apjad11dcieqn1.gif\' type=\'simple\'/>\n <\/inline-formula>\n mag for the current sample of 58 sources. This amount of extinction is typical for the majority of quasars and can be attributed to the circumnuclear and interstellar media of host galaxies. After applying the standard hard X-ray and far-UV extinction cuts, heavily extincted sources are removed but overall the shift toward positive values persists. The effect of extinction on luminosity distances is more pronounced for the\n <italic>L<\/italic>\n <sub>\n <italic>X<\/italic>\n <\/sub>\n –\n <italic>L<\/italic>\n <sub>UV<\/sub>\n relation since the extinction of UV and X-ray emissions both contribute.\n <\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"2","journal_volume":"961","format":"Medium: X; Size: Article No. 229","authors":["Zajaček, Michal (ORCID:0000000164501187)","Czerny, Bożena (ORCID:0000000158484333)","Khadka, Narayan (ORCID:0000000155122716)","Martínez-Aldama, Mary Loli (ORCID:0000000278437689)","Prince, Raj (ORCID:0000000211737310)","Panda, Swayamtrupta (ORCID:0000000258547426)","Ratra, Bharat (ORCID:0000000273070726)"],"article_type":"Published Article","doe_contract_number":"SC0011840","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283458"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283458"}]}, {"osti_id":"2283801","title":"Quantum Dot Fluorescent Imaging: Using Atomic Structure Correlation Studies to Improve Photophysical Properties","doi":"10.1021/acs.jpcc.3c07367","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry. C Journal Volume: 128 Journal Issue: 9","description":"Efforts to study intricate, higher-order cellular functions have called for fluorescence imaging under physiologically relevant conditions such as tissue systems in simulated native buffers. This endeavor has presented novel challenges for fluorescent probes initially designed for use in simple buffers and monolayer cell culture. Among current fluorescent probes, semiconductor nanocrystals, or quantum dots (QDs), offer superior photophysical properties that are the products of their nanoscale architectures and chemical formulations. While their high brightness and photostability are ideal for these biological environments, even state of the art QDs can struggle under certain physiological conditions. A recent method correlating electron microscopy ultrastructure with single-QD fluorescence has begun to highlight subtle structural defects in QDs once believed to have no significant impact on photoluminescence (PL). Specific defects, such as exposed core facets, have been shown to quench QD PL in physiologically accurate conditions. For QD-based imaging in complex cellular systems to be fully realized, mechanistic insight and structural optimization of size and PL should be established. Insight from single QD resolution atomic structure and photophysical correlative studies provides a direct course to synthetically tune QDs to match these challenging environments.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-03-11T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry. C","journal_issue":"9","journal_volume":"128","format":"Medium: X; Size: p. 3632-3640","authors":["Torres, Ruben [Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37240, United States, Vanderbilt Institute of Chemical Biology, Vanderbilt University, Nashville, Tennessee 37240, United States, Vanderbilt Institute for Nanoscale Science and Engineering, Vanderbilt University, Nashville, Tennessee 37240, United States] (ORCID:000000016134389X)","Thal, Lucas B. [Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37240, United States, Vanderbilt Institute of Chemical Biology, Vanderbilt University, Nashville, Tennessee 37240, United States, Vanderbilt Institute for Nanoscale Science and Engineering, Vanderbilt University, Nashville, Tennessee 37240, United States] (ORCID:0000000243697827)","McBride, James R. [Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37240, United States, Vanderbilt Institute for Nanoscale Science and Engineering, Vanderbilt University, Nashville, Tennessee 37240, United States, Department of Electrical and Computer Engineering, Vanderbilt University, Nashville, Tennessee 37240, United States] (ORCID:0000000301617283)","Cohen, Bruce E. [The Molecular Foundry and Division of Molecular Biophysics & Integrated Bioimaging, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States] (ORCID:0000000336553638)","Rosenthal, Sandra J. [Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37240, United States, Vanderbilt Institute of Chemical Biology, Vanderbilt University, Nashville, Tennessee 37240, United States, Vanderbilt Institute for Nanoscale Science and Engineering, Vanderbilt University, Nashville, Tennessee 37240, United States, Department of Pharmacology, Vanderbilt University, Nashville, Tennessee 37240, United States, Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37240, United States] (ORCID:0000000245765854)"],"subjects":["Biological imaging","Fluorescence","Fluorescence imaging","Ligands","Quantum dots"],"article_type":"Published Article","doe_contract_number":"AC02-05CH1123; SC0012577; 1506587; NIH 5T32GM065086-19","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"National Science Foundation (NSF)"},{"name":"CBI Training"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","National Science Foundation (NSF)","CBI Training"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1932-7447","other_identifiers":["Journal ID: ISSN 1932-7447"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283801"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283801"}]}, {"osti_id":"2311522","title":"Chromosome-level assembly and analysis of <em>Camelina neglecta<\/em>: a novel diploid model for Camelina biotechnology research","doi":"10.1186/s13068-024-02466-9","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Biotechnology for Biofuels and Bioproducts; Journal Volume: 17; Journal Issue: 1","description":"Camelina neglecta is a new diploid Brassicaceae species, which has great research value because of its close relationship with the hexaploid oilseed crop Camelina sativa. Here, we report a chromosome-level assembly of C. neglecta with a total length of 210 Mb. By adopting PacBio sequencing and Hi-C technology, the C. neglecta genome was assembled into 6 chromosomes with scaffold N50 of 29.62 Mb. C. neglecta has undergone the whole-genome triplication (γ) shared among eudicots and two whole-genome duplications (α and β) shared by crucifers, but it has not undergone a specific whole-genome duplication event. By synteny analysis between C. neglecta and C. sativa, we successfully used the method of calculating Ks to distinguish the three subgenomes of C. sativa and determined that C. neglecta was closest to the first subgenome (SG1) of C. sativa. Further, transcriptomic analysis revealed the key genes associated with seed oil biosynthesis and its transcriptional regulation, including SAD, FAD2, FAD3, FAE1, ABI3, WRI1 and FUS3 displaying high expression levels in C. neglecta seeds. The high representability of C. neglecta as a model species for Camelina-based biotechnology research has been demonstrated for the first time. In particular, floral Agrobacterium tumefaciens infiltration-based transformation of C. neglecta, leading to overexpression of CvLPAT2, CpDGAT1 and CvFatB1 transgenes, was demonstrated for medium-chain fatty acid accumulation in C. neglecta seed oil. This study provides an important genomic resource and establishes C. neglecta as a new model for oilseed biotechnology research.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"BioMed Central","journal_name":"Biotechnology for Biofuels and Bioproducts","journal_issue":"1","journal_volume":"17","format":"Medium: ED; Size: Article No. 17","authors":["Wang, Shuo [Huazhong Agricultural University, Wuhan (China)]","Blume, Rostislav Y. [National Academy of Sciences of Ukraine, Kiev (Ukraine)]","Zhou, Zhi-Wei [Huazhong Agricultural University, Wuhan (China)]","Lu, Shaoping [Huazhong Agricultural University, Wuhan (China); Hubei Hongshan Laboratory, Wuhan (China)]","Nazarenus, Tara J. [University of Nebraska-Lincoln, NE (United States)]","Blume, Yaroslav B. [National Academy of Sciences of Ukraine, Kiev (Ukraine)]","Xie, Weibo [Huazhong Agricultural University, Wuhan (China); Hubei Hongshan Laboratory, Wuhan (China)]","Cahoon, Edgar B. [University of Nebraska-Lincoln, NE (United States)]","Chen, Ling-Ling [Guangxi University, Nanning (China)]","Guo, Liang [Huazhong Agricultural University, Wuhan (China); Hubei Hongshan Laboratory, Wuhan (China)]"],"subjects":["60 APPLIED LIFE SCIENCES","camelina","biofuel","oilseed","genome","biotechnology"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0023142","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER). Biological Systems Science (BSS)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER). Biological Systems Science (BSS)"],"orgs_research":[{"name":"Univ. of Nebraska, Lincoln, NE (United States)"}],"research_orgs":["Univ. of Nebraska, Lincoln, NE (United States)"],"journal_issn":"ISSN 2731-3654","other_identifiers":["Journal ID: ISSN 2731-3654"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311522"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2311522"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311522"}]}, {"osti_id":"2275027","title":"Decorrelated singlet and triplet exciton delocalization in acetylene-bridged Zn-porphyrin dimers","doi":"10.1039/D3SC03327A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Chemical Science Journal Volume: 15 Journal Issue: 5","description":"<p>The controlled delocalization of molecular excitons remains an important goal towards the application of organic chromophores in processes ranging from light-initiated chemical transformations to classical and quantum information processing.<\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Chemical Science","journal_issue":"5","journal_volume":"15","format":"Medium: X; Size: p. 1736-1751","authors":["Medagedara, Hasini [Department of Chemistry, Wayne State University, Detroit, MI 48202, USA]","Teferi, Mandefro Y. [Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA]","Wanasinghe, Sachithra T. [Department of Chemistry, Wayne State University, Detroit, MI 48202, USA]","Burson, Wade [Department of Chemistry, Wayne State University, Detroit, MI 48202, USA]","Kizi, Shahad [Department of Chemistry, Wayne State University, Detroit, MI 48202, USA]","Zaslona, Bradly [Department of Chemistry, Wayne State University, Detroit, MI 48202, USA]","Mardis, Kristy L. [Department of Chemistry, Physics, and Engineering Sciences, Chicago State University, Chicago, IL, 60628, USA] (ORCID:0000000326339304)","Niklas, Jens [Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA] (ORCID:0000000264622680)","Poluektov, Oleg G. [Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA] (ORCID:0000000330679272)","Rury, Aaron S. [Department of Chemistry, Wayne State University, Detroit, MI 48202, USA] (ORCID:0000000218361424)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-6520","other_identifiers":["Journal ID: ISSN 2041-6520; CSHCBM"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2275027"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2275027"}]}, {"osti_id":"2278888","title":"Selective poly(vinyl ether) upcycling\n <i>via<\/i>\n photooxidative degradation with visible light","doi":"10.1039/D3SC05613A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Chemical Science Journal Volume: 15 Journal Issue: 5","description":"<p>Selective chemical upcycling of poly(isobutyl vinyl ether) was achieved using photooxidative degradation, producing oxidized small molecules that can be tuned depending on a choice of photocatalysts.<\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Chemical Science","journal_issue":"5","journal_volume":"15","format":"Medium: X; Size: p. 1840-1845","authors":["Langer, Darren L. [Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, USA]","Oh, Sewon [Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, USA] (ORCID:0000000264534621)","Stache, Erin E. [Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, USA, Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA] (ORCID:0000000246709117)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-6520","other_identifiers":["Journal ID: ISSN 2041-6520; CSHCBM"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2278888"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2278888"}]}, {"osti_id":"2283487","title":"Potentially Massive and Global Non-Pyrogenic Production of Condensed “Black” Carbon through Biomass Oxidation","doi":"10.1021/acs.est.3c05448","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Environmental Science and Technology Journal Volume: 58 Journal Issue: 6","description":"With the increased occurrences of wildfires worldwide, there has been an increase in scientific interest surrounding the chemistry of fire-derived “black” carbon (BC). Traditionally, wildfire research has assumed that condensed aromatic carbon (ConAC) is exclusively produced via combustion, and thus, ConAC is equated to BC. However, the lack of correlations between ConAC in soils or rivers and wildfire history suggests that ConAC may be produced non-pyrogenically. Here, we show quantitative evidence that this occurs during the oxidation of biomass with environmentally ubiquitous hydroxyl radicals. Pine wood boards exposed to iron nails and natural weather conditions for 12 years yielded a charcoal-like ConAC-rich material. ConAC was also produced during laboratory oxidations of pine, maple, and brown-rotted oak woods, as well as algae, corn root, and tree bark. Back-of-the-envelope calculations suggest that biomass oxidation could be producing massive non-pyrogenic ConAC fluxes to terrestrial and aquatic environments. These estimates (e.g., 163–182 Tg-ConAC/year to soils) are much higher than the estimated pyrogenic “BC” fluxes (e.g., 128 Tg-ConAC/year to soils) implying that environmental ConAC is primarily non-pyrogenic. This novel perspective suggests that wildfire research trajectories should shift to assessing non-pyrogenic ConAC sources and fluxes, developing new methods for quantifying true BC, and establishing a new view of ConAC as an intermediate species in the biogeochemical processing of biomass during soil humification, aquatic photochemistry, microbial degradation, or mineral–organic matter interactions. We also advise against using BC or pyrogenic carbon (pyC) terminologies for ConAC measured in environmental matrices, unless a pyrogenic source can be confidently assigned.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"American Chemical Society","journal_name":"Environmental Science and Technology","journal_issue":"6","journal_volume":"58","format":"Medium: X; Size: p. 2750-2761","authors":["Goranov, Aleksandar I. [Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, Virginia 23529 United States] (ORCID:0000000251030838)","Chen, Hongmei [Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, Virginia 23529 United States] (ORCID:000000032460838X)","Duan, Jianshu [Department of Geosciences, Princeton University, Princeton, New Jersey 08544 United States]","Myneni, Satish C. B. [Department of Geosciences, Princeton University, Princeton, New Jersey 08544 United States]","Hatcher, Patrick G. [Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, Virginia 23529 United States]"],"subjects":["54 ENVIRONMENTAL SCIENCES","black carbon","condensed aromatic carbon (ConAC)","global carbon cycle","biomass","biomass conversion","oxidation","soils","wood"],"article_type":"Published Article","doe_contract_number":"SC0012704","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"],"orgs_research":[{"name":"Old Dominion Univ., Norfolk, VA (United States)"}],"research_orgs":["Old Dominion Univ., Norfolk, VA (United States)"],"journal_issn":"ISSN 0013-936X","other_identifiers":["Journal ID: ISSN 0013-936X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283487"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283487"}]}, {"osti_id":"2284001","title":"Water adsorption on MoS\n <sub>2<\/sub>\n under realistic atmosphere conditions and impacts on tribology","doi":"10.1039/D3RA07984H","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: RSC Advances Journal Volume: 14 Journal Issue: 7","description":"<p>\n Snapshot of a simulation showing water molecules adsorbing on a sheet of molybdenum disulfide (MoS\n <sub>2<\/sub>\n ).\n <\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-06T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"RSC Advances","journal_issue":"7","journal_volume":"14","format":"Medium: X; Size: p. 4717-4729","authors":["Bobbitt, N. Scott [Material, Physical, and Chemical Sciences Center, Sandia National Laboratories, Albuquerque, New Mexico 87123, USA] (ORCID:0000000211558910)","Curry, John F. [Material, Physical, and Chemical Sciences Center, Sandia National Laboratories, Albuquerque, New Mexico 87123, USA] (ORCID:0000000326111297)","Babuska, Tomas F. [Material, Physical, and Chemical Sciences Center, Sandia National Laboratories, Albuquerque, New Mexico 87123, USA]","Chandross, Michael [Material, Physical, and Chemical Sciences Center, Sandia National Laboratories, Albuquerque, New Mexico 87123, USA] (ORCID:0000000349001314)"],"article_type":"Published Article","doe_contract_number":"NA0003525","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2046-2069","other_identifiers":["Journal ID: ISSN 2046-2069; RSCACL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2284001"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2284001"}]}, {"osti_id":"2316007","title":"Controlling the Phase Transformation of Alumina for Enhanced Stability and Catalytic Properties","report_number":"PNNL-SA-194943","doi":"10.1002/anie.202400270","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Angewandte Chemie (International Edition)","description":"Current transition alumina catalysts require the presence of significant amounts of toxic, environmentally deleterious dopants for their stabilization. Herein, we report a simple and novel strategy to engineer transition aluminas to withstand aging temperatures up to 1200 °C without inducing the transformation to low-surface-area α-Al<sub>2<\/sub>O<sub>3<\/sub> and without requiring dopants. By judiciously optimizing the abundance of dominant facets and the interparticle distance, we can control the temperature of the phase transformation from θ-Al<sub>2<\/sub>O<sub>3<\/sub> to α-Al<sub>2<\/sub>O<sub>3<\/sub> and the specific surface sites on the latter. These specific surface sites provide favorable interactions with supported metal catalysts, leading to improved metal dispersion and greatly enhanced catalytic activity for hydrocarbon oxidation. Further, the results presented herein not only provide molecular-level insights into the critical factors causing deactivation and phase transformation of aluminas but also pave the way for the development of catalysts with improved activity for catalytic hydrocarbon oxidation.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-03-04T00:00:00Z","publisher":"Wiley","journal_name":"Angewandte Chemie (International Edition)","format":"Medium: ED; Size: Article No. e202400270","authors":["Jang, Sejin [Ulsan National Institute of Science and Technology (UNIST), Ulsan (Korea, Republic of)]","Gun Oh, Dong [Ulsan National Institute of Science and Technology (UNIST), Ulsan (Korea, Republic of)]","Kim, Haneul [Ulsan National Institute of Science and Technology (UNIST), Ulsan (Korea, Republic of)]","Hyun Kim, Kwang [Ulsan National Institute of Science and Technology (UNIST), Ulsan (Korea, Republic of)]","Khivantsev, Konstantin [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Kovarik, Libor [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Hun Kwak, Ja [Ulsan National Institute of Science and Technology (UNIST), Ulsan (Korea, Republic of)] (ORCID:0000000152450765)"],"subjects":["alpha-alumina","interparticle distance","phase transformation","surface property","Pd dispersion"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-76RL01830; 2017R1 A2B4007310; FWP 47319","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"},{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"National Research Foundation of Korea (NRF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)","USDOE Laboratory Directed Research and Development (LDRD) Program","National Research Foundation of Korea (NRF)"],"orgs_research":[{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 1433-7851","other_identifiers":["Journal ID: ISSN 1433-7851"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2316007"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2316007"}]}, {"osti_id":"2283454","title":"MEGASIM: Distribution and Detection of Earth Trojan Asteroids","doi":"10.3847/1538-4357/ad1396","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 961 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Using\n <italic>N<\/italic>\n -body simulation results from the MEGASIM data set, we present spatial distributions of Earth Trojan Asteroids and assess the detectability of the population in current and next-generation ground-based astronomical surveys. Our high-fidelity Earth Trojan Asteroid (ETA) distribution maps show never-before-seen high-resolution spatial features that evolve over timescales up to 1 Gyr. The simulation was synchronized to start times and timelines of two observational astronomy surveys: (1) the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST) and (2) the Zwicky Transient Facility (ZTF). We calculate upper limits for the number of ETAs potentially observable with both the ZTF and LSST surveys. Due to the Yarkovsky Effect, we find no stable ETAs on billion-year timescales likely to be detected by any ETA survey, as no C-type or S-type ETAs (with\n <italic>H<\/italic>\n < 22 and\n <italic>H<\/italic>\n < 24, respectively) are likely to be stable on billion-year timescales, and ETAs large enough to remain stable on billion-year timescales are very rare relative to the rest of the ETA population. We find that a twilight ETA survey will not drastically increase the likelihood of individual ETA detection, but it would provide orders of magnitude more observations of select ETA populations. The null detection to date from ZTF restricts the potential ETA population to hundreds of objects larger than 100 m (at\n <italic>H<\/italic>\n ≈ 22), while a null detection by LSST will further restrict the ETA population to tens of objects larger than 100 m.\n <\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"2","journal_volume":"961","format":"Medium: X; Size: Article No. 250","authors":["Yeager, Travis (ORCID:0000000225820190)","Golovich, Nathan (ORCID:000000032632572X)","Pruett, Kerianne (ORCID:0000000229118657)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283454"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283454"}]}, {"osti_id":"2287713","title":"Nematic superconductivity from selective orbital pairing in iron pnictide single crystals","doi":"10.1016/j.xcrp.2024.101816","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Cell Reports Physical Science Journal Volume: 5 Journal Issue: 2","description":"The discovery of iron-based superconductors proves that high-temperature superconductivity is not limited to cuprates. Here, we use transport measurements to determine the in-plane anisotropy of the upper critical field (H<sub>c2<\/sub>) in detwinned superconducting Ba(Fe<sub>1-x<\/sub>M<sub>x<\/sub>)<sub>2<\/sub>As<sub>2<\/sub> (M = Co, Ni) single crystals. In previous measurements on twinned single crystals, the charge carrier doping dependence of the H<sub>c2<\/sub> anisotropy for fields along inter-planar and in-plane directions was found to increase in the over-doped regime. For underdoped samples with a spin-nematic phase below the tetragonal-to-orthorhombic structural transition temperature, we find that H<sub>c2<\/sub> along the a axis is considerably lower than that along the b axis. This H<sub>c2<\/sub> anisotropy disappears in the over-doped regime when the system becomes tetragonal. By combining these results with previous works, we conclude that superconductivity in underdoped iron pnictides is orbital selective—with a dominant contribution from electrons with the d<sub>yz<\/sub> orbital character and from being intimately associated with spin excitations.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-27T00:00:00Z","publisher":"Elsevier","journal_name":"Cell Reports Physical Science","journal_issue":"2","journal_volume":"5","format":"Medium: X; Size: Article No. 101816","authors":["Klemm, Mason L.","Mozaffari, Shirin","Zhang, Rui","Casas, Brian W.","Koshelev, Alexei E.","Yi, Ming","Balicas, Luis","Dai, Pengcheng (ORCID:0000000260883170)"],"subjects":["iron-based superconductors","strain","nematicity","superconducting phase diagram","anisotropy","high magnetic field"],"article_type":"Published Article","doe_contract_number":"SC0012311; SC0002613; GBMF9470; DMR-1644779","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"Gordon and Betty Moore Foundation"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","Gordon and Betty Moore Foundation","National Science Foundation (NSF)"],"orgs_research":[{"name":"Florida State Univ., Tallahassee, FL (United States)"}],"research_orgs":["Florida State Univ., Tallahassee, FL (United States)"],"journal_issn":"ISSN 2666-3864","other_identifiers":["Journal ID: ISSN 2666-3864; S2666386424000419; 101816; PII: S2666386424000419"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287713"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287713"}]}, {"osti_id":"2280726","title":"In\n <sub>2<\/sub>\n Si\n <sub>2<\/sub>\n S\n <sub>3<\/sub>\n X\n <sub>3<\/sub>\n (X = S, Se, Te) Janus monolayers: from magnetic element-free spin-Hall transistor to sustainable energy generation","doi":"10.1039/D3TC03805J","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry C Journal Volume: 12 Journal Issue: 5","description":"<p>\n In\n <sub>2<\/sub>\n Si\n <sub>2<\/sub>\n S\n <sub>3<\/sub>\n X\n <sub>3<\/sub>\n  (X = S, Se, Te) Janus monolayers: a multifunctional semiconductors,\n <\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry C","journal_issue":"5","journal_volume":"12","format":"Medium: X; Size: p. 1888-1896","authors":["Mohanta, Manish Kumar [Department of Physics, Virginia Commonwealth University, Richmond, VA 23284, USA] (ORCID:0000000254768336)","Jena, Puru [Department of Physics, Virginia Commonwealth University, Richmond, VA 23284, USA] (ORCID:000000022316859X)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7526","other_identifiers":["Journal ID: ISSN 2050-7526; JMCCCX"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2280726"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2280726"}]}, {"osti_id":"2281749","title":"Observations of how boundary conditions affect estimates of Poisson\'s ratio from simulated mode shapes","report_number":"LA-UR-23-28328","doi":"10.1016/j.matdes.2024.112672","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Materials & Design Journal Volume: 238 Journal Issue: C","description":"This research extends a method for direct estimation of Poisson\'s ratio from mode shapes of plates with hinged-hinged boundary conditions to include combinations of clamped and free boundary conditions. Using finite element simulations, we observe the effects of boundary conditions on the estimate of Poisson\'s ratio using the combination of Time-Average Scanning Digital Holography and Cornu\'s method. First, we introduce the abstraction of the span-to-width ratio to an effective antinode region. This abstraction enables us to extend the direct estimation technique to plates with various boundary conditions. Second, for long and thin enough plates, the effects of boundary conditions become negligible and Cornu\'s method is sufficient for direct estimation of the true value of Poisson\'s ratio from an out-of-plane bending mode shape. We note that for many situations, the necessary plate dimensions could be a limitation. Therefore, as a third concept, we discuss the behavior of the direct estimate of Poisson\'s ratio with respect to each type of boundary condition. Ultimately, this research initiates a path forward for a common processing technique for making a direct estimate of Poisson\'s ratio across different types of opposing boundary conditions for thin plates.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Elsevier","journal_name":"Materials & Design","journal_issue":"C","journal_volume":"238","format":"Medium: X; Size: Article No. 112672","authors":["Luceadams, Matthew (ORCID:0000000333123595)","Steinzig, Michael","Abdelkefi, Abdessattar"],"subjects":["36 MATERIALS SCIENCE","Time-average holography","Cornu\'s method","Effective Antinode ratio","Poisson\'s ratio","Mode shape","Boundary conditions"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001; LA-UR-23-28328","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 0264-1275","other_identifiers":["Journal ID: ISSN 0264-1275; S0264127524000443; 112672; PII: S0264127524000443"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281749"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281749"}]}, {"osti_id":"2283469","title":"Using AI for Wave-front Estimation with the Rubin Observatory Active Optics System","doi":"10.3847/1538-3881/ad1661","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astronomical Journal Journal Volume: 167 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>The Vera C. Rubin Observatory will, over a period of 10 yr, repeatedly survey the southern sky. To ensure that images generated by Rubin meet the quality requirements for precision science, the observatory will use an active-optics system (AOS) to correct for alignment and mirror surface perturbations introduced by gravity and temperature gradients in the optical system. To accomplish this, Rubin will use out-of-focus images from sensors located at the edge of the focal plane to learn and correct for perturbations to the wave front. We have designed and integrated a deep-learning (DL) model for wave-front estimation into the AOS pipeline. In this paper, we compare the performance of this DL approach to Rubin’s baseline algorithm when applied to images from two different simulations of the Rubin optical system. We show the DL approach is faster and more accurate, achieving the atmospheric error floor both for high-quality images and low-quality images with heavy blending and vignetting. Compared to the baseline algorithm, the DL model is 40× faster, the median error 2× better under ideal conditions, 5× better in the presence of vignetting by the Rubin camera, and 14× better in the presence of blending in crowded fields. In addition, the DL model surpasses the required optical quality in simulations of the AOS closed loop. This system promises to increase the survey area useful for precision science by up to 8%. We discuss how this system might be deployed when commissioning and operating Rubin.<\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astronomical Journal","journal_issue":"2","journal_volume":"167","format":"Medium: X; Size: Article No. 86","authors":["Crenshaw, John Franklin (ORCID:0000000224953514)","Connolly, Andrew J. (ORCID:0000000155768189)","Meyers, Joshua E. (ORCID:0000000223084230)","Kalmbach, J. Bryce (ORCID:0000000268255283)","Megias Homar, Guillem (ORCID:0000000160131131)","Ribeiro, Tiago (ORCID:0000000201381365)","Suberlak, Krzysztof (ORCID:0000000295891306)","Thomas, Sandrine (ORCID:0000000291213436)","Tsai, Te-Wei (ORCID:0009000757324160)"],"article_type":"Published Article","doe_contract_number":"SC0011665; AC02-76SF00515","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-6256","other_identifiers":["Journal ID: ISSN 0004-6256"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283469"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283469"}]}, {"osti_id":"2283489","title":"Spectacular Nucleosynthesis from Early Massive Stars","doi":"10.3847/2041-8213/ad19c4","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal. Letters Journal Volume: 961 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Stars that formed with an initial mass of over 50\n <italic>M<\/italic>\n <sub>⊙<\/sub>\n are very rare today, but they are thought to be more common in the early Universe. The fates of those early, metal-poor, massive stars are highly uncertain. Most are expected to directly collapse to black holes, while some may explode as a result of rotationally powered engines or the pair-creation instability. We present the chemical abundances of J0931+0038, a nearby low-mass star identified in early follow-up of the SDSS-V Milky Way Mapper, which preserves the signature of unusual nucleosynthesis from a massive star in the early Universe. J0931+0038 has a relatively high metallicity ([Fe/H] = −1.76 ± 0.13) but an extreme odd–even abundance pattern, with some of the lowest known abundance ratios of [N/Fe], [Na/Fe], [K/Fe], [Sc/Fe], and [Ba/Fe]. The implication is that a majority of its metals originated in a single extremely metal-poor nucleosynthetic source. An extensive search through nucleosynthesis predictions finds a clear preference for progenitors with initial mass >50\n <italic>M<\/italic>\n <sub>⊙<\/sub>\n , making J0931+0038 one of the first observational constraints on nucleosynthesis in this mass range. However, the full abundance pattern is not matched by any models in the literature. J0931+0038 thus presents a challenge for the next generation of nucleosynthesis models and motivates the study of high-mass progenitor stars impacted by convection, rotation, jets, and/or binary companions. Though rare, more examples of unusual early nucleosynthesis in metal-poor stars should be found in upcoming large spectroscopic surveys.\n <\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-02T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal. Letters","journal_issue":"2","journal_volume":"961","format":"Medium: X; Size: Article No. L41","authors":["Ji, Alexander P. (ORCID:0000000248638842)","Curtis, Sanjana (ORCID:000000023211303X)","Storm, Nicholas (ORCID:0000000252593974)","Chandra, Vedant (ORCID:0000000205728012)","C. Schlaufman, Kevin (ORCID:0000000157616779)","G. Stassun, Keivan (ORCID:0000000234819052)","Heger, Alexander (ORCID:0000000236841325)","Pignatari, Marco (ORCID:0000000290486010)","Price-Whelan, Adrian M. (ORCID:0000000308727098)","Bergemann, Maria (ORCID:0000000299085571)","Stringfellow, Guy S. (ORCID:0000000314793059)","Fröhlich, Carla (ORCID:0000000301912477)","Reggiani, Henrique (ORCID:0000000165336179)","Holmbeck, Erika M. (ORCID:0000000254636800)","Tayar, Jamie (ORCID:0000000248187885)","Shah, Shivani P. (ORCID:0000000233672394)","Griffith, Emily J. (ORCID:0000000193459977)","Laporte, Chervin F. P. (ORCID:0000000339227336)","Casey, Andrew R. (ORCID:0000000301740564)","Hawkins, Keith (ORCID:0000000214232174)","Horta, Danny (ORCID:0000000318562151)","Cerny, William (ORCID:0000000316977062)","Thibodeaux, Pierre (ORCID:0000000238673927)","Usman, Sam A. (ORCID:0000000309187185)","Amarante, João A. S. (ORCID:0000000276625475)","Beaton, Rachael L. (ORCID:0000000216918217)","Cargile, Phillip A. (ORCID:0000000216178917)","Chiappini, Cristina (ORCID:0000000312697282)","Conroy, Charlie (ORCID:0000000215908551)","Johnson, Jennifer A. (ORCID:0000000172581834)","Kollmeier, Juna A. (ORCID:0000000198521610)","Li, Haining (ORCID:0000000203899264)","Loebman, Sarah (ORCID:0000000332175967)","Meynet, Georges (ORCID:0000000161811323)","Bizyaev, Dmitry (ORCID:000000023601133X)","Brownstein, Joel R. (ORCID:0000000287251069)","Gupta, Pramod (ORCID:0000000239562102)","Morrison, Sean (ORCID:0000000267702627)","Pan, Kaike (ORCID:0000000228352556)","Ramirez, Solange V.","Rix, Hans-Walter (ORCID:0000000349969069)","Sánchez-Gallego, José (ORCID:0000000324863858)"],"article_type":"Published Article","doe_contract_number":"FG02-02ER41216","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-8205","other_identifiers":["Journal ID: ISSN 2041-8205"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283489"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283489"}]}, {"osti_id":"2301786","title":"Insights on seasonal solifluction processes in warm permafrost Arctic landscape using a dense monitoring approach across adjacent hillslopes","doi":"10.1088/1748-9326/ad28dc","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Environmental Research Letters","description":"<title>Abstract<\/title>\n <p>Solifluction processes in the Arctic are highly complex, introducing uncertainties in estimating current and future soil carbon storage and fluxes, and assessment of hillslope and infrastructure stability. This study aims to enhance our understanding of triggers and drivers of soil movement of permafrost-affected hillslopes in the Arctic. To achieve this, we established an extensive soil deformation and temperature sensor network, covering 48 locations across multiple hillslopes within a 1 km² watershed on the Seward Peninsula, AK. We report depth-resolved measurements down to 1.8 m depth for May to September 2022, a period conducive to soil movement due to deepening thaw layers and frequent rain events. Over this period, surface movements of up to 334 mm were recorded. In general, these movements occur close to the thawing front, and are initiated as thawing reaches depths of 0.4 to 0.75 m. The largest movements were observed at the top of the south-east facing slope, where soil temperatures are cold (mean annual soil temperatures averaging -1.13°C) and slopes are steeper than 15°. Our analysis highlights three primary factors influencing movements: slope angle, soil thermal conditions, and thaw depth. The latter two significantly impact the generation of pore water pressures at the thaw–freeze interface. Specifically, soil thermal conditions govern the liquid water content, while thaw depth influences both the height of the water column and, consequently, the pressure at the thawing front. These factors affect soil properties, such as cohesion and internal friction angle, which are crucial determinants of slope stability. This underscores the significance of a precise understanding of subsurface thermal conditions, including spatial and temporal variability in soil temperature and thaw depth, when assessing and predicting slope instabilities. Based on our observations, we developed a Factor of Safety proxy that consistently falls below the triggering threshold for all probes exhibiting displacements exceeding 50 mm. This study offers novel insights into patterns and triggers of hillslope movements in the Arctic and provides a venue to evaluate their impact on soil redistribution.<\/p>","publication_date":"2024-02-13T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"IOP Publishing","journal_name":"Environmental Research Letters","format":"Medium: X","authors":["Fiolleau, Sylvain (ORCID:0000000162698676)","Uhlemann, Sebastian","Shirley, Ian A. (ORCID:0000000222291414)","Wang, Chen (ORCID:0000000195087425)","Wielandt, Stijn","Rowland, Joel","Dafflon, Baptiste"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1748-9326","other_identifiers":["Journal ID: ISSN 1748-9326"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301786"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301786"}]}, {"osti_id":"2283460","title":"Switchgrass (\n <i>Panicum virgatum<\/i>\n L.) cultivars have similar impacts on soil carbon and nitrogen stocks and microbial function","doi":"10.1111/gcbb.13125","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Global Change Biology. Bioenergy Journal Volume: 16 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n Switchgrass (\n <italic>Panicum virgatum<\/italic>\n L.) production for biofuel has the potential to produce reasonable yields on lands not suited for conventional agriculture. We assessed nine switchgrass cultivars representing lowland and upland ecotypes grown for 11 years at a site in the upper Midwest USA for belowground differences in soil carbon and nitrogen stocks, soil organic matter fractions, and standing root biomass to 1 m depth. We also compared potential nitrogen mineralization and carbon substrate use through community‐level physiological profiling in surface soils (0–10 cm depth). Average yields and standing root biomass differed among cultivars and between ecotypes, but we found no significant cultivar‐related impacts on soil carbon and nitrogen stocks, on the distribution of particulate and mineral‐associated soil organic matter fractions, nor on potential nitrogen mineralization or microbial community‐level physiological profiles. That these traits did not differ among cultivars suggests that soil carbon and nitrogen gains under switchgrass are likely to be robust with respect to cultivar differences, and to this point not much affected by breeding efforts.\n <\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-29T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"Global Change Biology. Bioenergy","journal_issue":"3","journal_volume":"16","format":"Medium: X","authors":["Mosier, Samantha [Great Lakes Bioenergy Research Center Michigan State University East Lansing Michigan USA, W. K. Kellogg Biological Station Michigan State University Hickory Corners Michigan USA, Department of Plant, Soil and Microbial Sciences Michigan State University East Lansing Michigan USA] (ORCID:0000000230322014)","Kelly, Lauren [Great Lakes Bioenergy Research Center Michigan State University East Lansing Michigan USA, W. K. Kellogg Biological Station Michigan State University Hickory Corners Michigan USA, Department of Plant, Soil and Microbial Sciences Michigan State University East Lansing Michigan USA]","Ozlu, Ekrem [Great Lakes Bioenergy Research Center Michigan State University East Lansing Michigan USA, W. K. Kellogg Biological Station Michigan State University Hickory Corners Michigan USA, Department of Plant, Soil and Microbial Sciences Michigan State University East Lansing Michigan USA] (ORCID:0000000312253243)","Robertson, G. Philip [Great Lakes Bioenergy Research Center Michigan State University East Lansing Michigan USA, W. K. Kellogg Biological Station Michigan State University Hickory Corners Michigan USA, Department of Plant, Soil and Microbial Sciences Michigan State University East Lansing Michigan USA] (ORCID:0000000197719895)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1757-1693","other_identifiers":["Journal ID: ISSN 1757-1693; e13125"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283460"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283460"}]}, {"osti_id":"2282617","title":"Design, characterization and installation of the NEXT-100 cathode and electroluminescence regions","report_number":"FERMILAB-PUB-23-680-ND; arXiv:2311.03528","doi":"10.1088/1748-0221/19/02/p02007","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Instrumentation; Journal Volume: 19; Journal Issue: 02","description":"NEXT-100 is currently being constructed at the Laboratorio Subterráneo de Canfranc in the Spanish Pyrenees and will search for neutrinoless double beta decay using a high-pressure gaseous time projection chamber (TPC) with 100 kg of xenon. Charge amplification is carried out via electroluminescence (EL) which is the process of accelerating electrons in a high electric field region causing secondary scintillation of the medium proportional to the initial charge. The NEXT-100 EL and cathode regions are made from tensioned hexagonal meshes of 1 m diameter. This paper describes the design, characterization, and installation of these parts for NEXT-100. Simulations of the electric field are performed to model the drift and amplification of ionization electrons produced in the detector under various EL region alignments and rotations. Measurements of the electrostatic breakdown voltage in air characterize performance under high voltage conditions and identify breakdown points. Furthermore, the electrostatic deflection of the mesh is quantified and fit to a first-principles mechanical model. Measurements were performed with both a standalone test EL region and with the NEXT-100 EL region before its installation in the detector. Finally, we describe the parts as installed in NEXT-100, following their deployment in Summer 2023.","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Institute of Physics (IOP)","journal_name":"Journal of Instrumentation","journal_issue":"02","journal_volume":"19","format":"Medium: ED; Size: Article No. P02007","authors":["Mistry, K. [University of Texas at Arlington, TX (United States); The NEXT Collaboration. et al.]","Rogers, L.","Jones, B. J.P.","Munson, B.","Norman, L.","Oliver, D.","Pingulkar, S.","Rodriguez-Tiscareno, M.","Silva, K.","Stogsdill, K.","Adams, C.","Almazán, H.","Álvarez, V.","Aparicio, B.","Aranburu, A. I.","Arazi, L.","Arnquist, I. J.","Auria-Luna, F.","Ayet, S.","Azevedo, C. D.R.","Bailey, K.","Ballester, F.","del Barrio-Torregrosa, M.","Bayo, A.","Benlloch-Rodríguez, J. M.","Borges, F. I.G.M.","Brodolin, A.","Byrnes, N.","Cárcel, S.","Castillo, A.","Cebrián, S.","Church, E.","Cid, L.","Conde, C. A.N.","Contreras, T.","Cossío, F. P.","Dey, E.","Díaz, G.","Dickel, T.","Echevarria, C.","Elorza, M.","Escada, J.","Esteve, R.","Felkai, R.","Fernandes, L. M.P.","Ferrario, P.","Ferreira, A. L.","Foss, F. W.","Freitas, E. D.C.","Freixa, Z.","Gómez-Cadenas, J. J.","González, R.","Grocott, J. W.R.","Guenette, R.","Hafidi, K.","Hauptman, J.","Henriques, C. A.O.","Hernando Morata, J. A.","Herrero-Gómez, P.","Herrero, V.","Hervés Carrete, C.","Ifergan, Y.","Larizgoitia, L.","Larumbe, A.","Lebrun, P.","Lopez, F.","López-March, N.","Madigan, R.","Mano, R. D.P.","Marques, A. P.","Martín-Albo, J.","Martínez-Lema, G.","Martínez-Vara, M.","Meziani, Z. E.","Miller, R. L.","Molina-Canteras, J.","Monrabal, F.","Monteiro, C. M.B.","Mora, F. J.","Navarro, K. E.","Novella, P.","Nuñez, A.","Nygren, D. R.","Oblak, E.","Palacio, J.","Palmeiro, B.","Para, A.","Parmaksiz, I.","Pelegrin, J.","Pérez Maneiro, M.","Querol, M.","Redwine, A. B.","Renner, J.","Rivilla, I.","Rogero, C.","Romeo, B.","Romo-Luque, C.","Santos, F. P.","dos Santos, J. M.F.","Seemann, M.","Shomroni, I.","Simón, A.","Soleti, S. R.","Sorel, M.","Soto-Oton, J.","Teixeira, J. M.R.","Toledo, J. F.","Torrent, J.","Trettin, A.","Usón, A.","Veloso, J. F.C.A.","Waiton, J.","Yubero, A."],"subjects":["46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY"],"article_type":"Accepted Manuscript","contributing_org":"The NEXT Collaboration","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"},{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States)","Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 1748-0221","other_identifiers":["Journal ID: ISSN 1748-0221; oai:inspirehep.net:2719952"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2282617"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2282617"}]}, {"osti_id":"2283464","title":"Rapid detection of mexX in Pseudomonas aeruginosa based on CRISPR-Cas13a coupled with recombinase polymerase amplification","doi":"10.3389/fmicb.2024.1341179","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Frontiers in Microbiology Journal Volume: 15","description":"<p>\n The principal pathogen responsible for chronic urinary tract infections, immunocompromised hosts, and cystic fibrosis patients is\n <italic>Pseudomonas aeruginosa<\/italic>\n , which is difficult to eradicate. Due to the extensive use of antibiotics, multidrug-resistant\n <italic>P. aeruginosa<\/italic>\n has evolved, complicating clinical therapy. Therefore, a rapid and efficient approach for detecting\n <italic>P. aeruginosa<\/italic>\n strains and their resistance genes is necessary for early clinical diagnosis and appropriate treatment. This study combines recombinase polymerase amplification (RPA) and clustered regularly interspaced short palindromic repeats-association protein 13a (CRISPR-Cas13a) to establish a one-tube and two-step reaction systems for detecting the\n <italic>mexX<\/italic>\n gene in\n <italic>P. aeruginosa<\/italic>\n . The test times for one-tube and two-step RPA-Cas13a methods were 5 and 40 min (including a 30 min RPA amplification reaction), respectively. Both methods outperform Quantitative Real-time Polymerase Chain Reactions (qRT-PCR) and traditional PCR. The limit of detection (LoD) of\n <italic>P. aeruginosa<\/italic>\n genome in one-tube and two-step RPA-Cas13a is 10 aM and 1 aM, respectively. Meanwhile, the designed primers have a high specificity for\n <italic>P. aeruginosa mexX<\/italic>\n gene. These two methods were also verified with actual samples isolated from industrial settings and demonstrated great accuracy. Furthermore, the results of the two-step RPA-Cas13a assay could also be visualized using a commercial lateral flow dipstick with a LoD of 10 fM, which is a useful adjunt to the gold-standard qRT-PCR assay in field detection. Taken together, the procedure developed in this study using RPA and CRISPR-Cas13a provides a simple and fast way for detecting resistance genes.\n <\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Microbiology","journal_volume":"15","format":"Medium: X","authors":["Zhu, Xiao-Xuan","Wang, Ying-Si","Li, Su-Juan","Peng, Ru-Qun","Wen, Xia","Peng, Hong","Shi, Qing-Shan","Zhou, Gang","Xie, Xiao-Bao","Wang, Jie"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"}],"sponsor_orgs":["USDOE Office of Electricity (OE), Advanced Grid Research & Development. Power Systems Engineering Research"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1664-302X","other_identifiers":["Journal ID: ISSN 1664-302X; 1341179"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283464"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283464"}]}, {"osti_id":"2283595","title":"The pore structure and water absorption in Portland/slag blended hardened cement paste determined by synchrotron X-ray microtomography and neutron radiography","doi":"10.1039/D3RA06489A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: RSC Advances Journal Volume: 14 Journal Issue: 7","description":"<p>The development of the pore structures of hardened Portland/slag cement pastes for sample ages up to 1 year, and the absorption of moisture through these pores, are monitored and quantified using X-ray and neutron techniques.<\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-02T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"RSC Advances","journal_issue":"7","journal_volume":"14","format":"Medium: X; Size: p. 4389-4405","authors":["Vigor, James E. [School of Civil Engineering, University of Leeds, Woodhouse Lane, Leeds LS2 9JT, UK, Department of Materials Science and Engineering, The University of Sheffield, Sheffield S1 3JD, UK, Department of Civil and Environmental Engineering, Imperial College London, London, SW7 2BX, UK]","Prentice, Dale P. [Department of Materials Science and Engineering, The University of Sheffield, Sheffield S1 3JD, UK, Civil and Environmental Engineering Department, University of California, Los Angeles, CA 90095, USA]","Xiao, Xianghui [Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, IL 60439, USA, Brookhaven National Laboratory, 98 Rochester Road, Upton, NY 11973, USA]","Bernal, Susan A. [School of Civil Engineering, University of Leeds, Woodhouse Lane, Leeds LS2 9JT, UK] (ORCID:0000000296473106)","Provis, John L. [Department of Materials Science and Engineering, The University of Sheffield, Sheffield S1 3JD, UK, Paul Scherrer Institut, Forschungsstrasse 111, 5232 Villigen PSI, Switzerland] (ORCID:0000000333728922)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2046-2069","other_identifiers":["Journal ID: ISSN 2046-2069; RSCACL"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283595"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283595"}]}, {"osti_id":"2263281","title":"PyPartMC: A Pythonic interface to a particle-resolved, Monte Carlo aerosol simulation framework","doi":"10.1016/j.softx.2023.101613","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: SoftwareX Journal Volume: 25 Journal Issue: C","description":"PyPartMC is a Pythonic interface to PartMC, a stochastic, particle-resolved aerosol model implemented in Fortran. Both PyPartMC and PartMC are free, libre, and open-source. PyPartMC reduces the number of steps and mitigates the effort necessary to install and utilize the resources of PartMC. Without PyPartMC, setting up PartMC requires: working with UNIX shell, providing Fortran and C libraries, and performing standard Fortran and C source code configuration, compilation and linking. This can be challenging for those less experienced with computational research or those intending to use PartMC in environments where provision of UNIX tools is less straightforward (e.g., on Windows). PyPartMC offers a single-step installation/upgrade process of PartMC and all dependencies through the pip Python package manager on Linux, macOS, and Windows. This allows streamlined access to the unmodified and versioned Fortran internals of the PartMC codebase from both Python and other interoperable environments (e.g., Julia through PyCall). In particular, PyPartMC can be set up to handle the time-stepping loop for PartMC simulations making it possible to couple PartMC with other Python-interoperable packages, for either online diagnostics or additional simulation logic. Altogether, users of PyPartMC can setup, run, process and visualize output of PartMC simulations using a single general-purpose programming language.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2023-12-26T00:00:00Z","publisher":"Elsevier","journal_name":"SoftwareX","journal_issue":"C","journal_volume":"25","format":"Medium: X; Size: Article No. 101613","authors":["D’Aquino, Zachary (ORCID:0000000247128015)","Arabas, Sylwester","Curtis, Jeffrey H.","Vaishnav, Akshunna","Riemer, Nicole (ORCID:0000000232203457)","West, Matthew"],"subjects":["54 ENVIRONMENTAL SCIENCES","python-to-fortran interface","particle-resolved aerosol simulation","atmospheric modeling"],"article_type":"Published Article","doe_contract_number":"SC0021034; SC0022130; AGS 19041110; 2020/39/D/ST10/01220","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Science Foundation (NSF)"},{"name":"Polish National Science Centre (NCN)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Science Foundation (NSF)","Polish National Science Centre (NCN)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"],"journal_issn":"ISSN 2352-7110","other_identifiers":["Journal ID: ISSN 2352-7110; S2352711023003096; 101613; PII: S2352711023003096"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2263281"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2263281"}]}, {"osti_id":"2320243","title":"A formalism for extracting track functions from jet measurements","report_number":"JLAB-THY-23-3891; DOE/OR/23177-6759","doi":"10.1007/jhep01(2024)194","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of High Energy Physics (Online); Journal Volume: 2024; Journal Issue: 1","description":"The continued success of the jet substructure program will require widespread use of tracking information to enable increasingly precise measurements of a broader class of observables. The recent reformulation of jet substructure in terms of energy correlators has simplified the incorporation of universal non-perturbative matrix elements, so called “track functions”, in jet substructure calculations. These advances make it timely to understand how these universal non-perturbative functions can be extracted from hadron collider data, which is complicated by the use jet algorithms. In this paper we introduce a new class of jet functions, which we call (semi-inclusive) track jet functions, which describe measurements of the track energy fraction in identified jets. These track jet functions can be matched onto the universal track functions, with perturbatively calculable matching coefficients that incorporate the jet algorithm dependence. We perform this matching, and present phenomenological results for the charged energy fraction in jets at the LHC and EIC/HERA at collinear next-to-leading logarithmic accuracy. We show that higher moments of the charged energy fraction directly exhibit non-linear Lorentzian renormalization group flows, allowing the study of these flows with collider data. Our factorization theorem enables the extraction of universal track functions from jet measurements, opening the door to their use for a precision jet substructure program.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-03-15T00:00:00Z","publisher":"Springer Nature","journal_name":"Journal of High Energy Physics (Online)","journal_issue":"1","journal_volume":"2024","format":"Medium: ED; Size: Article No. 194","authors":["Lee, Kyle [Massachusetts Institute of Technology (MIT), Cambridge, MA (United States)] (ORCID:0000000218272958)","Moult, Ian [Yale University, New Haven, CT (United States)]","Ringer, Felix [Old Dominion University, Norfolk, VA (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)]","Waalewijn, Wouter J. [University of Amsterdam (Netherlands); Nikhef, Theory Group, Amsterdam (Netherlands)]"],"subjects":["factorization","renormalization group","jets and jet substructure","nonperturbative effects","properties of Hadrons"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-06OR23177; SC0011090; SC0024358","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"Dutch Ministry of Education, Culture and Science (OCW)"},{"name":"Yale University"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","Dutch Ministry of Education, Culture and Science (OCW)","Yale University"],"orgs_research":[{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"}],"research_orgs":["Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"],"journal_issn":"ISSN 1029-8479","other_identifiers":["Journal ID: ISSN 1029-8479"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2320243"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2320243"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2320243"}]}, {"osti_id":"2283466","title":"Broadband and Tunable Microwave Absorption Properties from Large Magnetic Loss in Ni–Zn Ferrite","doi":"10.1002/admt.202301857","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Advanced Materials Technologies","description":"<title>Abstract<\/title>\n <p>\n Highly effective electromagnetic (EM) wave absorber materials with strong reflection loss (RL) and a wide absorption bandwidth (EBW) in gigahertz (GHz) frequencies are crucial for advanced wireless applications and portable electronics. Traditional microwave absorbers lack magnetic loss and struggle with impedance matching, while ferrites are stable, exhibit excellent magnetic and dielectric losses, and offer better impedance matching. However, achieving the desired EBW in ferrites remains a challenge, necessitating further composition design. In this study, impedance matching is successfully enhanced and EBW in Ni–Zn ferrite is broadened by successive doping with Mn and Co , without incorporation of any polymer filler. It is found that Ni\n <sub>0.4<\/sub>\n Co\n <sub>0.1<\/sub>\n Zn\n <sub>0.5<\/sub>\n Fe\n <sub>1.9<\/sub>\n Mn\n <sub>0.1<\/sub>\n O\n <sub>4<\/sub>\n material exhibits exceptional EM wave absorption, with a maximum RL of −48.7 dB. It also featured a significant EBW of 10.8 GHz, maintaining a 90% absorption rate (RL < −10 dB) for a thickness of 4.5 mm. These outstanding properties result from substantial magnetic losses and favorable impedance matching. These findings represent a significant step forward in the development of microwave absorber materials, addressing EM wave pollution concerns within GHz frequencies, including the frequency band used in popular 5G technology.\n <\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Advanced Materials Technologies","format":"Medium: X","authors":["Ghosh, Subrata [Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA] (ORCID:0000000268322140)","Sharma, Shweta [Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA] (ORCID:0000000236986663)","Li, Wenjie [Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA]","Nozariasbmarz, Amin [Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA]","Raman, Lavanya [Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA]","Liu, Na [Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA]","Goyal, Gagan K. [Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA]","Zhang, Yu [Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA]","Perini, Steven E. [Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA]","Lanagan, Michael [Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA]","Priya, Shashank [Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA]","Poudel, Bed [Department of Materials Science and Engineering Pennsylvania State University University Park PA 16802 USA]"],"article_type":"Published Article","doe_contract_number":"DE‐SC0022597","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2365-709X","other_identifiers":["Journal ID: ISSN 2365-709X; 2301857"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283466"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283466"}]}, {"osti_id":"2274988","title":"Implementing vanadium peroxides as direct air carbon capture materials","doi":"10.1039/D3SC05381D","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Chemical Science Journal Volume: 15 Journal Issue: 5","description":"<p>\n Vanadium peroxide molecules undergo stoichiometric direct air capture of carbon dioxide, wherein reactivity towards carbon capture\n <italic>via<\/italic>\n both peroxide and adventitious superoxide ligands trends with the size of the alkali countercation.\n <\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Chemical Science","journal_issue":"5","journal_volume":"15","format":"Medium: X; Size: p. 1700-1713","authors":["Ribó, Eduard Garrido [Department of Chemistry, Oregon State University, Corvallis, OR 97331, USA]","Mao, Zhiwei [Department of Chemistry, Oregon State University, Corvallis, OR 97331, USA] (ORCID:000000019613377X)","Hirschi, Jacob S. [Department of Chemistry, Oregon State University, Corvallis, OR 97331, USA]","Linsday, Taylor [Department of Chemistry, Oregon State University, Corvallis, OR 97331, USA]","Bach, Karlie [Department of Chemistry, Oregon State University, Corvallis, OR 97331, USA]","Walter, Eric D. [Pacific Northwest National Laboratory, Environmental Molecular Sciences Laboratory, Richland, WA 99352, USA] (ORCID:0000000336445514)","Simons, Casey R. [CAMCOR, University of Oregon, Eugene, OR 97331, USA] (ORCID:0000000280246996)","Zuehlsdorff, Tim J. [Department of Chemistry, Oregon State University, Corvallis, OR 97331, USA]","Nyman, May [Department of Chemistry, Oregon State University, Corvallis, OR 97331, USA] (ORCID:0000000217870518)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-6520","other_identifiers":["Journal ID: ISSN 2041-6520; CSHCBM"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2274988"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2274988"}]}, {"osti_id":"2307829","title":"A model to separate conduction and radiation in high temperature laser flash measurements for semi-transparent materials","doi":"10.1016/j.ijheatmasstransfer.2024.125228","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: International Journal of Heat and Mass Transfer; Journal Volume: 223","description":"Laser flash analysis (LFA) is a widely used technique in the scientific and industrial communities for measuring the thermal diffusivity and conductivity of materials. However, traditional fitting methods based solely on heat conduction do not account for radiation heat transfer in transparent and semi-transparent materials, which becomes significant at high temperatures. In this study, we have developed a coupled radiation-conduction model that considers the optical properties of materials to accurately extract thermal diffusivity from LFA measurements. We conducted LFA measurements on fused silica glass samples of varying thicknesses and within the temperature range of 25 to 1000 °C and fitted the data with the model. Since the coupled model requires optical properties as input parameters, which are often unavailable for new materials, we have also proposed a modified transparent model. Compared to the coupled model, results from the modified transparent model generally overestimate thermal conductivity, but the errors are acceptable in silica glass with small thickness. Here, we also investigated the applicability of the modified transparent model with materials of different optical properties.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-23T00:00:00Z","publisher":"Elsevier","journal_name":"International Journal of Heat and Mass Transfer","journal_volume":"223","format":"Medium: ED; Size: Article No. 125228","authors":["Feng, Tianshi [University of California San Diego, La Jolla, CA (United States)]","Wang, Qingyang [University of California San Diego, La Jolla, CA (United States)]","Adapa, Sarath R. [University of California San Diego, La Jolla, CA (United States)]","Chen, Renkun [University of California San Diego, La Jolla, CA (United States)] (ORCID:0000000175264981)"],"subjects":["14 SOLAR ENERGY","high temperature","laser flash analysis","LFA","semi-transparent materials","radiation","conduction","high temperature, laser flash analysis, LFA, semi-transparent materials, radiation, conduction"],"article_type":"Accepted Manuscript","doe_contract_number":"EE0008379; EE0008529","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"],"orgs_research":[{"name":"University of California San Diego, La Jolla, CA (United States)"}],"research_orgs":["University of California San Diego, La Jolla, CA (United States)"],"journal_issn":"ISSN 0017-9310","other_identifiers":["Journal ID: ISSN 0017-9310"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2307829"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2307829"}]}, {"osti_id":"2297391","title":"The use of idealised experiments in testing a new convective parametrization: Performance of CoMorph-A","doi":"10.1002/qj.4660","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Quarterly Journal of the Royal Meteorological Society","description":"CoMorph is a new mass-flux convection parametrization under development at the Met Office designed for use within the Unified Model and its successor model, LFRic. Use of a three-dimensional idealised model enables controlled tests of the performance of the scheme across different regimes. This includes the interaction between the physical parametrizations and the resolved dynamics, allowing study of the emergent organisation of convection on the resolved scale. A selection of well-known cases is revisited here, with the purpose of documenting the extent to which CoMorph captures a range of important, but challenging, behaviour such as the diurnal cycle and sensitivity to tropospheric moisture. Simulations using CoMorph-A, a new physics package, that has been demonstrated to perform well at numerical weather prediction (NWP) and climate scales, are compared against the current global atmosphere configuration and high-resolution results. In addition to an entirely new convection scheme, the package of changes includes significant changes to the cloud, microphysics, and boundary-layer parametrizations. Recognising that CoMorph-A is the first version of a scheme that will continue to be substantially developed and to obtain good performance, compromises in tuning have had to be made. These idealised tests therefore show what works well in this configuration, and what areas will require further work. As such, it is quite a demanding testbed and could be viewed as some of the equipment required for a “convective playground”.","availability":"ORNL","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Royal Meteorological Society","journal_name":"Quarterly Journal of the Royal Meteorological Society","format":"Medium: ED","authors":["Lavender, Sally L. [Univ. of Southern Queensland, Toowoomba, QLD (Australia); Met Office, Exeter (United Kingdom)] (ORCID:0000000347851569)","Stirling, Alison J. [Met Office, Exeter (United Kingdom)] (ORCID:0000000225663316)","Whitall, Michael [Met Office, Exeter (United Kingdom)] (ORCID:0009000584650573)","Stratton, Rachel A. [Met Office, Exeter (United Kingdom)] (ORCID:0000000157956247)","Daleu, Chimene L. [Univ. of Reading (United Kingdom)] (ORCID:0000000320754902)","Plant, Robert S. [Univ. of Reading (United Kingdom)] (ORCID:0000000188080022)","Lock, Adrian [Met Office, Exeter (United Kingdom)] (ORCID:000000016289030X)","Gu, Jian‐Feng [Univ. of Reading (United Kingdom); Nanjing Univ. (China)] (ORCID:0000000277524553)"],"subjects":["54 ENVIRONMENTAL SCIENCES","climate models","cloud-resolving models","convection parametrization","diurnal cycle","idealised modelling"],"article_type":"Accepted Manuscript","contributing_org":"Pacific Northwest National Laboratory (PNNL); Brookhaven National Laboratory (BNL); Argonne National Laboratory (ANL)","doe_contract_number":"AC05-76RL01830; NE/N013743/1","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"Natural Environment Research Council (NERC)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","Natural Environment Research Council (NERC)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Atmospheric Radiation Measurement (ARM) Data Center"],"journal_issn":"ISSN 0035-9009","other_identifiers":["Journal ID: ISSN 0035-9009"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2297391"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2297391"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2297391"}]}, {"osti_id":"2301611","title":"Fertilizer management for global ammonia emission reduction","doi":"10.1038/s41586-024-07020-z","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nature (London); Journal Volume: 1; Journal Issue: 1","description":"Crop production is a large source of atmospheric ammonia (NH<sub>3<\/sub>), which poses risks to air quality, human health and ecosystems. However, estimating global NH<sub>3<\/sub> emissions from croplands is subject to uncertainties because of data limitations, thereby limiting the accurate identification of mitigation options and efficacy. In this report we develop a machine learning model for generating crop-specific and spatially explicit NH<sub>3<\/sub> emission factors globally (5-arcmin resolution) based on a compiled dataset of field observations. We show that global NH<sub>3<\/sub> emissions from rice, wheat and maize fields in 2018 were 4.3 ± 1.0 Tg N yr<sup>-1<\/sup>, lower than previous estimates that did not fully consider fertilizer management practices. Furthermore, spatially optimizing fertilizer management, as guided by the machine learning model, has the potential to reduce the NH3 emissions by about 38% (1.6 ± 0.4 Tg N yr<sup>-1<\/sup>) without altering total fertilizer nitrogen inputs. Specifically, we estimate potential NH3 emissions reductions of 47% (44–56%) for rice, 27% (24–28%) for maize and 26% (20–28%) for wheat cultivation, respectively. Under future climate change scenarios, we estimate that NH3 emissions could increase by 4.0 ± 2.7% under SSP1–2.6 and 5.5 ± 5.7% under SSP5–8.5 by 2030–2060. However, targeted fertilizer management has the potential to mitigate these increases.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature (London)","journal_issue":"1","journal_volume":"1","format":"Medium: ED; Size: 1-1","authors":["Xu, Peng [Southern University of Science and Technology, Shenzhen (China); Tianjin University (China)] (ORCID:0000000269641274)","Li, Geng [The Hong Kong University of Science and Technology, Hong Kong (China)] (ORCID:0000000258718395)","Zheng, Yi [Southern University of Science and Technology, Shenzhen (China)] (ORCID:000000018442182X)","Fung, Jimmy C. H. [The Hong Kong University of Science and Technology, Hong Kong (China)] (ORCID:0000000278598511)","Chen, Anping (ORCID:0000000320853863)","Zeng, Zhenzhong [Southern University of Science and Technology, Shenzhen (China)] (ORCID:0000000168512756)","Shen, Huizhong [Southern University of Science and Technology, Shenzhen (China)] (ORCID:0000000313358477)","Hu, Min [Peking University, Beijing (China)]","Mao, Jiafu [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000220507373)","Zheng, Yan [Southern University of Science and Technology, Shenzhen (China)]","Cui, Xiaoqing [Beijing Forestry University, Beijing (China)]","Guo, Zhilin [Southern University of Science and Technology, Shenzhen (China)]","Chen, Yilin [Southern University of Science and Technology, Shenzhen (China)]","Feng, Lian [Southern University of Science and Technology, Shenzhen (China)] (ORCID:0000000245903022)","He, Shaokun [Southern University of Science and Technology, Shenzhen (China)]","Zhang, Xuguo [The Hong Kong University of Science and Technology, Hong Kong (China)]","Lau, Alexis K. H. [The Hong Kong University of Science and Technology, Hong Kong (China)]","Tao, Shu [Southern University of Science and Technology, Shenzhen (China); Peking University, Beijing (China)] (ORCID:0000000273747063)","Houlton, Benjamin Z. [Cornell University, Ithaca, NY (United States)]"],"subjects":["54 ENVIRONMENTAL SCIENCES","agriculture","environmental health"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; 42325702; 42277086; 42321004; 2023A1515012280; 16302220","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"National Natural Science Foundation of China (NSFC)"},{"name":"Natural Science Foundation of Guangdong Province"},{"name":"Research Grants Council of the Hong Kong"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","National Natural Science Foundation of China (NSFC)","Natural Science Foundation of Guangdong Province","Research Grants Council of the Hong Kong"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0028-0836","other_identifiers":["Journal ID: ISSN 0028-0836"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301611"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301611"}]}, {"osti_id":"2283457","title":"Anisotropic multiband superconductivity in\n <math>\n <mrow>\n <mn>2<\/mn>\n <mi>M<\/mi>\n <mtext>−<\/mtext>\n <msub>\n <mtext>WS<\/mtext>\n <mn>2<\/mn>\n <\/msub>\n <\/mrow>\n <\/math>\n probed by controlled disorder","report_number":"IS-J-11,259","doi":"10.1103/PhysRevResearch.6.013124","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Research Journal Volume: 6 Journal Issue: 1","description":"The intrinsically superconducting Dirac semimetal 2M-WS<sub>2<\/sub> is a promising candidate for realizing proximityinduced topological superconductivity in its protected surface states. A precise characterization of the bulk superconducting state is essential to understand the nature of surface superconductivity in the system. Here, we report a detailed experimental study of the temperature-dependent London penetration depth, λ(T), the upper critical field, H<sub>c2<\/sub> (T), and the effects of nonmagnetic disorder on these quantities, as well as on the superconducting transition temperature T<sub>c<\/sub> in single crystals of 2M-WS<sub>2<\/sub>. We observe a power-law variation of λ(T) ∝ T<sup>3<\/sup> at temperatures below 0.35T<sub>c<\/sub>. Nonmagnetic pointlike disorder induced by 2.5 MeV electron irradiation at various doses results in a significant suppression of T<sub>c<\/sub>. These observations are markedly different from expectations for a fully gapped isotropic s<sup>-<\/sup> wave superconductor. Together with the substantial increase of slope, dH<sub>c2<\/sub>/dT |<sub>T =T<sub>c<\/sub><\/sub>, with increasing disorder, our results suggest a strongly anisotropic s<sup>++<\/sup> multiband superconducting state. These results have direct consequences for the expected proximity-induced superconductivity of the topological surface states.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review Research","journal_issue":"1","journal_volume":"6","format":"Medium: X","authors":["Ghimire, Sunil (ORCID:0000000310088635)","Joshi, Kamal R. (ORCID:0000000204942359)","Kończykowski, Marcin (ORCID:0000000333765635)","Grasset, Romain (ORCID:0000000347698947)","Datta, Amlan (ORCID:0000000181012457)","Tanatar, Makariy A. (ORCID:0000000321299833)","Bérubé, Damien (ORCID:0000000235243657)","Xu, Su-Yang","Fang, Yuqiang","Huang, Fuqiang","Orth, Peter P. (ORCID:0000000321838120)","Scheurer, Mathias S. (ORCID:0000000294395159)","Prozorov, Ruslan (ORCID:0000000280886096)"],"subjects":["75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY"],"article_type":"Published Article","doe_contract_number":"AC02-07CH11358; ANR-10-LABX-0039-PALM","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"LabEx PALM"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","LabEx PALM"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 2643-1564","other_identifiers":["Journal ID: ISSN 2643-1564; PPRHAI; 013124"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283457"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283457"}]}, {"osti_id":"2281255","title":"Unravelling photoisomerization dynamics in a metastable-state photoacid","doi":"10.1039/D3CP04454H","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 5","description":"Direct access to <em>trans–cis<\/em> photoisomerization in a metastable state photoacid (mPAH) remains challenging owing to the presence of competing excited-state relaxation pathways and multiple transient isomers with overlapping spectra. Here, we reveal the photoisomerization dynamics in an indazole mPAH using time-resolved fluorescence (TRF) spectroscopy by exploiting a unique property of this mPAH having fluorescence only from the <em>trans<\/em> isomer. The combination of these experimental results with time-dependent density function theory (TDDFT) calculations enables us to gain mechanistic insight into this key dynamical process.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-02T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"5","journal_volume":"26","format":"Medium: X; Size: p. 4062-4070","authors":["Ma, Ying-Zhong [Chemical Sciences Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831, USA] (ORCID:0000000281541006)","Premadasa, Uvinduni I. [Chemical Sciences Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831, USA] (ORCID:0000000302892965)","Bryantsev, Vyacheslav S. [Chemical Sciences Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831, USA] (ORCID:0000000265016594)","Miles, Audrey R. [Chemical Sciences Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831, USA, Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA] (ORCID:0000000235390446)","Ivanov, Ilia N. [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA] (ORCID:0000000267262502)","Elgattar, Adnan [Department of Biomedical and Chemical Engineering, Florida Institute of Technology, Melbourne, FL 32901, USA] (ORCID:0000000249192176)","Liao, Yi [Department of Biomedical and Chemical Engineering, Florida Institute of Technology, Melbourne, FL 32901, USA] (ORCID:0000000282178202)","Doughty, Benjamin [Chemical Sciences Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831, USA] (ORCID:0000000164299329)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"},{"name":"USDOE Office of Science (SC), Office of Workforce Development for Teachers & Scientists (WDTS)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)","USDOE Office of Science (SC), Office of Workforce Development for Teachers & Scientists (WDTS)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)"],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281255"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281255"}]}, {"osti_id":"2311926","title":"Phytohormones in a universe of regulatory metabolites: lessons from jasmonate","doi":"10.1093/plphys/kiae045","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Plant Physiology (Bethesda)","description":"<title>Abstract<\/title>\n <p>Small-molecule phytohormones exert control over plant growth, development, and stress responses by coordinating the patterns of gene expression within and between cells. Increasing evidence indicates that currently recognized plant hormones are part of a larger group of regulatory metabolites that have acquired signaling properties during the evolution of land plants. This rich assortment of chemical signals reflects the tremendous diversity of plant secondary metabolism, which offers evolutionary solutions to the daunting challenges of sessility and other unique aspects of plant biology. A major gap in our current understanding of plant regulatory metabolites is the lack of insight into the direct targets of these compounds. Here, we illustrate the blurred distinction between classical phytohormones and other bioactive metabolites by highlighting the major scientific advances that transformed the view of jasmonate from an interesting floral scent to a potent transcriptional regulator. Lessons from jasmonate research generally apply to other phytohormones and thus may help provide a broad understanding of regulatory metabolite–protein interactions. In providing a framework that links small-molecule diversity to transcriptional plasticity, we hope to stimulate future research to explore the evolution, functions, and mechanisms of perception of a broad range of plant regulatory metabolites.<\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Oxford University Press","journal_name":"Plant Physiology (Bethesda)","format":"Medium: X","authors":["Gasperini, Debora (ORCID:0000000243855354)","Howe, Gregg A. (ORCID:000000029218979X)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"FG02–91ER20021; MICL02278","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0032-0889","other_identifiers":["Journal ID: ISSN 0032-0889; kiae045"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311926"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311926"}]}, {"osti_id":"2283605","title":"Quenched lattice fluctuations in optically driven SrTiO3","doi":"10.1038/s41563-023-01791-y","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Materials Journal Volume: 23 Journal Issue: 3","description":"<title>Abstract<\/title>\n <p>\n Crystal lattice fluctuations, which are known to influence phase transitions of quantum materials in equilibrium, are also expected to determine the dynamics of light-induced phase changes. However, they have only rarely been explored in these dynamical settings. Here we study the time evolution of lattice fluctuations in the quantum paraelectric SrTiO\n <sub>3<\/sub>\n , in which mid-infrared drives have been shown to induce a metastable ferroelectric state. Crucial in these physics is the competition between polar instabilities and antiferrodistortive rotations, which in equilibrium frustrate the formation of long-range ferroelectricity. We make use of high-intensity mid-infrared optical pulses to resonantly drive the Ti–O-stretching mode at 17 THz, and we measure the resulting change in lattice fluctuations using time-resolved X-ray diffuse scattering at a free-electron laser. After a prompt increase, we observe a long-lived quench in R-point antiferrodistortive lattice fluctuations. Their enhancement and reduction are theoretically explained by considering the fourth-order nonlinear phononic interactions to the driven optical phonon and third-order coupling to lattice strain, respectively. These observations provide a number of testable hypotheses for the physics of light-induced ferroelectricity.\n <\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-03-07T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Materials","journal_issue":"3","journal_volume":"23","format":"Medium: X; Size: p. 363-368","authors":["Fechner, M. (ORCID:0000000327747684)","Först, M. (ORCID:0000000280574826)","Orenstein, G. (ORCID:0000000205060446)","Krapivin, V.","Disa, A. S. (ORCID:0000000277623244)","Buzzi, M. (ORCID:0000000173254632)","von Hoegen, A. (ORCID:0000000259756350)","de la Pena, G.","Nguyen, Q. L. (ORCID:0000000258978576)","Mankowsky, R. (ORCID:0000000167840344)","Sander, M. (ORCID:0000000190459824)","Lemke, H. (ORCID:0000000315778643)","Deng, Y.","Trigo, M. (ORCID:000000034655188X)","Cavalleri, A. (ORCID:0000000231430850)"],"article_type":"Published Article","doe_contract_number":"AC02-76SF00515","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1476-1122","other_identifiers":["Journal ID: ISSN 1476-1122; PII: 1791"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283605"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283605"}]}, {"osti_id":"2283473","title":"In Situ Monitoring of Non-Thermal Plasma Cleaning of Surfactant Encapsulated Nanoparticles","doi":"10.3390/nano14030290","product_type":"Journal Article","language":"English","country_publication":"Switzerland","relation":"Journal Name: Nanomaterials Journal Volume: 14 Journal Issue: 3","description":"<p>Surfactants are widely used in the synthesis of nanoparticles, as they have a remarkable ability to direct their growth to obtain well-defined shapes and sizes. However, their post-synthesis removal is a challenge, and the methods used often result in morphological changes that defeat the purpose of the initial controlled growth. Moreover, after the removal of surfactants, the highly active surfaces of nanomaterials may undergo structural reconstruction by exposure to a different environment. Thus, ex situ characterization after air exposure may not reflect the effect of the cleaning methods. Here, combining X-ray photoelectron spectroscopy, in situ infrared reflection absorption spectroscopy, and environmental transmission electron microscopy measurements with CO probe experiments, we investigated different surfactant-removal methods to produce clean metallic Pt nanoparticles from surfactant-encapsulated ones. It was demonstrated that both ultraviolet-ozone (UV-ozone) treatment and room temperature O2 plasma treatment led to the formation of Pt oxides on the surface after the removal of the surfactant. On the other hand, when H2 was used for plasma treatment, both the Pt0 oxidation state and nanoparticle size distribution were preserved. In addition, H2 plasma treatment can reduce Pt oxides after O2-based treatments, resulting in metallic nanoparticles with clean surfaces. These findings provide a better understanding of the various options for surfactant removal from metal nanoparticles and point toward non-thermal plasmas as the best route if the integrity of the nanoparticle needs to be preserved.<\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"MDPI AG","journal_name":"Nanomaterials","journal_issue":"3","journal_volume":"14","format":"Medium: X; Size: Article No. 290","authors":["Li, Gengnan","Zakharov, Dmitri N.","Sikder, Sayantani","Xu, Yixin","Tong, Xiao","Dimitrakellis, Panagiotis (ORCID:0000000226018749)","Boscoboinik, Jorge Anibal (ORCID:0000000250907079)"],"article_type":"Published Article","doe_contract_number":"SC0022199; SC0012704","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2079-4991","other_identifiers":["Journal ID: ISSN 2079-4991; NANOKO; PII: nano14030290"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283473"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283473"}]}, {"osti_id":"2287685","title":"Ammonia-oxidizing bacteria and archaea exhibit differential nitrogen source preferences","doi":"10.1038/s41564-023-01593-7","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nature Microbiology; Journal Volume: 9; Journal Issue: 2","description":"Ammonia-oxidizing microorganisms (AOM) contribute to one of the largest nitrogen fluxes in the global nitrogen budget. Four distinct lineages of AOM: ammonia-oxidizing archaea (AOA), beta- and gamma-proteobacterial ammonia-oxidizing bacteria (β-AOB and γ-AOB) and complete ammonia oxidizers (comammox), are thought to compete for ammonia as their primary nitrogen substrate. In addition, many AOM species can utilize urea as an alternative energy and nitrogen source through hydrolysis to ammonia. How the coordination of ammonia and urea metabolism in AOM influences their ecology remains poorly understood. Here we use stable isotope tracing, kinetics and transcriptomics experiments to show that representatives of the AOM lineages employ distinct regulatory strategies for ammonia or urea utilization, thereby minimizing direct substrate competition. The tested AOA and comammox species preferentially used ammonia over urea, while β-AOB favoured urea utilization, repressed ammonia transport in the presence of urea and showed higher affinity for urea than for ammonia. Characterized γ-AOB co-utilized both substrates. Furthermore, these results reveal contrasting niche adaptation and coexistence patterns among the major AOM lineages.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Microbiology","journal_issue":"2","journal_volume":"9","format":"Medium: ED; Size: p. 524-536","authors":["Qin, Wei [University of Oklahoma, Norman, OK (United States); University of Washington, Seattle, WA (United States)] (ORCID:0000000308950126)","Wei, Stephany P. [University of Washington, Seattle, WA (United States)]","Zheng, Yue [Xiamen University, Fujian (China)]","Choi, Eunkyung [University of Florida, Davie, FL (United States)] (ORCID:000000022266310X)","Li, Xiangpeng [University of Oklahoma, Norman, OK (United States)]","Johnston, Juliet [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Wan, Xianhui [Princeton University, NJ (United States)] (ORCID:0000000248707369)","Abrahamson, Britt [University of Washington, Seattle, WA (United States)] (ORCID:0000000283205102)","Flinkstrom, Zachary [University of Washington, Seattle, WA (United States)] (ORCID:0000000205966416)","Wang, Baozhan [Nanjing Agricultural University, Jiangsu (China)] (ORCID:0000000256735730)","Li, Hanyan [University of Oklahoma, Norman, OK (United States)]","Hou, Lei [University of Oklahoma, Norman, OK (United States); Xiamen University, Fujian (China)]","Tao, Qing [University of Oklahoma, Norman, OK (United States)]","Chlouber, Wyatt W. [University of Oklahoma, Norman, OK (United States)]","Sun, Xin [Yale University, New Haven, CT (United States)] (ORCID:0000000302804283)","Wells, Michael [University of Oklahoma, Norman, OK (United States)] (ORCID:0000000306133843)","Ngo, Long [University of Oklahoma, Norman, OK (United States)]","Hunt, Kristopher A. [University of Washington, Seattle, WA (United States)] (ORCID:0000000300244913)","Urakawa, Hidetoshi [Florida Gulf Coast University, Fort Myers, FL (United States)] (ORCID:0000000337486027)","Tao, Xuanyu [University of Oklahoma, Norman, OK (United States)]","Wang, Dongyu [University of Oklahoma, Norman, OK (United States)]","Yan, Xiaoyuan [Chinese Academy of Sciences, Nanjing (China)] (ORCID:0000000186454836)","Wang, Dazhi [Xiamen University, Fujian (China)]","Pan, Chongle [University of Oklahoma, Norman, OK (United States)]","Weber, Peter K. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000160226050)","Jiang, Jiandong [Nanjing Agricultural University, Jiangsu (China)] (ORCID:0000000348775756)","Zhou, Jizhong [University of Oklahoma, Norman, OK (United States)] (ORCID:0000000320140564)","Zhang, Yao [Xiamen University, Fujian (China)] (ORCID:0000000312114745)","Stahl, David A. [University of Washington, Seattle, WA (United States)]","Ward, Bess B. [Princeton University, NJ (United States)] (ORCID:0000000178702684)","Mayali, Xavier [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000221700773)","Martens-Habbena, Willm [University of Florida, Davie, FL (United States)] (ORCID:0000000284959125)","Winkler, Mari-Karoliina H. [University of Washington, Seattle, WA (United States)] (ORCID:0000000283663293)"],"subjects":["59 BASIC BIOLOGICAL SCIENCES","54 ENVIRONMENTAL SCIENCES","Ammonia-oxidizing microorganisms","ammonia-oxidizing archaea","ammonia-oxidizing bacteria","complete ammonia-oxidizing bacteria","urea","NanoSIMS","stable isotope tracing","transcriptomics"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0020356; HR0011-17-2-0064; DEB-1664052","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"Defense Advanced Research Projects Agency"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","Defense Advanced Research Projects Agency","National Science Foundation (NSF)"],"orgs_research":[{"name":"Univ. of Washington, Seattle, WA (United States)"},{"name":"Univ. of Oklahoma, Norman, OK (United States)"},{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"}],"research_orgs":["Univ. of Washington, Seattle, WA (United States)","Univ. of Oklahoma, Norman, OK (United States)","Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"],"journal_issn":"ISSN 2058-5276","other_identifiers":["Journal ID: ISSN 2058-5276"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2287685"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2287685"}]}, {"osti_id":"2283467","title":"Discovery and Characterization of Fluopipamine, a Putative Cellulose Synthase 1 Antagonist within\n <i>Arabidopsis<\/i>","doi":"10.1021/acs.jafc.3c05199","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Agricultural and Food Chemistry Journal Volume: 72 Journal Issue: 6","description":"Herbicide-resistant weeds are increasingly a problem in crop fields when exposed to similar chemistry over time. To avoid future yield losses, identifying herbicidal chemistry needs to be accelerated. We screened 50,000 small molecules using a liquidhandling robot and light microscopy focusing on pre-emergent herbicides in the family of cellulose biosynthesis inhibitors. Through phenotypic, chemical, genetic, and in silico methods we uncovered 6-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-N-(2-methoxy-5- methylphenyl)-1,3,5-triazine-2,4-diamine (fluopipamine). Symptomologies support fluopipamine as a putative antagonist of cellulose synthase enzyme 1 (CESA1) from Arabidopsis (Arabidopsis thaliana). Ectopic lignification, inhibition of etiolation, phenotypes including loss of anisotropic cellular expansion, swollen roots, and live cell imaging link fluopipamine to cellulose biosynthesis inhibition. Radiolabeled glucose incorporation of cellulose decreased in short-duration experiments when seedlings were incubated in fluopipamine. To elucidate the mechanism, ethylmethanesulfonate mutagenized M2 seedlings were screened for fluopipamine resistance. Two loci of genetic resistance were linked to CESA1. In silico docking of fluopipamine, quinoxyphen, and flupoxam against various CESA1 mutations suggests that an alternative binding site at the interface between CESA proteins is necessary to preserve cellulose polymerization in compound presence. These data uncovered potential fundamental mechanisms of cellulose biosynthesis in plants along with feasible leads for herbicidal uses.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Agricultural and Food Chemistry","journal_issue":"6","journal_volume":"72","format":"Medium: X; Size: p. 3171-3179","authors":["Amos, B. Kirtley [Electrical and Computer Engineering, North Carolina State University, Raleigh, North Carolina 27606, United States, N.C. Plant Sciences Initiative, North Carolina State University, Raleigh, North Carolina 27606, United States, Department of Horticulture, University of Kentucky, Lexington, Kentucky 40546, United States] (ORCID:0000000321522927)","Pook, Victoria [Department of Horticulture, University of Kentucky, Lexington, Kentucky 40546, United States]","Prates, Erica [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States, Center for Bioenergy Innovation, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States]","Stork, Jozsef [Department of Horticulture, University of Kentucky, Lexington, Kentucky 40546, United States]","Shah, Manesh [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States, Center for Bioenergy Innovation, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States]","Jacobson, Daniel A. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States, Center for Bioenergy Innovation, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States]","DeBolt, Seth [Department of Horticulture, University of Kentucky, Lexington, Kentucky 40546, United States]"],"subjects":["59 BASIC BIOLOGICAL SCIENCES","cellulose synthase","CESA","inhibitor","chemical genomics","plant cell wall","herbicides","cellulose","genetics","peptides and proteins","plants","screening assays"],"article_type":"Published Article","doe_contract_number":"SC0014664; AC05-00OR22725; 1826715; 1849213","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"USDOE Office of Science (SC), Office of Workforce Development for Teachers & Scientists (WDTS)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Biological and Environmental Research (BER)","USDOE Office of Science (SC), Office of Workforce Development for Teachers & Scientists (WDTS)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Univ. of Kentucky, Lexington, KY (United States)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"},{"name":"Oak Ridge Institute for Science and Education (ORISE), Oak Ridge, TN (United States)"}],"research_orgs":["Univ. of Kentucky, Lexington, KY (United States)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)","Oak Ridge Institute for Science and Education (ORISE), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0021-8561","other_identifiers":["Journal ID: ISSN 0021-8561"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283467"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283467"}]}, {"osti_id":"2305421","title":"Foldy: An open-source web application for interactive protein structure analysis","doi":"10.1371/journal.pcbi.1011171","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: PLoS Computational Biology (Online) Journal Volume: 20 Journal Issue: 2","description":"<p>Foldy is a cloud-based application that allows non-computational biologists to easily utilize advanced AI-based structural biology tools, including AlphaFold and DiffDock. With many deployment options, it can be employed by individuals, labs, universities, and companies in the cloud without requiring hardware resources, but it can also be configured to utilize locally available computers. Foldy enables scientists to predict the structure of proteins and complexes up to 6000 amino acids with AlphaFold, visualize Pfam annotations, and dock ligands with AutoDock Vina and DiffDock.<\/p>\n <p>In our manuscript, we detail Foldy’s interface design, deployment strategies, and optimization for various user scenarios. We demonstrate its application through case studies including rational enzyme design and analyzing proteins with domains of unknown function. Furthermore, we compare Foldy’s interface and management capabilities with other open and closed source tools in the field, illustrating its practicality in managing complex data and computation tasks. Our manuscript underlines the benefits of Foldy as a day-to-day tool for life science researchers, and shows how Foldy can make modern tools more accessible and efficient.<\/p>","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Public Library of Science (PLoS)","journal_name":"PLoS Computational Biology (Online)","journal_issue":"2","journal_volume":"20","format":"Medium: X; Size: Article No. e1011171","authors":["Roberts, Jacob B. (ORCID:0000000175641708)","Nava, Alberto A. (ORCID:0000000201724145)","Pearson, Allison N. (ORCID:0000000253834944)","Incha, Matthew R.","Valencia, Luis E.","Ma, Melody","Rao, Abhay","Keasling, Jay D. (ORCID:0000000214908074)","Ouzounis, ed., Christos A."],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1553-7358","other_identifiers":["Journal ID: ISSN 1553-7358; 10.1371/journal.pcbi.1011171"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305421"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305421"}]}, {"osti_id":"2315613","title":"scMicrobe PTA: Near Complete Genomes From Single Bacterial Cells","doi":"10.1101/2024.01.30.577819","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Volume: 5; Journal Issue: 02-13","description":"<jats:p>Microbial genomes produced by single-cell amplification are largely incomplete. Here, we show that primary template amplification (PTA), a novel single-cell amplification technique, generated nearly-complete genomes from three bacterial isolate species. Furthermore, taxonomically diverse genomes recovered from aquatic and soil microbiomes using PTA had a median completeness of 81%, whereas genomes from standard amplification approaches were usually <30% complete. PTA-derived genomes also included more associated viruses and biosynthetic gene clusters.<\/jats:p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-03-01T00:00:00Z","journal_issue":"02-13","journal_volume":"5","format":"Medium: ED","authors":["Bowers, Robert M.","Gonzalez-Pena, Veronica","Wardhani, Kartika","Goudeau, Danielle","Blow, Matthew James","Udwary, Daniel","Klein, David","Vill, Albert C.","Brito, Ilana L.","Woyke, Tanja","Malmstrom, Rex (ORCID:0000000247587369)","Gawad, Charles (ORCID:0000000247288203)"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-05CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"other_identifiers":["ark:/13030/qt6k98x6kf"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2315613"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2315613"}]}, {"osti_id":"2301824","title":"Impedance sources (Z sources) with inherent fault protection for resilient and fire-free electricity grids","doi":"10.1038/s41598-024-53452-y","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Scientific Reports; Journal Volume: 14; Journal Issue: 1","description":"Modern societies would not survive without electricity and at the same time electrical faults could cause and have caused many catastrophes—mainly deadly fires—to our societies. There are two types of electricity sources: the voltage source such as generators, charged batteries and capacitors, and the current source such as charged inductors, current-regulated rectifiers, and superconducting magnetic energy storage. An “ideal” voltage source—that is often-sought-or-intentionally engineered—generates a constant voltage irrespective of its load current, and an “ideal” current source injects a constant current irrespective of its load voltage. However, two problems exist: (1) voltage or current sources do not represent many emerging natural/renewable energy sources such as wind turbine generators, photovoltaic cells, and fuel cells, whose output voltage and current are strongly dependent on each other, and (2) a short-circuit fault to an artificially-made and controlled “ideal” voltage source or an open-circuit fault to an “ideal” current source can cause catastrophic failures of the source itself and its surrounding circuits due to large (theoretically infinite) short-circuit current or open-circuit voltage. Here we introduce an impedance source concept to represent, characterize, and model those electricity sources whose output voltage and current are strongly dependent on each other. First, we found that many electric sources with no feedback (or active) control of their output voltage and/or current are a natural impedance source with inherent fault protection at short-circuit or open-circuit faults. Second, any electrical source can be artificially controlled to mimic a natural impedance source. Finally, we show how to apply natural impedance sources and nature-mimicking artificially-controlled sources to the electricity grid—the most complex machine ever made by human beings—to realize electricity grids that are naturally stable, self-protected against electrical faults, and resilient to natural and human-made events.","publication_date":"2024-02-06T00:00:00Z","entry_date":"2024-02-16T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Scientific Reports","journal_issue":"1","journal_volume":"14","format":"Medium: ED; Size: Article No. 3062","authors":["Peng, Fang Zheng [Florida State Univ., Tallahassee, FL (United States)] (ORCID:000000030827333X)"],"subjects":["24 POWER TRANSMISSION AND DISTRIBUTION","energy science and technology","engineering"],"article_type":"Accepted Manuscript","doe_contract_number":"EE0009340; EE0010427","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office"],"orgs_research":[{"name":"Florida State Univ., Tallahassee, FL (United States)"}],"research_orgs":["Florida State Univ., Tallahassee, FL (United States)"],"journal_issn":"ISSN 2045-2322","other_identifiers":["Journal ID: ISSN 2045-2322; EE0010427"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301824"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2301824"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301824"}]}, {"osti_id":"2281631","title":"Interface engineering of lithium metal anodes\n <i>via<\/i>\n atomic and molecular layer deposition","doi":"10.1039/D3QI02241B","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Inorganic Chemistry Frontiers (Online) Journal Volume: 11 Journal Issue: 3","description":"<p>Atomic and molecular layer deposition (ALD and MLD) are two promising tools for practicing interface engineering of lithium metal anodes precisely.<\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Inorganic Chemistry Frontiers (Online)","journal_issue":"3","journal_volume":"11","format":"Medium: X; Size: p. 659-681","authors":["Meng, Xiangbo [Department of Mechanical Engineering, University of Arkansas, Fayetteville, AR 72701, USA] (ORCID:0000000246317260)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2052-1553","other_identifiers":["Journal ID: ISSN 2052-1553; ICFNAW"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281631"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281631"}]}, {"osti_id":"2301618","title":"Erosion resistance test of SiC mirror sample for ITER divertor VUV spectrometer","doi":"10.1016/j.fusengdes.2024.114210","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Fusion Engineering and Design; Journal Volume: 200; Journal Issue: N/A","description":"A series of tests have been performed to validate the resistance of the Silicon Carbide (SiC) mirror as the first mirror material of ITER VUV spectrometers to all ITER environmental conditions. Here we focused on the erosion (and deposition) of the SiC mirror sample caused by high-energy neutral particles. The flux of neutral particles reaching the first mirror was calculated using the ZEMAX software with a simplified entrance duct model. In the calculation, the particle flux reaching the first wall is necessary and the previously reported values derived from the SOLPS calculations were used. Based on this estimated particle flux, the erosion resistance tests were performed to check the erosion effect due to the high-energy neutral particles on the first mirror of ITER divertor VUV spectrometer. In the experiment, erosion was induced by exposing the SiC mirror sample to hydrogen and deuterium plasmas (and ions). The target fluence of incident ions in experiment is based on the estimation of the flux of neutral particles in ITER. The surface shape, composition, erosion depth, and surface roughness were measured to check the damage of the mirror surface after erosion test. Based on simulations and erosion resistance tests, it was concluded that the SiC mirror can be used as the first mirror of ITER divertor VUV spectrometer.","publication_date":"2024-02-02T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Elsevier","journal_name":"Fusion Engineering and Design","journal_issue":"N/A","journal_volume":"200","format":"Medium: ED; Size: 114210-","authors":["Kim, Boseong [Korea Institute of Fusion Energy, Daejeon (Korea, Republic of)] (ORCID:0000000294217141)","Chai, Kil-Byoung [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)] (ORCID:0000000296339150)","Park, Jae-Sun [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000308717527)","Seon, Changrae [Korea Institute of Fusion Energy, Daejeon (Korea, Republic of)] (ORCID:0000000326622388)","An, YoungHwa [Korea Institute of Fusion Energy, Daejeon (Korea, Republic of)]","Kim, Yoo Kwan [Ajou University, Suwon (Korea, Republic of)] (ORCID:0000000185468742)","Cheon, MunSeong [Korea Institute of Fusion Energy, Daejeon (Korea, Republic of)]","Bonnin, Xavier [ITER Organization, St-Paul-lez Durance (France)] (ORCID:0000000267431062)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","ITER","VUV","first mirror","optical diagnostics","silicon carbide"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; RS-2022-00154842; RS-2022-00155950","orgs_sponsor":[{"name":"USDOE Office of Science (SC)"},{"name":"Ministry of Science and ICT of Korea"},{"name":"Nation Research Foundation of Korea"}],"sponsor_orgs":["USDOE Office of Science (SC)","Ministry of Science and ICT of Korea","Nation Research Foundation of Korea"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0920-3796","other_identifiers":["Journal ID: ISSN 0920-3796"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301618"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301618"}]}, {"osti_id":"2311544","title":"Dry etching of epitaxial InGaAs/InAlAs/InAlGaAs structures for fabrication of photonic integrated circuits","report_number":"SAND-2024-01662J","doi":"10.1364/ome.506739","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optical Materials Express; Journal Volume: 14; Journal Issue: 2","description":"A dry etching process to transfer the pattern of a photonic integrated circuit design for high-speed laser communications is described. The laser stack under consideration is a 3.2-µm-thick InGaAs/InAlAs/InAlGaAs epitaxial structure grown by molecular beam epitaxy. The etching was performed using Cl2-based inductively-coupled-plasma and reactive-ion-etching (ICP-RIE) reactors. Four different recipes are presented in two similar ICP-RIE reactors, with special attention paid to the etched features formed with various hard mask compositions, in-situ passivations, and process temperatures. The results indicate that it is possible to produce high-aspect-ratio features with sub-micron separation on this multilayer structure. Additionally, the results of the etching highlight the tradeoffs involved with the corresponding recipes.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-03-18T00:00:00Z","publisher":"Optical Society of America (OSA)","journal_name":"Optical Materials Express","journal_issue":"2","journal_volume":"14","format":"Medium: ED; Size: p. 328-339","authors":["Nazib, Sami A. [University of New Mexico, Albuquerque, NM (United States)]","Hutchins-Delgado, Troy Alexander [University of New Mexico, Albuquerque, NM (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for Integrated Nanotechnologies]","Sharma, Aadit [University of New Mexico, Albuquerque, NM (United States)]","Lee, Hosuk [University of New Mexico, Albuquerque, NM (United States)]","Jamil, Erum [University of New Mexico, Albuquerque, NM (United States)]","Withers, Nathan J. [University of New Mexico, Albuquerque, NM (United States); University of Hawai’i Maui College, Kahului, Hawai’i (United States)]","Rotter, Thomas J. [University of New Mexico, Albuquerque, NM (United States)]","Addamane, Sadhvikas J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for Integrated Nanotechnologies]","Nogan, John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for Integrated Nanotechnologies]","James, Anthony Randolph [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for Integrated Nanotechnologies]","Ross, Willard [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for Integrated Nanotechnologies]","Pete, Douglas V. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for Integrated Nanotechnologies]","Smolyakov, Gennady A. [University of New Mexico, Albuquerque, NM (United States)]","Balakrishnan, Ganesh [University of New Mexico, Albuquerque, NM (United States)]","Osiński, Marek [University of New Mexico, Albuquerque, NM (United States)] (ORCID:000000023989991X)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525; N00014-17-1-2416; N00014-21-1-2683","orgs_sponsor":[{"name":"-"},{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"US Department of the Navy, Office of Naval Research (ONR)"},{"name":"USDOE Office of Science (SC)"}],"sponsor_orgs":["-","USDOE National Nuclear Security Administration (NNSA)","US Department of the Navy, Office of Naval Research (ONR)","USDOE Office of Science (SC)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 2159-3930","other_identifiers":["Journal ID: ISSN 2159-3930"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311544"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2311544"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311544"}]}, {"osti_id":"2283483","title":"Transport of metformin metabolites by guanidinium exporters of the small multidrug resistance family","doi":"10.1085/jgp.202313464","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of General Physiology Journal Volume: 156 Journal Issue: 3","description":"<p>Proteins from the small multidrug resistance (SMR) family are frequently associated with horizontally transferred multidrug resistance gene arrays found in bacteria from wastewater and the human-adjacent biosphere. Recent studies suggest that a subset of SMR transporters might participate in the metabolism of the common pharmaceutical metformin by bacterial consortia. Here, we show that both genomic and plasmid-associated transporters of the SMRGdx functional subtype export byproducts of microbial metformin metabolism, with particularly high export efficiency for guanylurea. We use solid-supported membrane electrophysiology to evaluate the transport kinetics for guanylurea and native substrate guanidinium by four representative SMRGdx homologs. Using an internal reference to normalize independent electrophysiology experiments, we show that transport rates are comparable for genomic and plasmid-associated SMRGdx homologs, and using a proteoliposome-based transport assay, we show that 2 proton:1 substrate transport stoichiometry is maintained. Additional characterization of guanidinium and guanylurea export properties focuses on the structurally characterized homolog, Gdx-Clo, for which we examined the pH dependence and thermodynamics of substrate binding and solved an x-ray crystal structure with guanylurea bound. Together, these experiments contribute in two main ways. By providing the first detailed kinetic examination of the structurally characterized SMRGdx homolog Gdx-Clo, they provide a functional framework that will inform future mechanistic studies of this model transport protein. Second, this study casts light on a potential role for SMRGdx transporters in microbial handling of metformin and its microbial metabolic byproducts, providing insight into how native transport physiologies are co-opted to contend with new selective pressures.<\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"Rockefeller University Press","journal_name":"Journal of General Physiology","journal_issue":"3","journal_volume":"156","format":"Medium: X","authors":["Lucero, Rachael M. (ORCID:0009000479334683)","Demirer, Kemal (ORCID:0009000045766526)","Yeh, Trevor Justin (ORCID:000000033749641X)","Stockbridge, Randy B. (ORCID:0000000188483032)"],"article_type":"Published Article","doe_contract_number":"AC02-06CH11357","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0022-1295","other_identifiers":["Journal ID: ISSN 0022-1295; e202313464"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283483"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283483"}]}, {"osti_id":"2311294","title":"Memory Effect on the Synthesis of Perovskite-Type Li-Ion Conductor Li<sub><em>x<\/em><\/sub>La<sub>2/3–<em>x<\/em>/3<\/sub>TiO<sub>3<\/sub> (LLTO)","doi":"10.1021/acs.chemmater.3c01928","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Chemistry of Materials; Journal Volume: 36; Journal Issue: 3","description":"The structural chemistry of the solid ion-conducting Li<sub>x<\/sub>La<sub>2/3–x/3<\/sub>TiO<sub>3<\/sub> (LLTO) is rich with various polymorphs related to atomic segregation. Here, we explored the LLTO reaction pathway from various structurally related precursors (La<sub>2<\/sub>LiO<sub>3<\/sub>H, Li<sub>2<\/sub>TiO<sub>3<\/sub>, and Li<sub>4<\/sub>Ti<sub>5<\/sub>O<sub>12<\/sub>), focusing on the effects of LLTO-like structural motifs in precursors using a combination of experimental and computational techniques. Density functional theory (DFT) calculations revealed that the failure of syntheses to produce LLTO below 1300 °C is due to the presence of multiple competing low-energy phases that result in competitive byproduct formation. In all syntheses where T = 1300 °C, LLTO was the sole product; however, varying phase fractions of I4/mcm and P4/nbm polymorphs and double-perovskite P4/mmm can be obtained depending on the synthesis route. This is an unusual result as at 1300 °C, LLTO should only be the ideal cubic Pm-3m perovskite structure, yet there appears to be a memory effect from the different precursors resulting in the unique phase selectivity and stabilization.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"Chemistry of Materials","journal_issue":"3","journal_volume":"36","format":"Medium: ED; Size: p. 1197-1213","authors":["Chambers, Matthew S. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000278939603)","Chen, Jiadong [Univ. of Michigan, Ann Arbor, MI (United States)]","Sacci, Robert L. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000200735221)","McAuliffe, Rebecca D. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000264974360)","Sun, Wenhao [Univ. of Michigan, Ann Arbor, MI (United States)] (ORCID:000000028416455X)","Veith, Gabriel M. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000251864461)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; SC0019212; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0897-4756","other_identifiers":["Journal ID: ISSN 0897-4756"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311294"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311294"}]}, {"osti_id":"2283461","title":"Theory of Defect-Induced Crystal Field Perturbations in Rare-Earth Magnets","doi":"10.1103/PhysRevLett.132.056703","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters Journal Volume: 132 Journal Issue: 5","description":"We present a theory describing the single-ion anisotropy of rare-earth (RE) magnets in the presence of point defects. Taking the RE-lean 1:12 magnet class as a prototype, we use first-principles calculations to show how the introduction of Ti substitutions into SmFe<sub>12<\/sub> perturbs the crystal field, generating new coefficients due to the lower symmetry of the RE environment. We then demonstrate that these perturbations can be described extremely efficiently using a screened point charge model. We provide analytical expressions for the anisotropy energy that can be straightforwardly implemented in atomistic spin dynamics simulations, meaning that such simulations can be carried out for an arbitrary arrangement of point defects. The significant crystal field perturbations calculated here demonstrate that a sample that is single phase from a structural point of view can nonetheless have a dramatically varying anisotropy profile at the atomistic level if there is compositional disorder, which may influence localized magnetic objects like domain walls or skyrmions.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review Letters","journal_issue":"5","journal_volume":"132","format":"Medium: X","authors":["Patrick, Christopher E. (ORCID:0000000218431269)","Huang, Yixuan (ORCID:0009000183419485)","Lewis, Laura H. (ORCID:0000000265523481)","Staunton, Julie B. (ORCID:0000000235788753)"],"subjects":["36 MATERIALS SCIENCE","75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY","25 ENERGY STORAGE"],"article_type":"Published Article","doe_contract_number":"DE SC0022168; SC0022168; RGS\\R1\\201151","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"Royal Society Research"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","Royal Society Research"],"orgs_research":[{"name":"Northeastern Univ., Boston, MA (United States)"}],"research_orgs":["Northeastern Univ., Boston, MA (United States)"],"journal_issn":"ISSN 0031-9007","other_identifiers":["Journal ID: ISSN 0031-9007; PRLTAO; 056703"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283461"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283461"}]}, {"osti_id":"2274995","title":"What is the nature of the uranium(\n <scp>iii<\/scp>\n )–arene bond?","doi":"10.1039/D3SC04715F","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Chemical Science Journal Volume: 15 Journal Issue: 5","description":"<p>\n Complexes of the form [U(η\n <sup>6<\/sup>\n -arene)(BH\n <sub>4<\/sub>\n )\n <sub>3<\/sub>\n ] where arene = C\n <sub>6<\/sub>\n H\n <sub>6<\/sub>\n ; C\n <sub>6<\/sub>\n H\n <sub>5<\/sub>\n Me; C\n <sub>6<\/sub>\n H\n <sub>3<\/sub>\n -1,3,5-R\n <sub>3<\/sub>\n (R = Et,\n <italic>i<\/italic>\n Pr,\n <italic>t<\/italic>\n Bu, Ph); C\n <sub>6<\/sub>\n Me\n <sub>6<\/sub>\n ; and triphenylene (C\n <sub>6<\/sub>\n H\n <sub>4<\/sub>\n )\n <sub>3<\/sub>\n were investigated towards an understanding of the nature of the uranium–arene interaction.\n <\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Chemical Science","journal_issue":"5","journal_volume":"15","format":"Medium: X; Size: p. 1810-1819","authors":["Chowdhury, Sabyasachi Roy [University of South Dakota, 414 E Clark St., Vermillion, SD, 57069, USA] (ORCID:0000000190008476)","Goodwin, Conrad A. P. [Centre for Radiochemistry Research, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK, Department of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK] (ORCID:0000000243202548)","Vlaisavljevich, Bess [University of South Dakota, 414 E Clark St., Vermillion, SD, 57069, USA] (ORCID:0000000160650732)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-6520","other_identifiers":["Journal ID: ISSN 2041-6520; CSHCBM"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2274995"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2274995"}]}, {"osti_id":"2000993","title":"Curl up with a good <em>B<\/em>: detecting ultralight dark matter with differential magnetometry","report_number":"FERMILAB-PUB-23-498-SQMS-V; arXiv:2308.10931","doi":"10.1007/jhep01(2024)178","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of High Energy Physics (Online); Journal Volume: 2024; Journal Issue: 1","description":"Ultralight dark matter (such as kinetically mixed dark-photon dark matter or axionlike dark matter) can source an oscillating magnetic-field signal at the Earth’s surface, which can be measured by a synchronized array of ground-based magnetometers. The global signal of ultralight dark matter can be robustly predicted for low masses, when the wavelength of the dark matter is larger than the radius of the Earth, $λ_{DM}$ $\\gg$ R. However, at higher masses, environmental effects, such as the Schumann resonances, can become relevant, making the global magnetic-field signal B difficult to reliably model. In this work, we show that ∇ × B is robust to global environmental details, and instead only depends on the local dark matter amplitude. We therefore propose to measure the local curl of the magnetic field at the Earth’s surface, as a means for detecting ultralight dark matter with $λ_{DM}$ ≲ R. As this measurement requires vertical gradients, it can be done near a hill/mountain. Our measurement scheme not only allows for a robust prediction, but also acts as a background rejection scheme for external noise sources. We show that our technique can be the most sensitive terrestrial probe of dark-photon dark matter for frequencies 10 Hz ≤ $f_{A\'}$ ≤ 1 kHz (corresponding to masses 4 × 10<sup>–14<\/sup> eV ≤ $m_{A\'}$ ≤ 4 × 10<sup>–12<\/sup> eV). It can also achieve sensitivities to axionlike dark matter comparable to the CAST helioscope, in the same frequency range.","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"Springer Nature","journal_name":"Journal of High Energy Physics (Online)","journal_issue":"1","journal_volume":"2024","format":"Medium: ED; Size: Article No. 178","authors":["Bloch, Itay M. [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000319314344)","Kalia, Saarik [Univ. of Minnesota, Minneapolis, MN (United States)] (ORCID:0000000273626501)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","79 ASTRONOMY AND ASTROPHYSICS","axions and ALPs","specific BSM phenomenology"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 1029-8479","other_identifiers":["Journal ID: ISSN 1029-8479; oai:inspirehep.net:2690110"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2000993"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2000993"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2000993"}]}, {"osti_id":"2222498","title":"Strategies for a scalable multi-robot large scale wire arc additive manufacturing system","doi":"10.1016/j.addlet.2023.100183","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Additive Manufacturing Letters Journal Volume: 8 Journal Issue: C","description":"Conventional robotic wire arc additive manufacturing technologies enable the rapid production of moderate-sized components using low-cost wire feedstocks and robotic welding systems. Efforts to date have primarily focused on single robot solutions. However, new configurations are possible with coordination of multiple robots and multi-degree of freedom positioners. This paper describes a new multi-agent control paradigm that enables multiple robots to work collaboratively on manufacturing a single component on a rotating platform. The advantages of this approach are increased deposition rate and productivity. This paper demonstrates this control strategy on a 19 degrees-of-freedom platform based on three wire arc additive systems surrounding a single rotating platform.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-06T00:00:00Z","publisher":"Elsevier","journal_name":"Additive Manufacturing Letters","journal_issue":"C","journal_volume":"8","format":"Medium: X; Size: Article No. 100183","authors":["Arbogast, Alex","Nycz, Andrzej","Noakes, Mark W.","Wang, Peter","Masuo, Christopher (ORCID:0000000341605658)","Vaughan, Joshua","Love, Lonnie","Lind, Randall","Carter, William","Meyer, Luke","Vaughan, Derek","Walters, Alex","Patrick, Steven","Paul, Jonathan","Flamm, Jason"],"subjects":["36 MATERIALS SCIENCE","Additive manufacturing","Robotics","Machine intelligence","Directed energy deposition","Coordinated robot motion","3D printing"],"article_type":"Published Article","doe_contract_number":"AC05- 00OR22725; AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 2772-3690","other_identifiers":["Journal ID: ISSN 2772-3690; S2772369023000634; 100183; PII: S2772369023000634"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2222498"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2222498"}]}, {"osti_id":"2281607","title":"Kinetics of the reaction of ferrous ions with hydroxyl radicals in the temperature range 25–300 °C","doi":"10.1039/D3CP03819J","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 26 Journal Issue: 5","description":"<p>\n The mechanism of the reaction of OH radicals with Fe\n <sup>2+<\/sup>\n ions changes from hydrogen atom transfer to dissociative ligand interchange above 150 °C. The activation energies of the mechanisms are different, leading to non-Arrhenius temperature dependence.\n <\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Physical Chemistry Chemical Physics. PCCP","journal_issue":"5","journal_volume":"26","format":"Medium: X; Size: p. 4278-4283","authors":["Barr, Logan [Reactor Chemistry and Corrosion, Canadian Nuclear Laboratories, 286 Plant Road, Chalk River, Ontario, Canada, K0J1J0] (ORCID:0000000220730698)","Conrad, Jacy K. [Center for Radiation Chemistry Research, Idaho National Laboratory, 1955 N. Fremont Ave., Idaho Falls, ID, 83415, USA] (ORCID:000000020745588X)","McGregor, Christine [Reactor Chemistry and Corrosion, Canadian Nuclear Laboratories, 286 Plant Road, Chalk River, Ontario, Canada, K0J1J0]","Perron, Randy [Reactor Chemistry and Corrosion, Canadian Nuclear Laboratories, 286 Plant Road, Chalk River, Ontario, Canada, K0J1J0]","Yakabuskie, Pamela A. [Reactor Chemistry and Corrosion, Canadian Nuclear Laboratories, 286 Plant Road, Chalk River, Ontario, Canada, K0J1J0]","Stuart, Craig R. [Reactor Chemistry and Corrosion, Canadian Nuclear Laboratories, 286 Plant Road, Chalk River, Ontario, Canada, K0J1J0]"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1463-9076","other_identifiers":["Journal ID: ISSN 1463-9076; PPCPFQ"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2281607"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2281607"}]}, {"osti_id":"2297396","title":"Design considerations for colliders using co-moving beams for fusion cross section research","report_number":"JLAB-ACP-23-3956; DOE/OR/23177-7261","doi":"10.1016/j.nima.2024.169158","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment","description":"Collisions between beams moving in the same direction but with different velocities allow for low center of mass energy collisions with higher energy beams. These types of systems lend themselves to fusion interactions since they require low center of mass kinetic energies but can benefit from higher energies in the constituent beams. Here we cover the design considerations for a machine that could study these types of interactions. Furthermore, we especially highlight reactants that can be stored and collided in a single ring, using a collision timing system known as gear-changing, which could allow for a proof-of-concept experiment in an existing machine.","publication_date":"2024-02-05T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"Elsevier","journal_name":"Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment","format":"Medium: ED","authors":["Nissen, E. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)] (ORCID:0000000197428334)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","Gear-changing","Beam synchronization","Fusion","Bare nucleon fusion"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-06OR23177; OISE-1927130","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"},{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)","USDOE Office of Science (SC), Nuclear Physics (NP)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"}],"research_orgs":["Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)"],"journal_issn":"ISSN 0168-9002","other_identifiers":["Journal ID: ISSN 0168-9002"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2297396"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2297396"}]}, {"osti_id":"2278865","title":"Sulfur functionalized biocarbon sorbents for low-concentration mercury isolation","doi":"10.1039/D3DT02625F","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Dalton Transactions Journal Volume: 53 Journal Issue: 5","description":"<p>Sulfur functionalized biocarbons were prepared from naturally abundant lignin alkali with sodium thiocyanate as an activation agent and a sulfur source.<\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Dalton Transactions","journal_issue":"5","journal_volume":"53","format":"Medium: X; Size: p. 2098-2107","authors":["Austin, Douglas [Department of Chemistry, Delaware State University, Dover, Delaware 19901, USA] (ORCID:0009000714253761)","Jahan, Kousar [Department of Chemistry, Delaware State University, Dover, Delaware 19901, USA] (ORCID:0000000256504238)","Feng, Xu [Surface Analysis Facility, University of Delaware, Newark, DE 19716, USA] (ORCID:0000000319451605)","Carney, Jared [Department of Chemistry, Delaware State University, Dover, Delaware 19901, USA]","Hensley, Dale K. [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA]","Chen, Jihua [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA]","Altidor, Brianna E. [Department of Chemistry, Delaware State University, Dover, Delaware 19901, USA]","Guo, Zhiyong [College of Materials Science and Engineering, Fuzhou University, Fuzhou, Fujian Province 350108, China] (ORCID:0000000231810327)","Michaelis, Elizabeth [Department of Chemistry, Delaware State University, Dover, Delaware 19901, USA]","Kebaso, Mariana K. [Department of Chemistry, Delaware State University, Dover, Delaware 19901, USA]","Yue, Yanfeng [Department of Chemistry, Delaware State University, Dover, Delaware 19901, USA] (ORCID:0000000202141806)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1477-9226","other_identifiers":["Journal ID: ISSN 1477-9226; ICHBD9"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2278865"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2278865"}]}, {"osti_id":"2279122","title":"Experimental discovery of novel ammonia synthesis catalysts\n <i>via<\/i>\n active learning","doi":"10.1039/D3TA05939A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 5","description":"<p>Active learning based on literature and experimental data enabled the discovery of highly active novel catalysts for ammonia synthesis. Pathway analysis implies that these activities have been achieved by both structural and electronic promotion.<\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"5","journal_volume":"12","format":"Medium: X; Size: p. 3046-3060","authors":["Jayarathna, Rasika [Department of Chemical Engineering, University of South Carolina, 541 Main St., Columbia, SC 29208, USA] (ORCID:0000000220737910)","Onsree, Thossaporn [Department of Chemical Engineering, University of South Carolina, 541 Main St., Columbia, SC 29208, USA]","Drummond, Samuel [Department of Chemical Engineering, University of South Carolina, 541 Main St., Columbia, SC 29208, USA]","Naglic, Jennifer [Department of Chemical Engineering, University of South Carolina, 541 Main St., Columbia, SC 29208, USA]","Lauterbach, Jochen [Department of Chemical Engineering, University of South Carolina, 541 Main St., Columbia, SC 29208, USA] (ORCID:0000000183037703)"],"article_type":"Publisher\'s Accepted Manuscript","doe_contract_number":"EE0009409","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2279122"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2279122"}]}, {"osti_id":"2283252","title":"The synthesis and characterization of an iron(VII) nitrido complex","doi":"10.1038/s41557-023-01418-4","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Chemistry","description":"<title>Abstract<\/title>\n <p>\n Complexes of iron in high oxidation states are captivating research subjects due to their pivotal role as active intermediates in numerous catalytic processes. Structural and spectroscopic studies of well-defined model complexes often provide evidence of these intermediates. In addition to the fundamental molecular and electronic structure insights gained by these complexes, their reactivity also affects our understanding of catalytic reaction mechanisms for small molecule and bond-activation chemistry. Here, we report the synthesis, structural and spectroscopic characterization of a stable, octahedral Fe(VI) nitrido complex and an authenticated, unique Fe(VII) species, prepared by one-electron oxidation. The super-oxidized Fe(VII) nitride rearranges to an Fe(V) imide through an intramolecular amination mechanism and ligand exchange, which is characterized spectroscopically and computationally. This enables combined reactivity and stability studies on a single molecular system of a rare high-valent complex redox pair. Quantum chemical calculations complement the spectroscopic parameters and provide evidence for a diamagnetic (\n <italic>S<\/italic>\n = 0)\n <italic>d<\/italic>\n <sup>2<\/sup>\n Fe(VI) and a genuine\n <italic>S<\/italic>\n = 1/2,\n <italic>d<\/italic>\n <sup>1<\/sup>\n Fe(VII) configuration of these super-oxidized nitrido complexes.\n <\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Chemistry","format":"Medium: X","authors":["Keilwerth, Martin (ORCID:0000000288016888)","Mao, Weiqing (ORCID:0000000168525274)","Malischewski, Moritz (ORCID:0000000267562951)","Jannuzzi, Sergio A. V. (ORCID:0000000174066633)","Breitwieser, Kevin (ORCID:0000000270128750)","Heinemann, Frank W. (ORCID:0000000290078404)","Scheurer, Andreas (ORCID:0000000228589406)","DeBeer, Serena (ORCID:0000000251963400)","Munz, Dominik (ORCID:000000033412651X)","Bill, Eckhard","Meyer, Karsten (ORCID:0000000278442998)"],"article_type":"Published Article","doe_contract_number":"AC02-76SF00515","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1755-4330","other_identifiers":["Journal ID: ISSN 1755-4330; PII: 1418"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283252"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283252"}]}, {"osti_id":"2301625","title":"Science Use Case Design Patterns for Autonomous Experiments","doi":"10.1145/3628034.3628060","product_type":"Conference","language":"English","country_publication":"United States","relation":"Conference: 28th European Conference on Pattern Languages of Programs (EuroPLoP) - Irsee, , Germany - 7/5/2023 8:00:00 AM-7/9/2023 8:00:00 AM","description":"Connecting scientific instruments and robot-controlled laboratories with computing and data resources at the edge, the Cloud or the high-performance computing (HPC) center enables autonomous experiments, self-driving laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The Self-driven Experiments for Science / Interconnected Science Ecosystem (INTERSECT) Open Architecture enables science breakthroughs using intelligent networked systems, instruments and facilities with a federated hardware/software architecture for the laboratory of the future. It relies on a novel approach, consisting of (1) science use case design patterns, (2) a system of systems architecture, and (3) a microservice architecture. This paper introduces the science use case design patterns of the INTERSECT Architecture. It describes the overall background, the involved terminology and concepts, and the pattern format and classification. It further offers an overview of the 12 defined patterns and 4 examples of patterns of 2 different pattern classes. It also provides insight into building solutions from these patterns. The target audience are computer, computational, instrument and domain science experts working in the field of autonomous experiments.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","format":"Medium: ED; Size: 1","authors":["Engelmann, Christian [ORNL] (ORCID:0000000343656416)","Somnath, Suhas [ORNL] (ORCID:0000000253983050)"],"doe_contract_number":"AC05-00OR22725","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"conference_info":"Conference: 28th European Conference on Pattern Languages of Programs (EuroPLoP) - Irsee, , Germany - 7/5/2023 8:00:00 AM-7/9/2023 8:00:00 AM","links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301625"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2301625"}]}, {"osti_id":"2311883","title":"The battery failure databank: Insights from an open-access database of thermal runaway behaviors of Li-ion cells and a resource for benchmarking risks","report_number":"NREL/JA-5700-87431","doi":"10.1016/j.jpowsour.2024.234106","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Power Sources; Journal Volume: 597","description":"The thermal response of Li-ion cells can greatly vary for identical cell designs tested under identical conditions, the distribution of which is costly to fully characterize experimentally. The open-source Battery Failure Databank presented here contains robust, high-quality data from hundreds of abuse tests spanning numerous commercial cell designs and testing conditions. Data was gathered using a fractional thermal runaway calorimeter and contains the fractional breakdown of heat and mass that was ejected, as well as high-speed synchrotron radiography of the internal dynamic response of cells during thermal runaway. The distribution of thermal output, mass ejection, and internal response of commercial cells are compared for different abuse-test conditions, which when normalized on a per amp-hour basis show a strong positive correlation between heat output from cells, the fraction of mass ejected from the cells, their energy- and power-density. Ejected mass was shown to contain 10x more heat per gram than non-ejected mass. The causes of \'outlier\' thermal and ejection responses i.e., extreme cases, are elucidated by high-speed radiography which showed how occurrences such as vent clogging can create more hazardous conditions. High-speed radiography also demonstrated how the time-resolved interplay of thermal runaway propagation and mass ejection influences the total heat generated.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-28T00:00:00Z","publisher":"Elsevier","journal_name":"Journal of Power Sources","journal_volume":"597","format":"Medium: ED; Size: Article No. 234106","authors":["Finegan, Donal P. [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:000000034633560X)","Billman, Julia [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:000000016208472X)","Darst, Jacob [NASA Johnson Space Center, Houston, TX (United States)]","Hughes, Peter [NASA Johnson Space Center, Houston, TX (United States)]","Trillo, Jesus [NASA Johnson Space Center, Houston, TX (United States)]","Sharp, Matt [National Renewable Energy Laboratory (NREL), Golden, CO (United States)]","Benson, Alex [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:0000000322817348)","Pham, Martin [University College London (United Kingdom)]","Kesuma, Inez [University College London (United Kingdom); Harwell Science and Innovation Campus, Didcot (United Kingdom). The Faraday Institution]","Buckwell, Mark [University College London (United Kingdom); Harwell Science and Innovation Campus, Didcot (United Kingdom). The Faraday Institution] (ORCID:0000000300315929)","Reid, Hamish T. [University College London (United Kingdom)] (ORCID:0000000319708650)","Kirchner-Burles, Charlie [University College London (United Kingdom); Harwell Science and Innovation Campus, Didcot (United Kingdom). The Faraday Institution] (ORCID:000000032823838X)","Fransson, Matilda [University College London (United Kingdom)]","Petrushenko, David [NASA Johnson Space Center, Houston, TX (United States)]","Heenan, Thomas M.M. [University College London (United Kingdom); Harwell Science and Innovation Campus, Didcot (United Kingdom). The Faraday Institution] (ORCID:0000000199124772)","Jervis, Rhodri [University College London (United Kingdom); Harwell Science and Innovation Campus, Didcot (United Kingdom). The Faraday Institution]","Owen, Rhodri [University College London (United Kingdom); Harwell Science and Innovation Campus, Didcot (United Kingdom). The Faraday Institution]","Patel, Drasti [University College London (United Kingdom)] (ORCID:0000000342882825)","Broche, Ludovic [ESRF – The European Synchrotron, Grenoble (France)]","Rack, Alexander [ESRF – The European Synchrotron, Grenoble (France)] (ORCID:0000000194863621)","Magdysyuk, Oxana [Harwell Science and Innovation Campus, Didcot (United Kingdom). Diamond Light Source]","Keyser, Matt [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:000000026929847X)","Walker, William [NASA Johnson Space Center, Houston, TX (United States)] (ORCID:0000000245196532)","Shearing, Paul [University College London (United Kingdom); Harwell Science and Innovation Campus, Didcot (United Kingdom). The Faraday Institution; University of Oxford (United Kingdom)]","Darcy, Eric [NASA Johnson Space Center, Houston, TX (United States)]"],"subjects":["30 DIRECT ENERGY CONVERSION","25 ENERGY STORAGE","battery","li-ion","safety","x-ray"],"article_type":"Accepted Manuscript","doe_contract_number":"AC36-08GO28308; FIRG 058; FIRG 060; FIRG 061; CiET1718/59","orgs_sponsor":[{"name":"USDOE"},{"name":"National Aeronautics and Space Administration (NASA)"},{"name":"Faraday Institution"},{"name":"UK Department of Business, Energy and Industrial Strategy"},{"name":"Royal Academy of Engineering"}],"sponsor_orgs":["USDOE","National Aeronautics and Space Administration (NASA)","Faraday Institution","UK Department of Business, Energy and Industrial Strategy","Royal Academy of Engineering"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 0378-7753","other_identifiers":["Journal ID: ISSN 0378-7753; MainId:88206;UUID:2a7cd077-c721-4e54-9ea2-1bba4fad13f7;MainAdminId:71925"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311883"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2311883"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311883"}]}, {"osti_id":"2283468","title":"Distinguishing under- and over-coupled resonances without prior knowledge","doi":"10.1364/OPTICA.511062","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Optica Journal Volume: 11 Journal Issue: 2","description":"<p>We show that it is unreliable to determine the coupling condition of optical resonances by analyzing the extinction ratio change with wavelengths. We propose and demonstrate the unambiguous discrimination between under- and over-coupled resonances using binary phase modulation in power transmission measurement.<\/p>","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Optical Society of America","journal_name":"Optica","journal_issue":"2","journal_volume":"11","format":"Medium: X; Size: Article No. 176","authors":["Cui, Chaohan (ORCID:0000000345178980)","Zhang, Liang","Wu, Bo-Han","Liu, Shuai","Chen, Pao-Kang (ORCID:0000000197107645)","Fan, Linran (ORCID:0000000254987352)"],"article_type":"Published Article","doe_contract_number":"Field Work Proposal ERKJ355","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2334-2536","other_identifiers":["Journal ID: ISSN 2334-2536"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283468"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283468"}]}, {"osti_id":"2290444","title":"The structural OFF and ON states of myosin can be decoupled from the biochemical super- and disordered-relaxed states","doi":"10.1093/pnasnexus/pgae039","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: PNAS Nexus Journal Volume: 3 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>There is a growing awareness that both thick-filament and classical thin-filament regulations play central roles in modulating muscle contraction. Myosin ATPase assays have demonstrated that under relaxed conditions, myosin may reside either in a high-energy-consuming disordered-relaxed (DRX) state available for binding actin to generate force or in an energy-sparing super-relaxed (SRX) state unavailable for actin binding. X-ray diffraction studies have shown that the majority of myosin heads are in a quasi-helically ordered OFF state in a resting muscle and that this helical ordering is lost when myosin heads are turned ON for contraction. It has been assumed that myosin heads in SRX and DRX states are equivalent to the OFF and ON states, respectively, and the terms have been used interchangeably. In this study, we use X-ray diffraction and ATP turnover assays to track the structural and biochemical transitions of myosin heads, respectively, induced with either omecamtiv mecarbil (OM) or piperine in relaxed porcine myocardium. We find that while OM and piperine induce dramatic shifts of myosin heads from the OFF to the ON state, there are no appreciable changes in the population of myosin heads in the SRX and DRX states in both unloaded and loaded preparations. Our results show that biochemically defined SRX and DRX can be decoupled from structurally defined OFF and ON states. In summary, while SRX/DRX and OFF/ON transitions can be correlated in some cases, these two phenomena are measured using different approaches, reflect different properties of the thick filament, and should be investigated and interpreted separately.<\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-08T00:00:00Z","publisher":"Oxford University Press","journal_name":"PNAS Nexus","journal_issue":"2","journal_volume":"3","format":"Medium: X","authors":["Jani, Vivek P. (ORCID:0000000238114973)","Song, Taejeong (ORCID:0000000166481263)","Gao, Chengqian (ORCID:0009000051075326)","Gong, Henry","Sadayappan, Sakthivel (ORCID:0000000320067678)","Kass, David A. (ORCID:0000000315962299)","Irving, Thomas C. (ORCID:0000000348483323)","Ma, Weikang (ORCID:0000000195357114)","Bahar, ed., Ivet"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2752-6542","other_identifiers":["Journal ID: ISSN 2752-6542; pgae039"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290444"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290444"}]}, {"osti_id":"2283262","title":"Characterization of a Unique Pair of Ferredoxin and Ferredoxin NADP+ Reductase Isoforms That Operates in Non-Photosynthetic Glandular Trichomes","doi":"10.3390/plants13030409","product_type":"Journal Article","language":"English","country_publication":"Netherlands","relation":"Journal Name: Plants Journal Volume: 13 Journal Issue: 3","description":"<p>Our recent investigations indicated that isoforms of ferredoxin (Fd) and ferredoxin NADP+ reductase (FNR) play essential roles for the reductive steps of the 2C-methyl-D-erythritol 4-phosphate (MEP) pathway of terpenoid biosynthesis in peppermint glandular trichomes (GTs). Based on an analysis of several transcriptome data sets, we demonstrated the presence of transcripts for a leaf-type FNR (L-FNR), a leaf-type Fd (Fd I), a root-type FNR (R-FNR), and two root-type Fds (Fd II and Fd III) in several members of the mint family (Lamiaceae). The present study reports on the biochemical characterization of all Fd and FNR isoforms of peppermint (Mentha × piperita L.). The redox potentials of Fd and FNR isoforms were determined using photoreduction methods. Based on a diaphorase assay, peppermint R-FNR had a substantially higher specificity constant (kcat/Km) for NADPH than L-FNR. Similar results were obtained with ferricyanide as an electron acceptor. When assayed for NADPH–cytochrome c reductase activity, the specificity constant with the Fd II and Fd III isoforms (when compared to Fd I) was slightly higher for L-FNR and substantially higher for R-FNR. Based on real-time quantitative PCR assays with samples representing various peppermint organs and cell types, the Fd II gene was expressed very highly in metabolically active GTs (but also present at lower levels in roots), whereas Fd III was expressed at low levels in both roots and GTs. Our data provide evidence that high transcript levels of Fd II, and not differences in the biochemical properties of the encoded enzyme when compared to those of Fd III, are likely to support the formation of copious amounts of monoterpene via the MEP pathway in peppermint GTs. This work has laid the foundation for follow-up studies to further investigate the roles of a unique R-FNR–Fd II pair in non-photosynthetic GTs of the Lamiaceae.<\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"MDPI AG","journal_name":"Plants","journal_issue":"3","journal_volume":"13","format":"Medium: X; Size: Article No. 409","authors":["Polito, Joshua T.","Lange, Iris","Barton, Kaylie E.","Srividya, Narayanan (ORCID:0000000179347987)","Lange, B. Markus (ORCID:0000000165659584)"],"article_type":"Published Article","doe_contract_number":"DE–SC0001553","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2223-7747","other_identifiers":["Journal ID: ISSN 2223-7747; PLANCD; PII: plants13030409"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283262"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283262"}]}, {"osti_id":"2283264","title":"Structural transformation of dusty plasma crystal in dc discharge plasma by changing confinement ring bias","doi":"10.1103/PhysRevResearch.6.013119","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Research Journal Volume: 6 Journal Issue: 1","description":"We report an experimental study of the structural transition of a stable complex plasma crystal to a solid-liquid phase coexistence by the controlled adjustment of the confinement potential, while keeping all other parameters constant. The experiments are carried out on a tabletop linear dusty plasma experimental device, which consists of a circular powered electrode and an extended grounded cathode plate. A stationary crystal of melamine formaldehyde particles is formed in a background of argon plasma inside a confining ring that is isolated from the cathode by a ceramic cover. The stable crystal structure breaks in the core region and transitions to a coexistent state by carefully changing the confining potential, thereby modifying the sheath structure. The transition is confirmed by evaluating the variation in different characteristic parameters such as the pair correlation function, local bond order parameter, and dust kinetic temperature as a function of confining bias potential. It is found that melting in the core is due to the onset of dust fluctuations in the layers beneath the topmost layer, which grow in amplitude as the confining bias potential is reduced below a threshold value. The present technique of changing confinement provides a unique feature to study structural transitions of plasma crystals without affecting the overall plasma parameters.","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review Research","journal_issue":"1","journal_volume":"6","format":"Medium: X","authors":["Jaiswal, S. (ORCID:0000000284472739)","Belt, Connor","Kananovich, Anton (ORCID:0000000225374952)","Aguirre, E. M. (ORCID:0000000274457869)"],"subjects":["70 PLASMA PHYSICS AND FUSION TECHNOLOGY","phase transitions","dusty of complex plasma"],"article_type":"Published Article","doe_contract_number":"SC0023111","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Fusion Energy Sciences (FES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Fusion Energy Sciences (FES)"],"orgs_research":[{"name":"Eastern Michigan University, Ypsilanti, MI (United States)"}],"research_orgs":["Eastern Michigan University, Ypsilanti, MI (United States)"],"journal_issn":"ISSN 2643-1564","other_identifiers":["Journal ID: ISSN 2643-1564; PPRHAI; 013119"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283264"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283264"}]}, {"osti_id":"2279118","title":"Resolving a structural issue in cerium-nickel-based oxide: a single compound or a two-phase system?","doi":"10.1039/D3DT03280A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Dalton Transactions Journal Volume: 53 Journal Issue: 5","description":"<p>\n Preparation of CeNiO\n <sub>3<\/sub>\n in order to elucidate the actual crystal structure with the aim of establishing a structure–property relationship. Three different structural models were proposed accompanied by detailed structural analysis.\n <\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Dalton Transactions","journal_issue":"5","journal_volume":"53","format":"Medium: X; Size: p. 2082-2097","authors":["Kojčinović, Jelena [Department of Chemistry, Josip Juraj Strossmayer University of Osijek, Cara Hadrijana 8/A, 31000 Osijek, Croatia] (ORCID:0000000314200380)","Tatar, Dalibor [Department of Chemistry, Josip Juraj Strossmayer University of Osijek, Cara Hadrijana 8/A, 31000 Osijek, Croatia] (ORCID:0000000337227420)","Šarić, Stjepan [Department of Chemistry, Josip Juraj Strossmayer University of Osijek, Cara Hadrijana 8/A, 31000 Osijek, Croatia]","Bartus Pravda, Cora [Department of Applied and Environmental Chemistry, University of Szeged, 6720 Szeged, Hungary]","Mavrič, Andraž [University of Nova Gorica, Vipavska 13, 5000 Nova Gorica, Slovenia] (ORCID:0000000320179880)","Arčon, Iztok [University of Nova Gorica, Vipavska 13, 5000 Nova Gorica, Slovenia, Institute Jožef Stefan, Jamova 39, 1000 Ljubljana, Slovenia]","Jagličić, Zvonko [Institute of Mathematics, Physics, and Mechanics, University of Ljubljana, Jamova 2, 1000 Ljubljana, Slovenia, Faculty of Civil & Geodetic Engineering, University of Ljubljana, Jadranska 19, 1000 Ljubljana, Slovenia]","Mellin, Maximilian [Surface Science Laboratory, Department of Materials and Earth Sciences, Technical University of Darmstadt, Otto-Berndt-Strasse 3, 64287 Darmstadt, Germany] (ORCID:0000000297654478)","Einert, Marcus [Surface Science Laboratory, Department of Materials and Earth Sciences, Technical University of Darmstadt, Otto-Berndt-Strasse 3, 64287 Darmstadt, Germany] (ORCID:000000016717656X)","Altomare, Angela [Institute of Crystallography, CNR, via Amendola 122/o, Bari 70126, Italy]","Caliandro, Rocco [Institute of Crystallography, CNR, via Amendola 122/o, Bari 70126, Italy] (ORCID:0000000203684925)","Kukovecz, Ákos [Department of Applied and Environmental Chemistry, University of Szeged, 6720 Szeged, Hungary] (ORCID:0000000307169557)","Hofmann, Jan Philipp [Surface Science Laboratory, Department of Materials and Earth Sciences, Technical University of Darmstadt, Otto-Berndt-Strasse 3, 64287 Darmstadt, Germany] (ORCID:0000000257651096)","Djerdj, Igor [Department of Chemistry, Josip Juraj Strossmayer University of Osijek, Cara Hadrijana 8/A, 31000 Osijek, Croatia] (ORCID:0000000206464928)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1477-9226","other_identifiers":["Journal ID: ISSN 1477-9226; ICHBD9"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2279118"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2279118"}]}, {"osti_id":"2283872","title":"Plant choice between arbuscular mycorrhizal fungal species results in increased plant P acquisition","doi":"10.1371/journal.pone.0292811","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: PLoS ONE; Journal Volume: 19; Journal Issue: 1","description":"Arbuscular mycorrhizal fungi (AMF) are plant root symbionts that provide phosphorus (P) to plants in exchange for photosynthetically fixed carbon (C). Previous research has shown that plants—given a choice among AMF species—may preferentially allocate C to AMF species that provide more P. However, these investigations rested on a limited set of plant and AMF species, and it therefore remains unclear how general this phenomenon is. Here, we combined 4 plant and 6 AMF species in 24 distinct plant-AMF species compositions in split-root microcosms, manipulating the species identity of AMF in either side of the root system. Using <sup>14<\/sup>C and <sup>32<\/sup>P/<sup>33<\/sup>P radioisotope tracers, we tracked the transfer of C and P between plants and AMF, respectively. We found that when plants had a choice of AMF species, AMF species which transferred more P acquired more C. Evidence for preferential C allocation to more beneficial AMF species within individual plant roots was equivocal. However, AMF species which transferred more P to plants did so at lower C-to-P ratios, highlighting the importance both of absolute and relative costs of P acquisition from AMF. When plants had a choice of AMF species, their shoots contained a larger total amount of P at higher concentrations. Our results thus highlight the benefits of plant C choice among AMF for plant P acquisition.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Public Library of Science","journal_name":"PLoS ONE","journal_issue":"1","journal_volume":"19","format":"Medium: ED; Size: Article No. e0292811","authors":["Weber, Sören Eliot [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Zurich (Switzerland)] (ORCID:0000000263515365)","Bascompte, Jordi [Univ. of Zurich (Switzerland)]","Kahmen, Ansgar [Univ. of Basel (Switzerland)]","Niklaus, Pascal A. [Univ. of Zurich (Switzerland)]"],"subjects":["59 BASIC BIOLOGICAL SCIENCES"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1932-6203","other_identifiers":["Journal ID: ISSN 1932-6203"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283872"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2283872"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283872"}]}, {"osti_id":"2283247","title":"Optimal thermodynamic conditions to minimize kinetic by-products in aqueous materials synthesis","doi":"10.1038/s44160-023-00479-0","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Synthesis","description":"<title>Abstract<\/title>\n <p>\n Phase diagrams offer substantial predictive power for materials synthesis by identifying the stability regions of target phases. However, thermodynamic phase diagrams do not offer explicit information regarding the kinetic competitiveness of undesired by-product phases. Here we propose a quantitative and computable thermodynamic metric to identify synthesis conditions under which the propensity to form kinetically competing by-products is minimized. We hypothesize that thermodynamic competition is minimized when the difference in free energy between a target phase and the minimal energy of all other competing phases is maximized. We validate this hypothesis for aqueous materials synthesis through two empirical approaches: first, by analysing 331 aqueous synthesis recipes text-mined from the literature; and second, by systematic experimental synthesis of LiIn(IO\n <sub>3<\/sub>\n )\n <sub>4<\/sub>\n and LiFePO\n <sub>4<\/sub>\n across a wide range of aqueous electrochemical conditions. Our results show that even for synthesis conditions that are within the stability region of a thermodynamic Pourbaix diagram, phase-pure synthesis occurs only when thermodynamic competition with undesired phases is minimized.\n <\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Synthesis","format":"Medium: X","authors":["Wang, Zheren (ORCID:0000000227429451)","Sun, Yingzhi (ORCID:0000000335596863)","Cruse, Kevin (ORCID:0000000205404165)","Zeng, Yan (ORCID:0000000258311210)","Fei, Yuxing (ORCID:0000000212252083)","Liu, Zexuan (ORCID:0000000222191966)","Shangguan, Junyi (ORCID:0009000614596978)","Byeon, Young-Woon (ORCID:0000000326847720)","Jun, KyuJung (ORCID:000000031974028X)","He, Tanjin (ORCID:0000000188348703)","Sun, Wenhao (ORCID:000000028416455X)","Ceder, Gerbrand (ORCID:0000000192753605)"],"article_type":"Published Article","doe_contract_number":"AC02-05-CH11231","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2731-0582","other_identifiers":["Journal ID: ISSN 2731-0582; PII: 479"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283247"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283247"}]}, {"osti_id":"2301763","title":"Training custom light curve models of SN Ia subpopulations selected according to host galaxy properties","doi":"10.1093/mnras/stae293","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 528 Journal Issue: 3","description":"<title>ABSTRACT<\/title>\n <p>Type Ia supernova (SN Ia) cosmology analyses include a luminosity step function in their distance standardization process to account for an observed yet unexplained difference in the post-standardization luminosities of SNe Ia originating from different host galaxy populations [e.g. high-mass ($M \\gtrsim 10^{10} \\, {\\rm M}_{\\odot }$) versus low-mass galaxies]. We present a novel method for including host-mass correlations in the SALT3 (Spectral Adaptive Light curve Template 3) light curve model used for standardizing SN Ia distances. We split the SALT3 training sample according to host-mass, training independent models for the low- and high-host-mass samples. Our models indicate that there are different average Si ii spectral feature strengths between the two populations, and that the average spectral energy distribution of SNe from low-mass galaxies is bluer than the high-mass counterpart. We then use our trained models to perform an SN cosmology analysis on the 3-yr spectroscopically confirmed Dark Energy Survey SN sample, treating SNe from low- and high-mass host galaxies as separate populations throughout. We find that our mass-split models reduce the Hubble residual scatter in the sample, albeit at a low statistical significance. We do find a reduction in the mass-correlated luminosity step but conclude that this arises from the model-dependent re-definition of the fiducial SN absolute magnitude rather than the models themselves. Our results stress the importance of adopting a standard definition of the SN parameters (x0, x1, c) in order to extract the most value out of the light curve modelling tools that are currently available and to correctly interpret results that are fit with different models.<\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"3","journal_volume":"528","format":"Medium: X; Size: p. 4643-4656","authors":["Taylor, G. (ORCID:0000000157563259)","Lidman, C. (ORCID:0000000317310497)","Popovic, B.","Abbot, H. J."],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301763"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301763"}]}, {"osti_id":"1997538","title":"Search for Scalar Leptoquarks Produced via $τ$ -Lepton–Quark Scattering in $pp$ Collisions at $\\sqrt{s}= 13$ TeV","report_number":"CMS-EXO-22-018; CERN-EP-2023-129; FERMILAB-PUB-23-442-CMS; arXiv:2308.06143","doi":"10.1103/physrevlett.132.061801","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review Letters; Journal Volume: 132; Journal Issue: 6","description":"The first search for scalar leptoquarks produced in τ-lepton–quark collisions is presented. It is based on a set of proton-proton collision data recorded with the CMS detector at the LHC at a center-of-mass energy of 13 TeV corresponding to an integrated luminosity of 138 fb<sup>–1<\/sup>. The reconstructed final state consists of a jet, significant missing transverse momentum, and a τ lepton reconstructed through its hadronic or leptonic decays. Limits are set on the product of the leptoquark production cross section and branching fraction and interpreted as exclusions in the plane of the leptoquark mass and the leptoquark-τ-quark coupling strength.","publication_date":"2024-02-08T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review Letters","journal_issue":"6","journal_volume":"132","format":"Medium: ED; Size: Article No. 061801","authors":["Hayrapetyan, A.","Tumasyan, A. (ORCID:0009000006846742)","Adam, W. (ORCID:0000000190994341)","Andrejkovic, J. W.","Bergauer, T. (ORCID:0000000257860293)","Chatterjee, S. (ORCID:0000000301859872)","Damanakis, K. (ORCID:0000000153892872)","Dragicevic, M. (ORCID:0000000319676783)","Escalante Del Valle, A. (ORCID:0000000297026359)","Hussain, P. S. (ORCID:0000000248255278)","Jeitler, M. (ORCID:0000000251419560)","Krammer, N. (ORCID:0000000205480985)","Liko, D. (ORCID:000000023380473X)","Mikulec, I. (ORCID:0000000303852746)","Schieck, J. (ORCID:0000000210588093)","Schöfbeck, R. (ORCID:0000000223328784)","Schwarz, D. (ORCID:0000000238217331)","Sonawane, M. (ORCID:0000000305107010)","Templ, S. (ORCID:0000000331375692)","Waltenberger, W. (ORCID:0000000262157228)","Wulz, C. -E. (ORCID:0000000192265812)","Darwish, M. R. (ORCID:0000000328942377)","Janssen, T. (ORCID:0000000239984081)","Van Mechelen, P. (ORCID:0000000287319051)","Bols, E. S. (ORCID:0000000285648732)","D’Hondt, J. (ORCID:0000000295986241)","Dansana, S. (ORCID:0000000277527471)","De Moor, A. (ORCID:0000000159641935)","Delcourt, M. (ORCID:0000000182061787)","El Faham, H. (ORCID:0000000188942390)","Lowette, S. (ORCID:0000000339849987)","Makarenko, I. (ORCID:0000000285534508)","Müller, D. (ORCID:0000000217524527)","Sahasransu, A. R. (ORCID:0000000315051743)","Tavernier, S. (ORCID:0000000267929522)","Tytgat, M. (ORCID:0000000239902074)","Van Putte, S. (ORCID:0000000315593606)","Vannerom, D. (ORCID:0000000227475095)","Clerbaux, B. (ORCID:0000000185478211)","De Lentdecker, G. (ORCID:0000000151247693)","Favart, L. (ORCID:0000000316457454)","Hohov, D. (ORCID:0000000247601597)","Jaramillo, J. (ORCID:0000000338856608)","Khalilzadeh, A.","Lee, K. (ORCID:0000000308084184)","Mahdavikhorrami, M. (ORCID:0000000282653595)","Malara, A. (ORCID:0000000186459282)","Paredes, S. (ORCID:0000000184879603)","Pétré, L. (ORCID:0009000079795771)","Postiau, N.","Thomas, L. (ORCID:0000000227563853)","Vanden Bemden, M. (ORCID:0009000077257945)","Vander Velde, C. (ORCID:0000000333927294)","Vanlaer, P. (ORCID:0000000279314496)","De Coen, M. (ORCID:0000000258547442)","Dobur, D. (ORCID:0000000300124866)","Hong, Y. (ORCID:0000000347522458)","Knolle, J. (ORCID:0000000247815704)","Lambrecht, L. (ORCID:0000000191081560)","Mestdach, G.","Rendón, C.","Samalan, A.","Skovpen, K. (ORCID:0000000211600621)","Van Den Bossche, N. (ORCID:0000000329734991)","Wezenbeek, L. (ORCID:000000016952891X)","Benecke, A. (ORCID:0000000302523609)","Bruno, G. (ORCID:0000000188578197)","Caputo, C. (ORCID:0000000175224808)","Delaere, C. (ORCID:0000000187076021)","Donertas, I. S. (ORCID:000000017485412X)","Giammanco, A. (ORCID:0000000196408294)","Jaffel, K. (ORCID:0000000174194248)","Jain, Sa (ORCID:0000000150783689)","Lemaitre, V.","Lidrych, J. (ORCID:0000000314390196)","Mastrapasqua, P. (ORCID:0000000220432367)","Mondal, K. (ORCID:0000000159671245)","Tran, T. T. (ORCID:000000033060350X)","Wertz, S. (ORCID:0000000286453670)","Alves, G. A. (ORCID:0000000283691446)","Coelho, E. (ORCID:0000000161149907)","Hensel, C. (ORCID:0000000188747624)","Menezes De Oliveira, T.","Moraes, A. (ORCID:0000000251575686)","Rebello Teles, P. (ORCID:0000000190298506)","Soeiro, M.","Aldá Júnior, W. L. (ORCID:0000000158559817)","Alves Gallo Pereira, M. (ORCID:0000000342967028)","Barroso Ferreira Filho, M. (ORCID:0000000339040571)","Brandao Malbouisson, H. (ORCID:000000021326318X)","Carvalho, W. (ORCID:0000000307386615)","Chinellato, J.","Da Costa, E. M. (ORCID:0000000250166434)","Da Silveira, G. G. (ORCID:0000000335147056)","De Jesus Damiao, D. (ORCID:0000000237691680)","Fonseca De Souza, S. (ORCID:0000000178300837)","Martins, J. (ORCID:0000000221202782)","Mora Herrera, C. (ORCID:0000000339153170)","Mota Amarilo, K. (ORCID:0000000317073348)","Mundim, L. (ORCID:0000000199647805)","Nogima, H. (ORCID:0000000177051066)","Santoro, A. (ORCID:000000020568665X)","Silva Do Amaral, S. M. (ORCID:0000000202099687)","Sznajder, A. (ORCID:0000000169981108)","Thiel, M. (ORCID:0000000171397963)","Vilela Pereira, A. (ORCID:0000000331774626)","Bernardes, C. A. (ORCID:0000000157909563)","Calligaris, L. (ORCID:0000000299519448)","Tomei, T. R. Perez (ORCID:0000000218095226)","Gregores, E. M. (ORCID:0000000302051672)","Mercadante, P. G. (ORCID:0000000183334302)","Novaes, S. F. (ORCID:0000000304718549)","Orzari, B. (ORCID:0000000342324743)","Padula, Sandra S. (ORCID:0000000330710559)","Aleksandrov, A. (ORCID:0000000169342541)","Antchev, G. (ORCID:0000000332105037)","Hadjiiska, R. (ORCID:0000000318241737)","Iaydjiev, P. (ORCID:0000000163300607)","Misheva, M. (ORCID:0000000348545301)","Shopova, M. (ORCID:0000000166642493)","Sultanov, G. (ORCID:0000000280303866)","Dimitrov, A. (ORCID:000000032899701X)","Ivanov, T. (ORCID:0000000304899191)","Litov, L. (ORCID:0000000285116883)","Pavlov, B. (ORCID:0000000336350646)","Petkov, P. (ORCID:0000000204209480)","Petrov, A. (ORCID:0009000388991514)","Shumka, E. (ORCID:0000000201042574)","Keshri, S. (ORCID:0000000332802350)","Thakur, S. (ORCID:0000000216470360)","Cheng, T. (ORCID:0000000329549315)","Guo, Q.","Javaid, T. (ORCID:0009000727574054)","Mittal, M. (ORCID:0000000268338521)","Yuan, L. (ORCID:0000000267195397)","Bauer, G.","Hu, Z. (ORCID:0000000182094343)","Liu, J.","Yi, K. (ORCID:0000000224591824)","Chen, G. M. (ORCID:0000000226295420)","Chen, H. S. (ORCID:0000000186728227)","Chen, M. (ORCID:0000000304899669)","Iemmi, F. (ORCID:0000000159114051)","Jiang, C. H.","Kapoor, A. (ORCID:0000000218441504)","Liao, H. (ORCID:0000000201246999)","Liu, Z. -A. (ORCID:0000000228961386)","Monti, F. (ORCID:0000000158463655)","Shahzad, M. A.","Sharma, R. (ORCID:0000000311811426)","Song, J. N.","Tao, J. (ORCID:0000000320063490)","Wang, C.","Wang, J. (ORCID:0000000231031083)","Wang, Z.","Zhang, H. (ORCID:0000000188435209)","Agapitos, A. (ORCID:0000000289531232)","Ban, Y. (ORCID:0000000219120374)","Levin, A. (ORCID:0000000195654186)","Li, C. (ORCID:0000000263398154)","Li, Q. (ORCID:0000000282900517)","Mao, Y.","Qian, S. J. (ORCID:000000020630481X)","Sun, X. (ORCID:0000000344094574)","Wang, D. (ORCID:0000000290131199)","Yang, H.","Zhang, L. (ORCID:0000000179479007)","Zhou, C. (ORCID:0000000159047258)","You, Z. (ORCID:0000000183243291)","Lu, N. (ORCID:0000000226316770)","Gao, X. (ORCID:0000000172052318)","Leggat, D.","Okawa, H. (ORCID:0000000225486567)","Zhang, Y. (ORCID:0000000245542554)","Lin, Z. (ORCID:0000000318123474)","Lu, C. (ORCID:0000000274210313)","Xiao, M. (ORCID:0000000196289336)","Avila, C. (ORCID:0000000256102693)","Barbosa Trujillo, D. A.","Cabrera, A. (ORCID:0000000204866296)","Florez, C. (ORCID:0000000232220249)","Fraga, J. (ORCID:0000000251378543)","Reyes Vega, J. A.","Mejia Guisao, J. (ORCID:000000021153816X)","Ramirez, F. (ORCID:0000000271780484)","Rodriguez, M. (ORCID:000000029480213X)","Ruiz Alvarez, J. D. (ORCID:0000000233060363)","Giljanovic, D. (ORCID:0009000567926881)","Godinovic, N. (ORCID:0000000246749450)","Lelas, D. (ORCID:0000000282695760)","Sculac, A. (ORCID:0000000179387559)","Kovac, M. (ORCID:0000000223914599)","Sculac, T. (ORCID:0000000295784105)","Bargassa, P. (ORCID:0000000186123332)","Brigljevic, V. (ORCID:0000000158470062)","Chitroda, B. K. (ORCID:0000000202208441)","Ferencek, D. (ORCID:0000000191161202)","Mishra, S. (ORCID:0000000235104833)","Starodumov, A. (ORCID:0000000195709255)","Susa, T. (ORCID:0000000174302552)","Attikis, A. (ORCID:0000000244433794)","Christoforou, K. (ORCID:0000000322051100)","Konstantinou, S. (ORCID:0000000304087636)","Mousa, J. (ORCID:0000000229782718)","Nicolaou, C.","Ptochos, F. (ORCID:0000000234323452)","Razis, P. A. (ORCID:0000000248550162)","Rykaczewski, H.","Saka, H. (ORCID:0000000176162573)","Stepennov, A. (ORCID:0000000177476582)","Finger, M. (ORCID:0000000278289970)","Finger, M. (ORCID:0000000331552484)","Kveton, A. (ORCID:0000000181971914)","Ayala, E. (ORCID:0000000203639198)","Carrera Jarrin, E. (ORCID:0000000208578507)","Assran, Y.","Elgammal, S.","Abdullah Al-Mashad, M. (ORCID:0000000273223374)","Mahmoud, M. A. (ORCID:0000000186925458)","Dewanjee, R. K. (ORCID:0000000166456244)","Ehataht, K. (ORCID:0000000223874777)","Kadastik, M.","Lange, T. (ORCID:0000000162427331)","Nandan, S. (ORCID:0000000293808919)","Nielsen, C. (ORCID:0000000235328132)","Pata, J. (ORCID:0000000251915759)","Raidal, M. (ORCID:0000000170409491)","Tani, L. (ORCID:0000000265527255)","Veelken, C. (ORCID:000000023364916X)","Kirschenmann, H. (ORCID:0009000839062037)","Osterberg, K. (ORCID:0000000348070414)","Voutilainen, M. (ORCID:0000000252006477)","Bharthuar, S. (ORCID:0000000158719622)","Brücken, E. (ORCID:0000000160668756)","Garcia, F. (ORCID:0000000240237964)","Havukainen, J. (ORCID:0000000328986900)","Kallonen, K. T. S. (ORCID:0000000197697163)","Kim, M. S. (ORCID:0000000303928691)","Kinnunen, R.","Lampén, T. (ORCID:0000000283984249)","Lassila-Perini, K. (ORCID:0000000255021795)","Lehti, S. (ORCID:0000000313705598)","Lindén, T. (ORCID:0009000248478882)","Lotti, M.","Martikainen, L. (ORCID:0000000316093515)","Myllymäki, M. (ORCID:0000000305103810)","Rantanen, M. m. (ORCID:0000000267640016)","Siikonen, H. (ORCID:0000000320395874)","Tuominen, E. (ORCID:0000000270737767)","Tuominiemi, J. (ORCID:0000000303868633)","Luukka, P. (ORCID:0000000323404641)","Petrow, H. (ORCID:0000000211335485)","Tuuva, T.","Besancon, M. (ORCID:0000000332783671)","Couderc, F. (ORCID:0000000320404099)","Dejardin, M. (ORCID:000900082784615X)","Denegri, D.","Faure, J. L.","Ferri, F. (ORCID:000000029860101X)","Ganjour, S. (ORCID:0000000330909744)","Gras, P. (ORCID:0000000239325967)","Hamel de Monchenault, G. (ORCID:0000000238723592)","Lohezic, V. (ORCID:000900087976851X)","Malcles, J. (ORCID:0000000253885565)","Rander, J.","Rosowsky, A. (ORCID:0000000178036650)","Sahin, M. Ö. (ORCID:0000000164024050)","Savoy-Navarro, A. (ORCID:0000000294815168)","Simkina, P. (ORCID:000000029813372X)","Titov, M. (ORCID:0000000211196614)","Baldenegro Barrera, C. (ORCID:0000000260338885)","Beaudette, F. (ORCID:0000000211948556)","Buchot Perraguin, A. (ORCID:000000028597647X)","Busson, P. (ORCID:0000000160274511)","Cappati, A. (ORCID:0000000343860564)","Charlot, C. (ORCID:0000000240878155)","Damas, F. (ORCID:0000000167934359)","Davignon, O. (ORCID:000000018710992X)","De Wit, A. (ORCID:0000000252911661)","Falmagne, G. (ORCID:0000000267623937)","Fontana Santos Alves, B. A. (ORCID:0000000197520624)","Ghosh, S. (ORCID:0009000656925688)","Gilbert, A. (ORCID:0000000175605790)","Granier de Cassagnac, R. (ORCID:0000000212757292)","Hakimi, A. (ORCID:0009000820938131)","Harikrishnan, B. (ORCID:0000000301744020)","Kalipoliti, L. (ORCID:0000000257055059)","Liu, G. (ORCID:0000000170020937)","Motta, J. (ORCID:000000030985913X)","Nguyen, M. (ORCID:0000000173057102)","Ochando, C. (ORCID:0000000238361173)","Portales, L. (ORCID:0000000298609185)","Salerno, R. (ORCID:0000000337352707)","Sarkar, U. (ORCID:0000000298924601)","Sauvan, J. B. (ORCID:0000000151873571)","Sirois, Y. (ORCID:0000000153814807)","Tarabini, A. (ORCID:0000000170985317)","Vernazza, E. (ORCID:0000000349572782)","Zabi, A. (ORCID:0000000272140673)","Zghiche, A. (ORCID:0000000211781450)","Agram, J. -L. (ORCID:0000000174760158)","Andrea, J. (ORCID:0000000282987560)","Apparu, D. (ORCID:0009000418370496)","Bloch, D. (ORCID:0000000245355273)","Brom, J. -M. (ORCID:0000000302493622)","Chabert, E. C. (ORCID:0000000327977690)","Collard, C. (ORCID:0000000252308387)","Falke, S. (ORCID:0000000202641632)","Goerlach, U. (ORCID:0000000189551666)","Grimault, C.","Haeberle, R.","Le Bihan, A. -C. (ORCID:0000000285450187)","Sessini, M. A. (ORCID:0000000320977065)","Van Hove, P. (ORCID:0000000224313381)","Beauceron, S. (ORCID:0000000280369267)","Blancon, B. (ORCID:0000000190221509)","Boudoul, G. (ORCID:0009000298978439)","Chanon, N. (ORCID:0000000229395646)","Choi, J. (ORCID:0000000224835104)","Contardo, D. (ORCID:0000000167687466)","Depasse, P. (ORCID:0000000175562743)","Dozen, C. (ORCID:000000024301634X)","El Mamouni, H.","Fay, J. (ORCID:0000000157901780)","Gascon, S. (ORCID:0000000272041624)","Gouzevitch, M. (ORCID:000000025524880X)","Greenberg, C.","Grenier, G. (ORCID:0000000219765877)","Ille, B. (ORCID:0000000286793878)","Laktineh, I. B.","Lethuillier, M. (ORCID:0000000161852045)","Mirabito, L.","Perries, S.","Purohit, A. (ORCID:000000030881612X)","Vander Donckt, M. (ORCID:0000000292538611)","Verdier, P. (ORCID:0000000330902948)","Xiao, J. (ORCID:0000000278603958)","Khvedelidze, A. (ORCID:0000000259530140)","Lomidze, I. (ORCID:0009000239012765)","Tsamalaidze, Z. (ORCID:0000000153773558)","Botta, V. (ORCID:0000000316619513)","Feld, L. (ORCID:0000000198138646)","Klein, K. (ORCID:0000000215467880)","Lipinski, M. (ORCID:0000000268390063)","Meuser, D. (ORCID:0000000227227526)","Pauls, A. (ORCID:0000000281175376)","Röwert, N. (ORCID:0000000247455470)","Teroerde, M. (ORCID:0000000258921377)","Diekmann, S. (ORCID:0009000488670881)","Dodonova, A. (ORCID:0000000251158487)","Eich, N. (ORCID:0000000194944317)","Eliseev, D. (ORCID:0000000158448156)","Engelke, F. (ORCID:0000000292888144)","Erdmann, M. (ORCID:0000000216531303)","Fackeldey, P. (ORCID:0000000349327162)","Fischer, B. (ORCID:0000000239003482)","Hebbeker, T. (ORCID:000000029736266X)","Hoepfner, K. (ORCID:0000000220088148)","Ivone, F. (ORCID:0000000223885548)","Jung, A. (ORCID:0000000225111490)","Lee, M. y. (ORCID:0000000244301695)","Mastrolorenzo, L.","Merschmeyer, M. (ORCID:0000000320817141)","Meyer, A. (ORCID:0000000195986623)","Mukherjee, S. (ORCID:0000000163419982)","Noll, D. (ORCID:0000000201762360)","Novak, A. (ORCID:0000000203895896)","Nowotny, F.","Pozdnyakov, A. (ORCID:0000000334789081)","Rath, Y.","Redjeb, W. (ORCID:0000000197948292)","Rehm, F.","Reithler, H. (ORCID:000000034409702X)","Sarkisovi, V. (ORCID:0000000194305419)","Schmidt, A. (ORCID:0000000327118984)","Schuler, S. C.","Sharma, A. (ORCID:000000020688923X)","Stein, A. (ORCID:000000030713811X)","Torres Da Silva De Araujo, F. (ORCID:0000000247853057)","Vigilante, L.","Wiedenbeck, S. (ORCID:0000000246929304)","Zaleski, S.","Dziwok, C. (ORCID:0000000198060244)","Flügge, G. (ORCID:0000000336819272)","Haj Ahmad, W. (ORCID:0000000314910446)","Kress, T. (ORCID:0000000227028201)","Nowack, A. (ORCID:0000000235225926)","Pooth, O. (ORCID:0000000164456160)","Stahl, A. (ORCID:0000000283697506)","Ziemons, T. (ORCID:0000000316972130)","Zotz, A. (ORCID:0000000213201712)","Aarup Petersen, H. (ORCID:0009000564827466)","Aldaya Martin, M. (ORCID:0000000315330945)","Alimena, J. (ORCID:0000000160303191)","Amoroso, S.","An, Y. (ORCID:0000000312991879)","Baxter, S. (ORCID:0009000841916716)","Bayatmakou, M. (ORCID:0009000299050667)","Becerril Gonzalez, H. (ORCID:000000015387712X)","Behnke, O. (ORCID:0000000242380991)","Belvedere, A. (ORCID:0000000228028203)","Bhattacharya, S. (ORCID:0000000231970048)","Blekman, F. (ORCID:0000000273667098)","Borras, K. (ORCID:000000031111249X)","Brunner, D. (ORCID:0000000195180435)","Campbell, A. (ORCID:0000000344395748)","Cardini, A. (ORCID:0000000318030999)","Cheng, C.","Colombina, F. (ORCID:000900087130100X)","Consuegra Rodríguez, S. (ORCID:0000000213831837)","Correia Silva, G. (ORCID:0000000162323591)","De Silva, M. (ORCID:0000000258046226)","Eckerlin, G.","Eckstein, D. (ORCID:0000000273666562)","Estevez Banos, L. I. (ORCID:0000000161953102)","Filatov, O. (ORCID:0000000198506170)","Gallo, E. (ORCID:0000000172005175)","Geiser, A. (ORCID:000000030355102X)","Giraldi, A. (ORCID:0000000344232631)","Greau, G.","Guglielmi, V. (ORCID:0000000332407393)","Guthoff, M. (ORCID:000000023974589X)","Hinzmann, A. (ORCID:0000000226334696)","Jafari, A. (ORCID:0000000173271870)","Jeppe, L. (ORCID:0000000210290318)","Jomhari, N. Z. (ORCID:0000000191277408)","Kaech, B. (ORCID:0000000211942306)","Kasemann, M. (ORCID:0000000204292448)","Kaveh, H. (ORCID:0000000232735859)","Kleinwort, C. (ORCID:0000000290179504)","Kogler, R. (ORCID:0000000253364399)","Komm, M. (ORCID:0000000276694294)","Krücker, D. (ORCID:0000000316108844)","Lange, W.","Leyva Pernia, D. (ORCID:0009000987553698)","Lipka, K. (ORCID:0000000284273748)","Lohmann, W. (ORCID:0000000287050857)","Mankel, R. (ORCID:0000000323751563)","Melzer-Pellmann, I. -A. (ORCID:000000017707919X)","Mendizabal Morentin, M. (ORCID:0000000265065177)","Metwally, J.","Meyer, A. B. (ORCID:0000000185322356)","Milella, G. (ORCID:000000022047951X)","Mussgiller, A. (ORCID:0000000283318166)","Nürnberg, A. (ORCID:0000000278763134)","Otarid, Y.","Pérez Adán, D. (ORCID:0000000334160726)","Ranken, E. (ORCID:0000000174725029)","Raspereza, A. (ORCID:000000032167498X)","Ribeiro Lopes, B. (ORCID:000000030823447X)","Rübenach, J.","Saggio, A. (ORCID:0000000273853317)","Scham, M. (ORCID:0000000194942151)","Schnake, S. (ORCID:0000000334096584)","Schütze, P. (ORCID:0000000348026990)","Schwanenberger, C. (ORCID:0000000166996662)","Selivanova, D. (ORCID:0000000270319434)","Shchedrolosiev, M. (ORCID:0000000335102093)","Sosa Ricardo, R. E. (ORCID:0000000222406699)","Sreelatha Pramod, L. P. (ORCID:0000000223519265)","Stafford, D.","Vazzoler, F. (ORCID:0000000181119318)","Ventura Barroso, A. (ORCID:0000000332336636)","Walsh, R. (ORCID:0000000238724114)","Wang, Q. (ORCID:0000000338043244)","Wen, Y. (ORCID:0000000287249604)","Wichmann, K.","Wiens, L. (ORCID:0000000244234461)","Wissing, C. (ORCID:0000000250908004)","Wuchterl, S. (ORCID:0000000199559258)","Yang, Y. (ORCID:0009000934300558)","Zimermmane Castro Santos, A. (ORCID:0000000193023102)","Albrecht, A. (ORCID:0000000160046180)","Albrecht, S. (ORCID:0000000259606803)","Antonello, M. (ORCID:000000019094482X)","Bein, S. (ORCID:0000000193877407)","Benato, L. (ORCID:0000000151357489)","Bonanomi, M. (ORCID:0000000336296264)","Connor, P. (ORCID:0000000325001061)","Eich, M.","El Morabit, K. (ORCID:000000015886220X)","Fischer, Y. (ORCID:0000000231841457)","Fröhlich, A.","Garbers, C. (ORCID:0000000150942256)","Garutti, E. (ORCID:0000000306345539)","Grohsjean, A. (ORCID:0000000307488494)","Hajheidari, M.","Haller, J. (ORCID:0000000193477657)","Jabusch, H. R. (ORCID:0000000324441014)","Kasieczka, G. (ORCID:0000000334572755)","Keicher, P.","Klanner, R. (ORCID:0000000270049227)","Korcari, W. (ORCID:0000000180175502)","Kramer, T. (ORCID:0000000270040214)","Kutzner, V. (ORCID:0000000319853807)","Labe, F. (ORCID:0000000218709443)","Lange, J. (ORCID:0000000175136330)","Lobanov, A. (ORCID:0000000253760877)","Matthies, C. (ORCID:0000000173794540)","Mehta, A. (ORCID:0000000204334484)","Moureaux, L. (ORCID:0000000223109266)","Mrowietz, M.","Nigamova, A. (ORCID:0000000285228500)","Nissan, Y.","Paasch, A. (ORCID:0000000222085178)","Pena Rodriguez, K. J. (ORCID:0000000228779744)","Quadfasel, T. (ORCID:000000032360351X)","Raciti, B. (ORCID:0009000559956685)","Rieger, M. (ORCID:0000000307972606)","Savoiu, D. (ORCID:0000000167947475)","Schindler, J. (ORCID:0009000665510660)","Schleper, P. (ORCID:0000000156286827)","Schröder, M. (ORCID:0000000180589828)","Schwandt, J. (ORCID:000000020052597X)","Sommerhalder, M. (ORCID:0000000157467371)","Stadie, H. (ORCID:0000000205138119)","Steinbrück, G. (ORCID:0000000283552761)","Tews, A.","Wolf, M. (ORCID:0000000330022430)","Brommer, S. (ORCID:0000000189882035)","Burkart, M.","Butz, E. (ORCID:0000000224035801)","Chwalek, T. (ORCID:0000000280093723)","Dierlamm, A. (ORCID:0000000178049902)","Droll, A.","Faltermann, N. (ORCID:0000000165063107)","Giffels, M. (ORCID:0000000301933032)","Gottmann, A. (ORCID:000000016696349X)","Hartmann, F. (ORCID:0000000189898387)","Hofsaess, R. (ORCID:0009000845755729)","Horzela, M. (ORCID:0000000231907962)","Husemann, U. (ORCID:0000000261988388)","Klute, M. (ORCID:0000000208695631)","Koppenhöfer, R. (ORCID:0000000262565715)","Link, M.","Lintuluoto, A. (ORCID:0000000207261452)","Maier, S. (ORCID:0000000198289778)","Mitra, S. (ORCID:0000000230602278)","Mormile, M. (ORCID:0000000304567250)","Müller, Th (ORCID:0000000343370098)","Neukum, M.","Oh, M. (ORCID:0000000326189203)","Quast, G. (ORCID:0000000240214260)","Rabbertz, K. (ORCID:0000000170409846)","Regnery, B. (ORCID:000000031539923X)","Shadskiy, N. (ORCID:0000000198942095)","Shvetsov, I. (ORCID:0000000270699019)","Simonis, H. J. (ORCID:0000000274672980)","Trevisani, N. (ORCID:0000000252239342)","Ulrich, R. (ORCID:000000022535402X)","van der Linden, J. (ORCID:000000027174781X)","Von Cube, R. F. (ORCID:0000000262375209)","Wassmer, M. (ORCID:0000000204082811)","Wieland, S. (ORCID:0000000338875358)","Wittig, F.","Wolf, R. (ORCID:000000019456383X)","Wunsch, S.","Zuo, X. (ORCID:000000020029493X)","Anagnostou, G.","Assiouras, P. (ORCID:0000000251529006)","Daskalakis, G. (ORCID:0000000160707698)","Kyriakis, A.","Papadopoulos, A.","Stakia, A. (ORCID:0000000162777171)","Kontaxakis, P. (ORCID:0000000248605979)","Melachroinos, G.","Panagiotou, A.","Papavergou, I. (ORCID:0000000279922686)","Paraskevas, I. (ORCID:0000000223755401)","Saoulidou, N. (ORCID:0000000169584196)","Theofilatos, K. (ORCID:000000018448883X)","Tziaferi, E. (ORCID:0000000349580408)","Vellidis, K. (ORCID:0000000156808357)","Zisopoulos, I. (ORCID:0000000152124353)","Bakas, G. (ORCID:0000000302871937)","Chatzistavrou, T.","Karapostoli, G. (ORCID:0000000242802541)","Kousouris, K. (ORCID:0000000263600869)","Papakrivopoulos, I. (ORCID:0000000284400487)","Siamarkou, E.","Tsipolitis, G.","Zacharopoulou, A.","Adamidis, K.","Bestintzanos, I.","Evangelou, I. (ORCID:0000000259035481)","Foudas, C.","Gianneios, P. (ORCID:0009000372330738)","Kamtsikis, C.","Katsoulis, P.","Kokkas, P. (ORCID:0009000937526253)","Kosmoglou Kioseoglou, P. G. (ORCID:0000000274404396)","Manthos, N. (ORCID:0000000332478909)","Papadopoulos, I. (ORCID:0000000299373063)","Strologas, J. (ORCID:0000000222257160)","Csanád, M. (ORCID:0000000231546925)","Farkas, K. (ORCID:0000000317406974)","Gadallah, M. M. A. (ORCID:0000000283056661)","Kadlecsik, Á. (ORCID:0000000155590106)","Major, P. (ORCID:0000000254760414)","Mandal, K. (ORCID:0000000239667182)","Pásztor, G. (ORCID:0000000307079762)","Rádl, A. J. (ORCID:0000000188100388)","Veres, G. I. (ORCID:0000000254404356)","Bartók, M. (ORCID:0000000244402701)","Hajdu, C. (ORCID:000000027193800X)","Horvath, D. (ORCID:000000030091477X)","Sikler, F. (ORCID:0000000196083901)","Veszpremi, V. (ORCID:0000000197830315)","Raics, P.","Ujvari, B. (ORCID:0000000304984265)","Zilizi, G. (ORCID:0000000204800000)","Bencze, G.","Czellar, S.","Karancsi, J. (ORCID:0000000308027665)","Molnar, J.","Szillasi, Z.","Csorgo, T. (ORCID:0000000291109663)","Nemes, F. (ORCID:0000000214516484)","Novak, T. (ORCID:0000000162534356)","Babbar, J. (ORCID:0000000240804156)","Bansal, S. (ORCID:0000000319920336)","Beri, S. B.","Bhatnagar, V. (ORCID:0000000283929610)","Chaudhary, G. (ORCID:0000000301683336)","Chauhan, S. (ORCID:0000000169744129)","Dhingra, N. (ORCID:0000000272006204)","Gupta, R.","Kaur, A. (ORCID:0000000336094777)","Kaur, A. (ORCID:0000000216409180)","Kaur, H. (ORCID:0000000286597092)","Kaur, M. (ORCID:0000000234402767)","Kumar, S. (ORCID:0000000192129108)","Meena, M. (ORCID:0000000345363967)","Sandeep, K. (ORCID:0000000232203668)","Sheokand, T.","Singh, J. B. (ORCID:0000000190292462)","Singla, A. (ORCID:000000032550139X)","Ahmed, A. (ORCID:0000000245008853)","Bhardwaj, A. (ORCID:0000000275443258)","Chhetri, A. (ORCID:0000000174951923)","Choudhary, B. C. (ORCID:0000000150291887)","Kumar, A. (ORCID:0000000334074094)","Naimuddin, M. (ORCID:000000034542386X)","Ranjan, K. (ORCID:0000000255403750)","Saumya, S. (ORCID:0000000178429518)","Acharya, S.","Baradia, S. (ORCID:0000000198607262)","Barman, S. (ORCID:0000000188911674)","Bhattacharya, S. (ORCID:0000000281104957)","Bhowmik, D.","Dutta, S. (ORCID:0000000196508121)","Dutta, S.","Gomber, B. (ORCID:0000000244460258)","Palit, P. (ORCID:000000021948029X)","Saha, G. (ORCID:0000000261251941)","Sahu, B. (ORCID:0000000280735140)","Sarkar, S.","Ameen, M. M. (ORCID:0000000219099843)","Behera, P. K. (ORCID:0000000215272266)","Behera, S. C. (ORCID:0000000207982727)","Chatterjee, S. (ORCID:0000000326600349)","Jana, P. (ORCID:0000000153105170)","Kalbhor, P. (ORCID:0000000258923743)","Komaragiri, J. R. (ORCID:0000000293446655)","Kumar, D. (ORCID:0000000266365331)","Panwar, L. (ORCID:0000000324614907)","Pradhan, R. (ORCID:0000000170006510)","Pujahari, P. R. (ORCID:0000000209947212)","Saha, N. R. (ORCID:0000000279547898)","Sharma, A. (ORCID:0000000298601650)","Sikdar, A. K. (ORCID:0000000254375217)","Verma, S. (ORCID:0000000311636955)","Aziz, T.","Das, I. (ORCID:0000000254372067)","Dugad, S.","Kumar, M. (ORCID:000000030312057X)","Mohanty, G. B. (ORCID:0000000168507666)","Suryadevara, P.","Bala, A. (ORCID:0000000325651718)","Banerjee, S. (ORCID:0000000279534683)","Chatterjee, R. M.","Guchait, M. (ORCID:0009000409287922)","Jain, Sh (ORCID:0000000317705309)","Karmakar, S. (ORCID:0000000197155663)","Kumar, S. (ORCID:000000022405915X)","Majumder, G. (ORCID:0000000238155222)","Mazumdar, K. (ORCID:0000000331361653)","Mukherjee, S. (ORCID:0000000331220594)","Parolia, S. (ORCID:0000000295662490)","Thachayath, A. (ORCID:0000000165450350)","Bahinipati, S. (ORCID:0000000237445332)","Das, A. K.","Kar, C. (ORCID:0000000264076974)","Maity, D. (ORCID:0000000219896703)","Mal, P. (ORCID:0000000208708420)","Mishra, T. (ORCID:0000000221213932)","Muraleedharan Nair Bindhu, V. K. (ORCID:000000034671815X)","Naskar, K. (ORCID:0000000306384378)","Nayak, A. (ORCID:0000000277164981)","Sadangi, P.","Saha, P. (ORCID:0000000270138094)","Swain, S. K. (ORCID:0000000168713937)","Varghese, S. (ORCID:0009000013188266)","Vats, D. (ORCID:0009000782244664)","Alpana, A. (ORCID:0000000332942345)","Dube, S. (ORCID:0000000251453777)","Kansal, B. (ORCID:0000000266041011)","Laha, A. (ORCID:0000000194407028)","Rastogi, A. (ORCID:0000000312456710)","Sharma, S. (ORCID:0000000168860726)","Bakhshiansohi, H. (ORCID:0000000157413357)","Khazaie, E. (ORCID:0000000198107743)","Zeinali, M. (ORCID:0000000183676257)","Chenarani, S. (ORCID:000000021425076X)","Etesami, S. M. (ORCID:0000000165014137)","Khakzad, M. (ORCID:0000000222125715)","Mohammadi Najafabadi, M. (ORCID:0000000161315987)","Grunewald, M. (ORCID:0000000257540388)","Abbrescia, M. (ORCID:0000000187277544)","Aly, R. (ORCID:0000000168081335)","Colaleo, A. (ORCID:0000000207116319)","Creanza, D. (ORCID:0000000161533044)","D‘ Anzi, B. (ORCID:0000000293613142)","De Filippis, N. (ORCID:0000000206256811)","De Palma, M. (ORCID:0000000182401913)","Di Florio, A. (ORCID:0000000337198041)","Elmetenawee, W. (ORCID:0000000170690252)","Fiore, L. (ORCID:0000000294701320)","Iaselli, G. (ORCID:0000000325465341)","Maggi, G. (ORCID:0000000153917689)","Maggi, M. (ORCID:0000000284313922)","Margjeka, I. (ORCID:0000000231983025)","Mastrapasqua, V. (ORCID:0000000290825924)","My, S. (ORCID:0000000299382680)","Nuzzo, S. (ORCID:0000000310896317)","Pellecchia, A. (ORCID:0000000332796114)","Pompili, A. (ORCID:0000000312914005)","Pugliese, G. (ORCID:0000000154602638)","Radogna, R. (ORCID:0000000210945038)","Ramirez-Sanchez, G. (ORCID:0000000178045514)","Ramos, D. (ORCID:0000000271651017)","Ranieri, A. (ORCID:0000000179124062)","Silvestris, L. (ORCID:0000000289854891)","Simone, F. M. (ORCID:000000021924983X)","Sözbilir, Ü. (ORCID:0000000168333758)","Stamerra, A. (ORCID:0000000314341968)","Venditti, R. (ORCID:0000000169258649)","Verwilligen, P. (ORCID:0000000292858631)","Zaza, A. (ORCID:0000000209697284)","Abbiendi, G. (ORCID:0000000344997562)","Battilana, C. (ORCID:0000000237533068)","Borgonovi, L. (ORCID:0000000186794443)","Campanini, R. (ORCID:0000000227440597)","Capiluppi, P. (ORCID:0000000344851897)","Castro, A. (ORCID:0000000325270456)","Cavallo, F. R. (ORCID:0000000203267515)","Cuffiani, M. (ORCID:0000000325105039)","Dallavalle, G. M. (ORCID:0000000286140420)","Diotalevi, T. (ORCID:0000000307808785)","Fabbri, F. (ORCID:0000000284469660)","Fanfani, A. (ORCID:0000000322564117)","Fasanella, D. (ORCID:0000000229262691)","Giacomelli, P. (ORCID:0000000263687220)","Giommi, L. (ORCID:0000000335394313)","Grandi, C. (ORCID:0000000159983070)","Guiducci, L. (ORCID:0000000260138293)","Lo Meo, S. (ORCID:0000000332499208)","Lunerti, L. (ORCID:0000000289320283)","Marcellini, S. (ORCID:0000000212338100)","Masetti, G. (ORCID:000000026377800X)","Navarria, F. L. (ORCID:0000000179614889)","Perrotta, A. (ORCID:0000000279967139)","Primavera, F. (ORCID:0000000162538656)","Rossi, A. M. (ORCID:0000000259731305)","Rovelli, T. (ORCID:0000000297464842)","Siroli, G. P. (ORCID:0000000235284125)","Costa, S. (ORCID:0000000199190569)","Di Mattia, A. (ORCID:000000029964015X)","Potenza, R.","Tricomi, A. (ORCID:0000000250715501)","Tuve, C. (ORCID:0000000307393153)","Barbagli, G. (ORCID:0000000217388676)","Bardelli, G. (ORCID:0000000246623305)","Camaiani, B. (ORCID:000000026396622X)","Cassese, A. (ORCID:0000000330104516)","Ceccarelli, R. (ORCID:0000000332329380)","Ciulli, V. (ORCID:0000000319473396)","Civinini, C. (ORCID:0000000249523799)","D’Alessandro, R. (ORCID:0000000179970306)","Focardi, E. (ORCID:0000000237635267)","Kello, T.","Latino, G. (ORCID:0000000240983502)","Lenzi, P. (ORCID:0000000269278807)","Lizzo, M. (ORCID:0000000172972624)","Meschini, M. (ORCID:0000000291613990)","Paoletti, S. (ORCID:0000000335929509)","Papanastassiou, A.","Sguazzoni, G. (ORCID:0000000207913350)","Viliani, L. (ORCID:0000000219096343)","Benussi, L. (ORCID:0000000223638889)","Bianco, S. (ORCID:0000000283004124)","Meola, S. (ORCID:0000000282337277)","Piccolo, D. (ORCID:000000015404543X)","Chatagnon, P. (ORCID:0000000247059582)","Ferro, F. (ORCID:0000000276630805)","Robutti, E. (ORCID:0000000190384500)","Tosi, S. (ORCID:0000000272759193)","Benaglia, A. (ORCID:0000000311248450)","Boldrini, G. (ORCID:000000015490605X)","Brivio, F. (ORCID:0000000195236451)","Cetorelli, F. (ORCID:0000000230611553)","De Guio, F. (ORCID:0000000159278865)","Dinardo, M. E. (ORCID:0000000285757250)","Dini, P. (ORCID:0000000173754899)","Gennai, S. (ORCID:0000000152698517)","Gerosa, R. (ORCID:0000000183593734)","Ghezzi, A. (ORCID:0000000281847953)","Govoni, P. (ORCID:0000000202271301)","Guzzi, L. (ORCID:0000000230868260)","Lucchini, M. T. (ORCID:0000000274977450)","Malberti, M. (ORCID:0000000167948419)","Malvezzi, S. (ORCID:0000000202184910)","Massironi, A. (ORCID:0000000207820883)","Menasce, D. (ORCID:0000000299181686)","Moroni, L. (ORCID:000000028387762X)","Paganoni, M. (ORCID:000000032461275X)","Pedrini, D. (ORCID:0000000324144175)","Pinolini, B. S.","Ragazzi, S. (ORCID:0000000182192074)","Tabarelli de Fatis, T. (ORCID:0000000162624685)","Zuolo, D. (ORCID:0000000330721020)","Buontempo, S. (ORCID:000000019526556X)","Cagnotta, A. (ORCID:0000000288019894)","Carnevali, F.","Cavallo, N. (ORCID:0000000313279058)","De Iorio, A. (ORCID:0000000292581345)","Fabozzi, F. (ORCID:0000000198214151)","Iorio, A. O. M. (ORCID:0000000237981135)","Lista, L. (ORCID:0000000164715492)","Paolucci, P. (ORCID:0000000287734781)","Rossi, B. (ORCID:0000000208078772)","Sciacca, C. (ORCID:0000000284124072)","Ardino, R. (ORCID:0000000183482962)","Azzi, P. (ORCID:000000023129828X)","Bacchetta, N. (ORCID:0000000222055737)","Bisello, D. (ORCID:0000000223598477)","Bortignon, P. (ORCID:0000000253601454)","Bragagnolo, A. (ORCID:0000000334742099)","Carlin, R. (ORCID:0000000179151650)","Checchia, P. (ORCID:0000000283121531)","Dorigo, T. (ORCID:0000000216598727)","Fantinel, S. (ORCID:0000000200798708)","Fanzago, F. (ORCID:0000000303365729)","Gasparini, U. (ORCID:0000000272532669)","Grosso, G.","Layer, L.","Lusiani, E. (ORCID:0000000187917978)","Margoni, M. (ORCID:0000000317974330)","Migliorini, M. (ORCID:0000000254417755)","Pazzini, J. (ORCID:0000000211186205)","Ronchese, P. (ORCID:0000000170022051)","Rossin, R. (ORCID:0000000334667500)","Simonetto, F. (ORCID:0000000282792464)","Strong, G. (ORCID:0000000246406108)","Tosi, M. (ORCID:0000000340501769)","Triossi, A. (ORCID:0000000151409154)","Ventura, S. (ORCID:0000000289382193)","Yarar, H.","Zanetti, M. (ORCID:0000000342814582)","Zotto, P. (ORCID:0000000339535996)","Zucchetta, A. (ORCID:0000000303801172)","Zumerle, G. (ORCID:0000000330752679)","Abu Zeid, S. (ORCID:0000000208200483)","Aimè, C. (ORCID:0000000304494717)","Braghieri, A. (ORCID:0000000296065604)","Calzaferri, S. (ORCID:0000000211622505)","Fiorina, D. (ORCID:000000027104257X)","Montagna, P. (ORCID:0000000196479420)","Re, V. (ORCID:0000000306973420)","Riccardi, C. (ORCID:0000000301653962)","Salvini, P. (ORCID:0000000192077256)","Vai, I. (ORCID:0000000300375032)","Vitulo, P. (ORCID:0000000192477778)","Ajmal, S. (ORCID:0000000227262858)","Asenov, P. (ORCID:0000000323799903)","Bilei, G. M. (ORCID:0000000241599123)","Ciangottini, D. (ORCID:0000000208434108)","Fanò, L. (ORCID:000000029007629X)","Magherini, M. (ORCID:0000000341083925)","Mantovani, G.","Mariani, V. (ORCID:0000000171088116)","Menichelli, M. (ORCID:000000029004735X)","Moscatelli, F. (ORCID:0000000276763106)","Piccinelli, A. (ORCID:0000000303860527)","Presilla, M. (ORCID:0000000328087315)","Rossi, A. (ORCID:0000000220312955)","Santocchia, A. (ORCID:0000000297702249)","Spiga, D. (ORCID:0000000229916384)","Tedeschi, T. (ORCID:0000000271252905)","Azzurri, P. (ORCID:0000000217175654)","Bagliesi, G. (ORCID:0000000342981620)","Bhattacharya, R. (ORCID:0000000275758639)","Bianchini, L. (ORCID:0000000265986865)","Boccali, T. (ORCID:0000000299309299)","Bossini, E. (ORCID:0000000223032588)","Bruschini, D. (ORCID:0000000172482967)","Castaldi, R. (ORCID:000000030146845X)","Ciocci, M. A. (ORCID:0000000300025462)","Cipriani, M. (ORCID:0000000201514439)","D’Amante, V. (ORCID:0000000273422592)","Dell’Orso, R. (ORCID:0000000314149343)","Donato, S. (ORCID:0000000176464977)","Giassi, A. (ORCID:0000000194282296)","Ligabue, F. (ORCID:0000000215497107)","Matos Figueiredo, D. (ORCID:0000000325146930)","Messineo, A. (ORCID:0000000175515613)","Musich, M. (ORCID:0000000179385684)","Palla, F. (ORCID:000000026361438X)","Rizzi, A. (ORCID:0000000245432718)","Rolandi, G. (ORCID:000000020635274X)","Roy Chowdhury, S. (ORCID:0000000157425593)","Sarkar, T. (ORCID:0000000305824167)","Scribano, A. (ORCID:0000000243386332)","Spagnolo, P. (ORCID:0000000179625203)","Tenchini, R. (ORCID:0000000325744383)","Tonelli, G. (ORCID:0000000326069156)","Turini, N. (ORCID:0000000293955230)","Venturi, A. (ORCID:0000000202494142)","Verdini, P. G. (ORCID:0000000200429507)","Barria, P. (ORCID:0000000239247380)","Campana, M. (ORCID:000000015425723X)","Cavallari, F. (ORCID:0000000210613877)","Cunqueiro Mendez, L. (ORCID:0000000167645370)","Del Re, D. (ORCID:0000000308705796)","Di Marco, E. (ORCID:0000000259202438)","Diemoz, M. (ORCID:0000000238108530)","Errico, F. (ORCID:000000018199370X)","Longo, E. (ORCID:0000000162386787)","Meridiani, P. (ORCID:0000000284802259)","Mijuskovic, J. (ORCID:0009000915899980)","Organtini, G. (ORCID:0000000232290781)","Pandolfi, F. (ORCID:0000000187133874)","Paramatti, R. (ORCID:0000000200809550)","Quaranta, C. (ORCID:0000000200426891)","Rahatlou, S. (ORCID:0000000197943360)","Rovelli, C. (ORCID:0000000321737530)","Santanastasio, F. (ORCID:0000000325058359)","Soffi, L. (ORCID:0000000325329876)","Amapane, N. (ORCID:0000000194492509)","Arcidiacono, R. (ORCID:000000015904142X)","Argiro, S. (ORCID:0000000321503750)","Arneodo, M. (ORCID:0000000277907132)","Bartosik, N. (ORCID:0000000271962237)","Bellan, R. (ORCID:0000000225392376)","Bellora, A. (ORCID:0000000227535473)","Biino, C. (ORCID:0000000213977246)","Cartiglia, N. (ORCID:0000000205489189)","Costa, M. (ORCID:0000000301560790)","Covarelli, R. (ORCID:0000000312165235)","Demaria, N. (ORCID:0000000307439465)","Finco, L. (ORCID:0000000226305465)","Grippo, M. (ORCID:000000030770269X)","Kiani, B. (ORCID:0000000212027652)","Legger, F. (ORCID:0000000314000709)","Luongo, F. (ORCID:0000000327434119)","Mariotti, C. (ORCID:0000000268643294)","Maselli, S. (ORCID:0000000198717859)","Mecca, A. (ORCID:0000000322092527)","Migliore, E. (ORCID:0000000222715192)","Monteno, M. (ORCID:0000000235216333)","Mulargia, R. (ORCID:000000032437013X)","Obertino, M. M. (ORCID:0000000287818192)","Ortona, G. (ORCID:0000000184112971)","Pacher, L. (ORCID:0000000312884838)","Pastrone, N. (ORCID:0000000172911979)","Pelliccioni, M. (ORCID:0000000347286678)","Ruspa, M. (ORCID:0000000276553475)","Siviero, F. (ORCID:0000000244274076)","Sola, V. (ORCID:000000016288951X)","Solano, A. (ORCID:0000000229718214)","Soldi, D. (ORCID:0000000190594831)","Staiano, A. (ORCID:000000031803624X)","Tarricone, C. (ORCID:0000000162330513)","Tornago, M. (ORCID:0000000167681056)","Trocino, D. (ORCID:0000000228305872)","Umoret, G. (ORCID:0000000266747874)","Vlasov, E. (ORCID:0000000286282090)","Belforte, S. (ORCID:0000000184434460)","Candelise, V. (ORCID:0000000236415983)","Casarsa, M. (ORCID:0000000213538964)","Cossutti, F. (ORCID:000000015672214X)","De Leo, K. (ORCID:000000028908409X)","Della Ricca, G. (ORCID:0000000328316982)","Dogra, S. (ORCID:0000000208120758)","Hong, J. (ORCID:0000000294634922)","Huh, C. (ORCID:0000000285132824)","Kim, B. (ORCID:0000000295396815)","Kim, D. H. (ORCID:0000000290236847)","Kim, J.","Lee, H.","Lee, S. W. (ORCID:0000000233888339)","Moon, C. S. (ORCID:0000000182297829)","Oh, Y. D. (ORCID:0000000272199931)","Ryu, M. S. (ORCID:000000021855180X)","Sekmen, S. (ORCID:0000000317265681)","Yang, Y. C. (ORCID:0000000310094621)","Bak, G. (ORCID:0000000200958185)","Gwak, P. (ORCID:0009000973471480)","Kim, H. (ORCID:0000000349861728)","Moon, D. H. (ORCID:0000000256289187)","Asilar, E. (ORCID:000000015680599X)","Kim, D. (ORCID:0000000283369182)","Kim, T. J. (ORCID:0000000183362434)","Merlin, J. A.","Park, J. (ORCID:0000000246836669)","Choi, S. (ORCID:0000000162259876)","Han, S.","Hong, B. (ORCID:0000000222599929)","Lee, K.","Lee, K. S. (ORCID:0000000236807039)","Lee, S. (ORCID:0000000192579643)","Park, J.","Park, S. K.","Yoo, J. (ORCID:0000000238261332)","Goh, J. (ORCID:0000000211292083)","Kim, H. S. (ORCID:0000000265439191)","Kim, Y.","Lee, S.","Almond, J.","Bhyun, J. H.","Choi, J. (ORCID:0000000260240992)","Jun, W. (ORCID:0009000151224552)","Kim, J. (ORCID:0000000198766642)","Kim, J. S.","Ko, S. (ORCID:0000000343779969)","Kwon, H. (ORCID:0009000251655018)","Lee, H. (ORCID:0000000211383700)","Lee, J. (ORCID:0000000253517201)","Lee, J. (ORCID:0000000167533731)","Oh, B. H. (ORCID:0000000295397789)","Oh, S. B. (ORCID:0000000307104956)","Seo, H. (ORCID:0000000239320605)","Yang, U. K.","Yoon, I. (ORCID:0000000234918026)","Jang, W. (ORCID:0000000215719072)","Kang, D. Y.","Kang, Y. (ORCID:0000000160793434)","Kim, S. (ORCID:0000000280157379)","Ko, B.","Lee, J. S. H. (ORCID:0000000221531519)","Lee, Y. (ORCID:0000000169549964)","Park, I. C. (ORCID:0000000345106776)","Roh, Y.","Watson, I. J. (ORCID:0000000321413413)","Yang, S. (ORCID:0000000169056553)","Ha, S. (ORCID:0000000325381551)","Yoo, H. D. (ORCID:0000000238923500)","Choi, M. (ORCID:000000024811626X)","Kim, M. R. (ORCID:0000000222892527)","Lee, H.","Lee, Y. (ORCID:0000000155725947)","Yu, I. (ORCID:0000000315675548)","Beyrouthy, T.","Maghrbi, Y. (ORCID:0000000249607458)","Dreimanis, K. (ORCID:0000000309725641)","Gaile, A. (ORCID:0000000313503523)","Pikurs, G.","Potrebko, A. (ORCID:0000000237768270)","Seidel, M. (ORCID:0000000335506151)","Veckalns, V. (ORCID:0000000336769711)","Strautnieks, N. R. (ORCID:0000000345409048)","Ambrozas, M. (ORCID:0000000324490158)","Juodagalvis, A. (ORCID:0000000215013328)","Rinkevicius, A. (ORCID:000000027510255X)","Tamulaitis, G. (ORCID:0000000229139634)","Bin Norjoharuddeen, N. (ORCID:0000000288187476)","Yusuff, I. (ORCID:0000000327860732)","Zolkapli, Z.","Benitez, J. F. (ORCID:0000000226336712)","Castaneda Hernandez, A. (ORCID:0000000347661546)","Encinas Acosta, H. A.","Gallegos Maríñez, L. G.","León Coello, M. (ORCID:000000023761911X)","Murillo Quijada, J. A. (ORCID:0000000349332092)","Sehrawat, A. (ORCID:0000000268167814)","Valencia Palomo, L. (ORCID:000000028736440X)","Ayala, G. (ORCID:0000000282948692)","Castilla-Valdez, H. (ORCID:0009000595909958)","De La Cruz-Burelo, E. (ORCID:0000000274696974)","Heredia-De La Cruz, I. (ORCID:0000000281336467)","Lopez-Fernandez, R. (ORCID:0000000223894831)","Mondragon Herrera, C. A.","Sánchez Hernández, A. (ORCID:0000000195480358)","Oropeza Barrera, C. (ORCID:0000000197240016)","Ramírez García, M. (ORCID:0000000245643822)","Bautista, I. (ORCID:0000000158733088)","Pedraza, I. (ORCID:0000000226694659)","Salazar Ibarguen, H. A. (ORCID:0000000345567302)","Uribe Estrada, C. (ORCID:0000000224257340)","Bubanja, I.","Raicevic, N. (ORCID:0000000223862290)","Butler, P. H. (ORCID:0000000198782140)","Ahmad, A. (ORCID:0000000247701897)","Asghar, M. I.","Awais, A. (ORCID:000000033563257X)","Awan, M. I. M.","Hoorani, H. R. (ORCID:0000000200885043)","Khan, W. A. (ORCID:0000000304880941)","Avati, V.","Grzanka, L. (ORCID:000000023599854X)","Malawski, M. (ORCID:0000000160050243)","Bialkowska, H. (ORCID:0000000259566258)","Bluj, M. (ORCID:0000000312291442)","Boimska, B. (ORCID:0000000242001541)","Górski, M. (ORCID:000000032146187X)","Kazana, M. (ORCID:0000000278213036)","Szleper, M. (ORCID:000000021697004X)","Zalewski, P. (ORCID:0000000344292888)","Bunkowski, K. (ORCID:0000000163719336)","Doroba, K. (ORCID:0000000278182364)","Kalinowski, A. (ORCID:0000000212805493)","Konecki, M. (ORCID:0000000194824841)","Krolikowski, J. (ORCID:0000000230550236)","Muhammad, A. (ORCID:0000000275357149)","Araujo, M. (ORCID:0000000281523756)","Bastos, D. (ORCID:0000000270322481)","Beirão Da Cruz E Silva, C. (ORCID:0000000212313819)","Boletti, A. (ORCID:0000000332887737)","Bozzo, M. (ORCID:0000000217150457)","Faccioli, P. (ORCID:0000000318496692)","Gallinaro, M. (ORCID:0000000312612277)","Hollar, J. (ORCID:0000000286640134)","Leonardo, N. (ORCID:0000000297464594)","Niknejad, T. (ORCID:0000000332769482)","Petrilli, A. (ORCID:0000000308871882)","Pisano, M. (ORCID:0000000202647217)","Seixas, J. (ORCID:0000000275310842)","Varela, J. (ORCID:0000000326133146)","Wulff, J. W.","Adzic, P. (ORCID:0000000258627397)","Milenovic, P. (ORCID:0000000171323550)","Dordevic, M. (ORCID:0000000284073236)","Milosevic, J. (ORCID:0000000184864604)","Rekovic, V.","Aguilar-Benitez, M.","Alcaraz Maestre, J. (ORCID:0000000309147474)","Bedoya, Cristina F. (ORCID:0000000180579152)","Cepeda, M. (ORCID:0000000260764083)","Cerrada, M. (ORCID:0000000301121691)","Colino, N. (ORCID:0000000236560259)","De La Cruz, B. (ORCID:0000000190575614)","Delgado Peris, A. (ORCID:0000000285117958)","Fernández Del Val, D. (ORCID:0000000323461590)","Fernández Ramos, J. P. (ORCID:000000020122313X)","Flix, J. (ORCID:0000000326888047)","Fouz, M. C. (ORCID:000000032950976X)","Gonzalez Lopez, O. (ORCID:0000000245326464)","Goy Lopez, S. (ORCID:0000000165085090)","Hernandez, J. M. (ORCID:0000000164367547)","Josa, M. I. (ORCID:0000000249856964)","León Holgado, J. (ORCID:0000000241566460)","Moran, D. (ORCID:0000000219419333)","Morcillo Perez, C. M. (ORCID:000000019634848X)","Navarro Tobar, Á. (ORCID:0000000336061780)","Perez Dengra, C. (ORCID:0000000328214249)","Pérez-Calero Yzquierdo, A. (ORCID:0000000330367965)","Puerta Pelayo, J. (ORCID:0000000173901457)","Redondo, I. (ORCID:0000000337374121)","Redondo Ferrero, D. D. (ORCID:0000000234630559)","Romero, L.","Sánchez Navas, S. (ORCID:0000000161299059)","Urda Gómez, L. (ORCID:0000000278655010)","Vazquez Escobar, J. (ORCID:0000000275332283)","Willmott, C.","de Trocóniz, J. F. (ORCID:0000000207989806)","Alvarez Gonzalez, B. (ORCID:0000000177674810)","Cuevas, J. (ORCID:0000000150800821)","Fernandez Menendez, J. (ORCID:0000000252133708)","Folgueras, S. (ORCID:0000000171911125)","Gonzalez Caballero, I. (ORCID:0000000280873199)","González Fernández, J. R. (ORCID:0000000248258188)","Palencia Cortezon, E. (ORCID:0000000182640287)","Ramón Álvarez, C. (ORCID:0000000311750002)","Rodríguez Bouza, V. (ORCID:0000000272257310)","Soto Rodríguez, A. (ORCID:0000000229938663)","Trapote, A. (ORCID:0000000240302551)","Vico Villalba, C. (ORCID:0000000219051874)","Vischia, P. (ORCID:0000000270888557)","Bhowmik, S. (ORCID:000000031260973X)","Blanco Fernández, S. (ORCID:0000000173010670)","Brochero Cifuentes, J. A. (ORCID:0000000320937856)","Cabrillo, I. J. (ORCID:0000000203674022)","Calderon, A. (ORCID:0000000272052040)","Duarte Campderros, J. (ORCID:0000000250767096)","Fernandez, M. (ORCID:0000000248241087)","Fernandez Madrazo, C. (ORCID:0000000197484336)","Gomez, G. (ORCID:0000000210776553)","Lasaosa García, C. (ORCID:0000000327267111)","Martinez Rivero, C. (ORCID:000000023224956X)","Martinez Ruiz del Arbol, P. (ORCID:0000000277375121)","Matorras, F. (ORCID:0000000342955668)","Matorras Cuevas, P. (ORCID:0000000174817273)","Navarrete Ramos, E. (ORCID:0000000251804020)","Piedra Gomez, J. (ORCID:0000000291571700)","Scodellaro, L. (ORCID:0000000249748330)","Vila, I. (ORCID:0000000267977209)","Vizan Garcia, J. M. (ORCID:0000000268238854)","Jayananda, M. K. (ORCID:000000027577310X)","Kailasapathy, B. (ORCID:0000000324241303)","Sonnadara, D. U. J. (ORCID:0000000178622537)","Wickramarathna, D. D. C. (ORCID:0000000269418478)","Dharmaratna, W. G. D. (ORCID:000000026366837X)","Liyanage, K. (ORCID:0000000237927665)","Perera, N. (ORCID:0000000247479106)","Wickramage, N. (ORCID:0000000177603537)","Abbaneo, D. (ORCID:0000000194161742)","Amendola, C. (ORCID:000000024359836X)","Auffray, E. (ORCID:0000000185401097)","Auzinger, G. (ORCID:0000000170778262)","Baechler, J.","Barney, D. (ORCID:0000000249274921)","Bermúdez Martínez, A. (ORCID:0000000188224727)","Bianco, M. (ORCID:0000000283363282)","Bilin, B. (ORCID:0000000314397128)","Bin Anuar, A. A. (ORCID:0000000229889830)","Bocci, A. (ORCID:0000000265155666)","Brondolin, E. (ORCID:000000015420586X)","Caillol, C. (ORCID:0000000256423040)","Camporesi, T. (ORCID:0000000150661876)","Cerminara, G. (ORCID:0000000228975753)","Chernyavskaya, N. (ORCID:0000000222642229)","d’Enterria, D. (ORCID:0000000257544303)","Dabrowski, A. (ORCID:0000000325709676)","David, A. (ORCID:0000000158547699)","De Roeck, A. (ORCID:0000000292285271)","Defranchis, M. M. (ORCID:0000000195733714)","Deile, M. (ORCID:0000000150857270)","Dobson, M. (ORCID:0009000750213230)","Fallavollita, F.","Forthomme, L. (ORCID:000000023302336X)","Franzoni, G. (ORCID:0000000191794253)","Funk, W. (ORCID:0000000304226739)","Giani, S.","Gigi, D.","Gill, K. (ORCID:0009000193315145)","Glege, F. (ORCID:0000000245262149)","Gouskos, L. (ORCID:0000000295477471)","Haranko, M. (ORCID:0000000293769235)","Hegeman, J. (ORCID:0000000229382263)","Huber, B.","Innocente, V. (ORCID:0000000332092088)","James, T. (ORCID:0000000237270202)","Janot, P. (ORCID:0000000173394272)","Kieseler, J. (ORCID:0000000316447678)","Laurila, S. (ORCID:0000000175078636)","Lecoq, P. (ORCID:0000000231980115)","Leutgeb, E. (ORCID:0000000348383306)","Lourenço, C. (ORCID:0000000308856711)","Maier, B. (ORCID:0000000152707540)","Malgeri, L. (ORCID:0000000201137389)","Mannelli, M. (ORCID:0000000337488946)","Marini, A. C. (ORCID:0000000323510487)","Matthewman, M.","Meijers, F. (ORCID:0000000265303657)","Mersi, S. (ORCID:0000000321556692)","Meschi, E. (ORCID:0000000345026151)","Milosevic, V. (ORCID:0000000211730696)","Moortgat, F. (ORCID:0000000171990046)","Mulders, M. (ORCID:0000000174326634)","Orfanelli, S.","Pantaleo, F. (ORCID:0000000332664357)","Peruzzi, M. (ORCID:000000020416696X)","Petrucciani, G. (ORCID:0000000308894726)","Pfeiffer, A. (ORCID:000000015328448X)","Pierini, M. (ORCID:0000000319394268)","Piparo, D. (ORCID:0009000669583111)","Qu, H. (ORCID:0000000202508655)","Rabady, D. (ORCID:0000000192390605)","Reales Gutiérrez, G.","Rovere, M. (ORCID:0000000180481622)","Sakulin, H. (ORCID:0000000321817258)","Scarfi, S. (ORCID:0009000686893576)","Selvaggi, M. (ORCID:0000000251449655)","Sharma, A. (ORCID:0000000252951460)","Shchelina, K. (ORCID:0000000337420693)","Silva, P. (ORCID:000000025725041X)","Sphicas, P. (ORCID:0000000254565977)","Stahl Leiton, A. G. (ORCID:000000025397252X)","Steen, A. (ORCID:0009000643663463)","Summers, S. (ORCID:0000000342442061)","Treille, D. (ORCID:0009000559529843)","Tropea, P. (ORCID:0000000318992266)","Tsirou, A.","Walter, D. (ORCID:0000000185849705)","Wanczyk, J. (ORCID:0000000285621863)","Wozniak, K. A. (ORCID:0000000243951581)","Zehetner, P. (ORCID:0009000205554697)","Zejdl, P. (ORCID:0000000195547815)","Zeuner, W. D.","Bevilacqua, T. (ORCID:0000000197912353)","Caminada, L. (ORCID:0000000156776033)","Ebrahimi, A. (ORCID:000000034472867X)","Erdmann, W. (ORCID:000000019964249X)","Horisberger, R. (ORCID:0000000255941321)","Ingram, Q. (ORCID:000000029576055X)","Kaestli, H. C. (ORCID:0000000319797331)","Kotlinski, D. (ORCID:0000000153334918)","Lange, C. (ORCID:0000000236323157)","Missiroli, M. (ORCID:0000000217801344)","Noehte, L. (ORCID:0000000161257203)","Rohe, T. (ORCID:0009000561887754)","Aarrestad, T. K. (ORCID:000000027671243X)","Androsov, K. (ORCID:0000000326946542)","Backhaus, M. (ORCID:0000000258882304)","Calandri, A. (ORCID:0000000177740099)","Cazzaniga, C. (ORCID:0000000300017657)","Datta, K. (ORCID:0000000266740015)","De Cosa, A. (ORCID:0000000325332856)","Dissertori, G. (ORCID:0000000245492569)","Dittmar, M.","Donegà, M. (ORCID:0000000198300412)","Eble, F. (ORCID:0009000206383447)","Galli, M. (ORCID:0000000294084756)","Gedia, K. (ORCID:0009000609147684)","Glessgen, F. (ORCID:0000000153091960)","Grab, C. (ORCID:0000000261823380)","Hits, D. (ORCID:0000000231356427)","Lustermann, W. (ORCID:0000000349702217)","Lyon, A. -M. (ORCID:0009000413936577)","Manzoni, R. A. (ORCID:0000000275845038)","Marchegiani, M. (ORCID:0000000203898640)","Marchese, L. (ORCID:0000000166278716)","Martin Perez, C. (ORCID:0000000315816152)","Mascellani, A. (ORCID:0000000163625356)","Nessi-Tedaldi, F. (ORCID:0000000247217966)","Pauss, F. (ORCID:0000000237524639)","Perovic, V. (ORCID:0009000285590531)","Pigazzini, S. (ORCID:0000000280464344)","Ratti, M. G. (ORCID:0000000317777855)","Reichmann, M. (ORCID:0000000262205496)","Reissel, C. (ORCID:0000000170801119)","Reitenspiess, T. (ORCID:0000000222490835)","Ristic, B. (ORCID:0000000286101130)","Riti, F. (ORCID:0000000214669077)","Ruini, D.","Sanz Becerra, D. A. (ORCID:0000000266104019)","Seidita, R. (ORCID:0000000235336191)","Steggemann, J. (ORCID:0000000344205510)","Valsecchi, D. (ORCID:0000000185878266)","Wallny, R. (ORCID:0000000180381613)","Amsler, C. (ORCID:000000027695501X)","Bärtschi, P. (ORCID:0000000288426027)","Botta, C. (ORCID:000000028072795X)","Brzhechko, D.","Canelli, M. F. (ORCID:0000000163612117)","Cormier, K. (ORCID:0000000178733579)","Del Burgo, R.","Heikkilä, J. K. (ORCID:0000000205381469)","Huwiler, M. (ORCID:0000000298065907)","Jin, W. (ORCID:0009000989767702)","Jofrehei, A. (ORCID:0000000289925426)","Kilminster, B. (ORCID:0000000266570407)","Leontsinis, S. (ORCID:0000000275616091)","Liechti, S. P. (ORCID:0000000211921628)","Macchiolo, A. (ORCID:0000000301996957)","Meiring, P. (ORCID:0009000194804039)","Mikuni, V. M. (ORCID:0000000215792421)","Molinatti, U. (ORCID:0000000292353406)","Neutelings, I. (ORCID:0009000264731403)","Reimers, A. (ORCID:0000000294382059)","Robmann, P.","Sanchez Cruz, S. (ORCID:000000029991195X)","Schweiger, K. (ORCID:0000000258463919)","Senger, M. (ORCID:0000000219925711)","Takahashi, Y. (ORCID:0000000151842265)","Tramontano, R. (ORCID:0000000159795299)","Adloff, C.","Kuo, C. M.","Lin, W.","Rout, P. K. (ORCID:0000000181496180)","Tiwari, P. C. (ORCID:0000000236673843)","Yu, S. S. (ORCID:0000000260118516)","Ceard, L.","Chao, Y. (ORCID:000000025976318X)","Chen, K. F. (ORCID:0000000313043782)","Chen, P. s.","Chen, Z. g.","Hou, W. -S. (ORCID:0000000242605118)","Hsu, T. h.","Kao, Y. w.","Khurana, R.","Kole, G. (ORCID:0000000232851497)","Li, Y. y. (ORCID:000000033598556X)","Lu, R. -S. (ORCID:0000000168281695)","Paganis, E. (ORCID:0000000219508993)","Psallidas, A.","Su, X. f.","Thomas-Wilsker, J. (ORCID:0000000312934153)","Tsai, L. s.","Wu, H. y.","Yazgan, E. (ORCID:0000000157327950)","Asawatangtrakuldee, C. (ORCID:0000000322347219)","Srimanobhas, N. (ORCID:0000000335632959)","Wachirapusitanand, V. (ORCID:0000000182515160)","Agyel, D. (ORCID:0000000217978844)","Boran, F. (ORCID:000000023611390X)","Demiroglu, Z. S. (ORCID:0000000179777127)","Dolek, F. (ORCID:0000000170925517)","Dumanoglu, I. (ORCID:0000000200395503)","Eskut, E. (ORCID:0000000183283314)","Guler, Y. (ORCID:0000000175985252)","Gurpinar Guler, E. (ORCID:0000000261720285)","Isik, C. (ORCID:0000000279770811)","Kara, O.","Kayis Topaksu, A. (ORCID:0000000231694573)","Kiminsu, U. (ORCID:0000000169407800)","Onengut, G. (ORCID:0000000262744254)","Ozdemir, K. (ORCID:0000000201031488)","Polatoz, A. (ORCID:0000000195160821)","Tali, B. (ORCID:0000000274475602)","Tok, U. G. (ORCID:000000023039021X)","Turkcapar, S. (ORCID:0000000326080494)","Uslan, E. (ORCID:0000000224720526)","Zorbakir, I. S. (ORCID:0000000259622221)","Yalvac, M. (ORCID:0000000349159162)","Akgun, B. (ORCID:0000000188883562)","Atakisi, I. O. (ORCID:0000000292317464)","Gülmez, E. (ORCID:000000026353518X)","Kaya, M. (ORCID:0000000328904493)","Kaya, O. (ORCID:0000000284853822)","Tekten, S. (ORCID:0000000296245525)","Cakir, A. (ORCID:0000000286277689)","Cankocak, K. (ORCID:0000000238293481)","Komurcu, Y. (ORCID:000000027084030X)","Sen, S. (ORCID:0000000173251087)","Aydilek, O. (ORCID:0000000225676766)","Cerci, S. (ORCID:0000000287026152)","Epshteyn, V. (ORCID:0000000288636374)","Hacisahinoglu, B. (ORCID:0000000226461230)","Hos, I. (ORCID:0000000276781101)","Isildak, B. (ORCID:0000000202835234)","Kaynak, B. (ORCID:0000000338572496)","Ozkorucuklu, S. (ORCID:0000000151539266)","Potok, O. (ORCID:0009000511416401)","Sert, H. (ORCID:0000000307166727)","Simsek, C. (ORCID:0000000273598635)","Sunar Cerci, D. (ORCID:0000000254124688)","Zorbilmez, C. (ORCID:000000025199061X)","Boyaryntsev, A. (ORCID:0000000192520430)","Grynyov, B. (ORCID:0000000317000173)","Levchuk, L. (ORCID:0000000158897410)","Anthony, D. (ORCID:0000000250168886)","Brooke, J. J. (ORCID:0000000325290684)","Bundock, A. (ORCID:0000000229166456)","Bury, F. (ORCID:0000000230772090)","Clement, E. (ORCID:0000000334124004)","Cussans, D. (ORCID:0000000181920826)","Flacher, H. (ORCID:000000025371941X)","Glowacki, M.","Goldstein, J. (ORCID:0000000315916014)","Heath, H. F. (ORCID:0000000165769740)","Kreczko, L. (ORCID:0000000323418330)","Krikler, B. (ORCID:0000000197120030)","Paramesvaran, S. (ORCID:0000000347488296)","Seif El Nasr-Storey, S.","Smith, V. J. (ORCID:0000000345432547)","Stylianou, N. (ORCID:0000000201136829)","Walkingshaw Pass, K.","White, R. (ORCID:000000015793526X)","Ball, A. H.","Bell, K. W. (ORCID:0000000222945860)","Belyaev, A. (ORCID:0000000316921173)","Brew, C. (ORCID:0000000165958365)","Brown, R. M. (ORCID:0000000267280153)","Cockerill, D. J. A. (ORCID:0000000324275765)","Cooke, C. (ORCID:0000000337304895)","Ellis, K. V.","Harder, K. (ORCID:0000000229656973)","Harper, S. (ORCID:0000000156372653)","Holmberg, M. -L. (ORCID:0000000294735985)","Linacre, J. (ORCID:000000017555652X)","Manolopoulos, K.","Newbold, D. M. (ORCID:0000000290159634)","Olaiya, E.","Petyt, D. (ORCID:0000000223694469)","Reis, T. (ORCID:0000000337036624)","Salvi, G. (ORCID:0000000227871063)","Schuh, T.","Shepherd-Themistocleous, C. H. (ORCID:0000000305516949)","Tomalin, I. R. (ORCID:0000000324194439)","Williams, T. (ORCID:0000000287244678)","Bainbridge, R. (ORCID:0000000191574832)","Bloch, P. (ORCID:000000016716979X)","Brown, C. E. (ORCID:0000000277666615)","Buchmuller, O.","Cacchio, V.","Carrillo Montoya, C. A. (ORCID:0000000262456535)","Chahal, G. S. (ORCID:0000000303204407)","Colling, D. (ORCID:0000000199594977)","Dancu, J. S.","Dauncey, P. (ORCID:0000000168399466)","Davies, G. (ORCID:0000000186685001)","Davies, J.","Della Negra, M. (ORCID:0000000164978081)","Fayer, S.","Fedi, G. (ORCID:0000000191012573)","Hall, G. (ORCID:0000000262998385)","Hassanshahi, M. H. (ORCID:0000000166344517)","Howard, A.","Iles, G. (ORCID:0000000212195859)","Knight, M. (ORCID:0009000811674816)","Langford, J. (ORCID:0000000239314379)","Lyons, L. (ORCID:0000000179459188)","Magnan, A. -M. (ORCID:0000000242661646)","Malik, S.","Martelli, A. (ORCID:0000000335302255)","Mieskolainen, M. (ORCID:0000000188937401)","Nash, J. (ORCID:0000000306076519)","Pesaresi, M.","Radburn-Smith, B. C. (ORCID:0000000314889675)","Richards, A.","Rose, A. (ORCID:000000029773550X)","Seez, C. (ORCID:0000000216375494)","Shukla, R. (ORCID:0000000156705497)","Tapper, A. (ORCID:000000034543864X)","Uchida, K. (ORCID:0000000307422276)","Uttley, G. P. (ORCID:0009000262486467)","Vage, L. H.","Virdee, T. (ORCID:0000000174292198)","Vojinovic, M. (ORCID:0000000186652808)","Wardle, N. (ORCID:0000000313443356)","Winterbottom, D. (ORCID:000000034582150X)","Coldham, K.","Cole, J. E. (ORCID:0000000156387599)","Khan, A.","Kyberd, P. (ORCID:0000000273537090)","Reid, I. D. (ORCID:000000029235779X)","Abdullin, S. (ORCID:0000000348856935)","Brinkerhoff, A. (ORCID:0000000248197995)","Caraway, B. (ORCID:0000000260882020)","Dittmann, J. (ORCID:0000000219113158)","Hatakeyama, K. (ORCID:0000000260122451)","Hiltbrand, J. (ORCID:0000000316915937)","Kanuganti, A. R. (ORCID:0000000207891200)","McMaster, B. (ORCID:0000000244940446)","Saunders, M. (ORCID:0000000315729075)","Sawant, S. (ORCID:0000000219817753)","Sutantawibul, C. (ORCID:0000000306000151)","Toms, M. (ORCID:0000000277033973)","Wilson, J. (ORCID:0000000256727394)","Bartek, R. (ORCID:0000000216862882)","Dominguez, A. (ORCID:0000000274205493)","Huerta Escamilla, C.","Simsek, A. E. (ORCID:0000000290742256)","Uniyal, R. (ORCID:0000000173456293)","Vargas Hernandez, A. M. (ORCID:0000000289117197)","Chudasama, R. (ORCID:0009000788486146)","Cooper, S. I. (ORCID:0000000246180313)","Gleyzer, S. V. (ORCID:0000000262228102)","Perez, C. U. (ORCID:0000000268612674)","Rumerio, P. (ORCID:0000000217025541)","Usai, E. (ORCID:0000000193232107)","West, C. (ORCID:0000000344602241)","Yi, R. (ORCID:0000000158181682)","Akpinar, A. (ORCID:0000000175106617)","Albert, A. (ORCID:0000000323699507)","Arcaro, D. (ORCID:0000000194578302)","Cosby, C. (ORCID:0000000303526561)","Demiragli, Z. (ORCID:000000018521737X)","Erice, C. (ORCID:0000000264693200)","Fontanesi, E. (ORCID:0000000206625904)","Gastler, D. (ORCID:0009000073076311)","Jeon, S. (ORCID:0000000312086940)","Rohlf, J. (ORCID:0000000164239799)","Salyer, K. (ORCID:0000000269571077)","Sperka, D. (ORCID:0000000246242019)","Spitzbart, D. (ORCID:0000000320252742)","Suarez, I. (ORCID:0000000253746995)","Tsatsos, A. (ORCID:0000000183108911)","Yuan, S. (ORCID:000000022029024X)","Benelli, G. (ORCID:0000000344618905)","Coubez, X.","Cutts, D. (ORCID:0000000310417099)","Hadley, M. (ORCID:0000000270684327)","Heintz, U. (ORCID:0000000275903058)","Hogan, J. M. (ORCID:0000000286043452)","Kwon, T. (ORCID:0000000195946277)","Landsberg, G. (ORCID:0000000241849380)","Lau, K. T. (ORCID:0000000313718575)","Li, D. (ORCID:0000000308908948)","Luo, J. (ORCID:0000000241088681)","Mondal, S. (ORCID:0000000301537590)","Narain, M. (ORCID:0000000278577403)","Pervan, N. (ORCID:0000000281538464)","Sagir, S. (ORCID:0000000226145860)","Simpson, F. (ORCID:0000000189449629)","Stamenkovic, M. (ORCID:0000000322510610)","Wong, W. Y.","Yan, X. (ORCID:0000000264260560)","Zhang, W.","Abbott, S. (ORCID:000000027791894X)","Bonilla, J. (ORCID:0000000269826121)","Brainerd, C. (ORCID:0000000295521006)","Breedon, R. (ORCID:0000000153147581)","Calderon De La Barca Sanchez, M. (ORCID:0000000198354349)","Chertok, M. (ORCID:0000000227296273)","Citron, M. (ORCID:0000000162508465)","Conway, J. (ORCID:0000000327195779)","Cox, P. T. (ORCID:0000000312182828)","Erbacher, R. (ORCID:0000000171708944)","Jensen, F. (ORCID:0000000337699081)","Kukral, O. (ORCID:0009000738586659)","Mocellin, G. (ORCID:0000000215313478)","Mulhearn, M. (ORCID:0000000311456436)","Pellett, D. (ORCID:0009000003898571)","Wei, W.","Yao, Y. (ORCID:0000000259904245)","Zhang, F. (ORCID:0000000261582468)","Bachtis, M. (ORCID:0000000331100701)","Cousins, R. (ORCID:0000000259630467)","Datta, A. (ORCID:0000000326957719)","Hauser, J. (ORCID:0000000297814873)","Ignatenko, M. (ORCID:0000000182585863)","Iqbal, M. A. (ORCID:0000000186641949)","Lam, T. (ORCID:0000000208627348)","Manca, E. (ORCID:000000018946655X)","Nash, W. A. (ORCID:0009000436338967)","Saltzberg, D. (ORCID:0000000306589146)","Stone, B. (ORCID:0000000293975231)","Valuev, V. (ORCID:0000000207836703)","Clare, R. (ORCID:0000000332935305)","Gordon, M.","Hanson, G. (ORCID:0000000272734009)","Si, W. (ORCID:0000000258796326)","Wimpenny, S. (ORCID:0000000305054908)","Branson, J. G. (ORCID:0009000956834614)","Cittolin, S. (ORCID:0000000209229587)","Cooperstein, S. (ORCID:0000000302623132)","Diaz, D. (ORCID:0000000168341176)","Duarte, J. (ORCID:0000000250767096)","Giannini, L. (ORCID:0000000256217706)","Guiang, J. (ORCID:0000000221558260)","Kansal, R. (ORCID:0000000324451060)","Krutelyov, V. (ORCID:0000000213860232)","Lee, R. (ORCID:0009000046340797)","Letts, J. (ORCID:0000000201561251)","Masciovecchio, M. (ORCID:0000000282009425)","Mokhtar, F. (ORCID:0000000325333402)","Pieri, M. (ORCID:0000000333036301)","Quinnan, M. (ORCID:0000000329025597)","Sathia Narayanan, B. V. (ORCID:0000000320765126)","Sharma, V. (ORCID:0000000317368795)","Tadel, M. (ORCID:0000000188000045)","Vourliotis, E. (ORCID:0000000222700492)","Würthwein, F. (ORCID:0000000159126124)","Xiang, Y. (ORCID:0000000341127457)","Yagil, A. (ORCID:0000000261084004)","Barzdukas, A. (ORCID:0000000205183286)","Brennan, L.","Campagnari, C. (ORCID:0000000289788177)","Collura, G. (ORCID:0000000241601844)","Dorsett, A. (ORCID:0000000153493011)","Incandela, J. (ORCID:0000000198502030)","Kilpatrick, M. (ORCID:0000000226020566)","Kim, J. (ORCID:0000000220726082)","Li, A. J. (ORCID:000000023895717X)","Masterson, P. (ORCID:0000000268907624)","Mei, H. (ORCID:0000000298388327)","Oshiro, M. (ORCID:0000000222007516)","Richman, J. (ORCID:000000025189146X)","Sarica, U. (ORCID:0000000215574424)","Schmitz, R. (ORCID:000000032328677X)","Setti, F. (ORCID:0000000198007822)","Sheplock, J. (ORCID:0000000287521946)","Stuart, D. (ORCID:0000000249650747)","Wang, S. (ORCID:0000000178871728)","Bornheim, A. (ORCID:0000000201280871)","Cerri, O.","Latorre, A.","Lawhorn, J. M. (ORCID:0000000285979259)","Mao, J. (ORCID:0009000289889987)","Newman, H. B. (ORCID:0000000309641480)","Nguyen, T. Q. (ORCID:0000000339545131)","Spiropulu, M. (ORCID:0000000181727081)","Vlimant, J. R. (ORCID:000000029705101X)","Wang, C. (ORCID:0000000201177196)","Xie, S. (ORCID:0000000325095731)","Zhu, R. Y. (ORCID:0000000330917461)","Alison, J. (ORCID:0000000308431641)","An, S. (ORCID:0000000297401622)","Andrews, M. B. (ORCID:0000000155374518)","Bryant, P. (ORCID:0000000181456322)","Dutta, V. (ORCID:000000015958829X)","Ferguson, T. (ORCID:0000000158223731)","Harilal, A. (ORCID:0000000196251987)","Liu, C. (ORCID:0000000231007294)","Mudholkar, T. (ORCID:0000000293528140)","Murthy, S. (ORCID:0000000212779168)","Paulini, M. (ORCID:0000000267145787)","Roberts, A. (ORCID:0000000251390550)","Sanchez, A. (ORCID:0000000254316989)","Terrill, W. (ORCID:0000000220788419)","Cumalat, J. P. (ORCID:0000000260325857)","Ford, W. T. (ORCID:0000000187036943)","Hassani, A. (ORCID:0009000843227682)","Karathanasis, G. (ORCID:0000000151155828)","MacDonald, E.","Manganelli, N. (ORCID:0000000233984531)","Marini, F. (ORCID:0000000223746433)","Perloff, A. (ORCID:0000000152300396)","Savard, C. (ORCID:0009000075070570)","Schonbeck, N. (ORCID:0009000834307269)","Stenson, K. (ORCID:000000034888205X)","Ulmer, K. A. (ORCID:0000000168759177)","Wagner, S. R. (ORCID:0000000292695772)","Zipper, N. (ORCID:0000000248058020)","Alexander, J. (ORCID:000000022046342X)","Bright-Thonney, S. (ORCID:0000000318897824)","Chen, X. (ORCID:0000000281571328)","Cranshaw, D. J. (ORCID:0000000274982129)","Fan, J. (ORCID:0009000337289960)","Fan, X. (ORCID:0000000320670127)","Gadkari, D. (ORCID:0000000266258085)","Hogan, S. (ORCID:0000000336572281)","Monroy, J. (ORCID:0000000273944710)","Patterson, J. R. (ORCID:0000000238153649)","Reichert, J. (ORCID:0000000321108021)","Reid, M. (ORCID:0000000177061416)","Ryd, A. (ORCID:0000000158491912)","Thom, J. (ORCID:0000000248708468)","Wittich, P. (ORCID:0000000274012181)","Zou, R. (ORCID:0000000205421264)","Albrow, M. (ORCID:0000000173294925)","Alyari, M. (ORCID:0000000192683360)","Amram, O. (ORCID:0000000237653123)","Apollinari, G. (ORCID:0000000252125396)","Apresyan, A. (ORCID:0000000261860130)","Bauerdick, L. A. T. (ORCID:0000000271709012)","Berry, D. (ORCID:0000000253838320)","Berryhill, J. (ORCID:0000000281243033)","Bhat, P. C. (ORCID:0000000333709246)","Burkett, K. (ORCID:0000000222844744)","Butler, J. N. (ORCID:0000000207458618)","Canepa, A. (ORCID:0000000340453998)","Cerati, G. B. (ORCID:0000000335480262)","Cheung, H. W. K. (ORCID:0000000163899357)","Chlebana, F. (ORCID:0000000287628559)","Cummings, G. (ORCID:0000000280457806)","Dickinson, J. (ORCID:0000000154505328)","Dutta, I. (ORCID:0000000309534503)","Elvira, V. D. (ORCID:0000000344464395)","Feng, Y. (ORCID:000000032812338X)","Freeman, J. (ORCID:0000000234155671)","Gandrakota, A. (ORCID:0000000348603233)","Gecse, Z. (ORCID:0009000965613418)","Gray, L. (ORCID:0000000264084288)","Green, D.","Grummer, A. (ORCID:0000000327521183)","Grünendahl, S. (ORCID:0000000248570294)","Guerrero, D. (ORCID:0000000155525400)","Gutsche, O. (ORCID:0000000280159622)","Harris, R. M. (ORCID:0000000314613425)","Heller, R. (ORCID:0000000273686723)","Herwig, T. C. (ORCID:0000000242806382)","Hirschauer, J. (ORCID:0000000282440805)","Horyn, L. (ORCID:0000000295124932)","Jayatilaka, B. (ORCID:0000000179125612)","Jindariani, S. (ORCID:0009000070466533)","Johnson, M. (ORCID:0000000177578458)","Joshi, U. (ORCID:0000000183750760)","Klijnsma, T. (ORCID:0000000316756040)","Klima, B. (ORCID:0000000236917625)","Kwok, K. H. M. (ORCID:0000000286936146)","Lammel, S. (ORCID:000000030027635X)","Lincoln, D. (ORCID:0000000205997407)","Lipton, R. (ORCID:0000000266657289)","Liu, T. (ORCID:0009000765225605)","Madrid, C. (ORCID:0000000333012246)","Maeshima, K. (ORCID:000900002822897X)","Mantilla, C. (ORCID:0000000201775903)","Mason, D. (ORCID:0000000200745390)","McBride, P. (ORCID:0000000161597750)","Merkel, P. (ORCID:0000000347275442)","Mrenna, S. (ORCID:000000018731160X)","Nahn, S. (ORCID:0000000289490178)","Ngadiuba, J. (ORCID:0000000200552935)","Noonan, D. (ORCID:0000000239323769)","Papadimitriou, V. (ORCID:0000000206907186)","Pastika, N. (ORCID:0009000609936245)","Pedro, K. (ORCID:0000000322609151)","Pena, C. (ORCID:0000000245007930)","Ravera, F. (ORCID:0000000336320287)","Reinsvold Hall, A. (ORCID:0000000316538553)","Ristori, L. (ORCID:0000000319502492)","Sexton-Kennedy, E. (ORCID:0000000191711980)","Smith, N. (ORCID:0000000203243054)","Soha, A. (ORCID:0000000259681192)","Spiegel, L. (ORCID:0000000196721328)","Stoynev, S. (ORCID:0000000345637702)","Taylor, L. (ORCID:0000000265842538)","Tkaczyk, S. (ORCID:0000000176425185)","Tran, N. V. (ORCID:0000000284406854)","Uplegger, L. (ORCID:000000029202803X)","Vaandering, E. W. (ORCID:0000000332076950)","Zoi, I. (ORCID:0000000257389446)","Aruta, C. (ORCID:0000000195243264)","Avery, P. (ORCID:000000030609627X)","Bourilkov, D. (ORCID:0000000302604935)","Cadamuro, L. (ORCID:000000018789610X)","Chang, P. (ORCID:0000000220956320)","Cherepanov, V. (ORCID:0000000267484850)","Field, R. D.","Koenig, E. (ORCID:0000000208847922)","Kolosova, M. (ORCID:0000000258382158)","Konigsberg, J. (ORCID:0000000168508765)","Korytov, A. (ORCID:0000000192393398)","Lo, K. H.","Matchev, K. (ORCID:0000000341829096)","Menendez, N. (ORCID:0000000232953194)","Mitselmakher, G. (ORCID:0000000157453658)","Mohrman, K. (ORCID:0009000729400496)","Muthirakalayil Madhu, A. (ORCID:0000000312093032)","Rawal, N. (ORCID:0000000277343170)","Rosenzweig, D. (ORCID:0000000236875189)","Rosenzweig, S. (ORCID:0000000256131507)","Shi, K. (ORCID:0000000224750055)","Wang, J. (ORCID:0000000338794873)","Adams, T. (ORCID:0000000180495143)","Al Kadhim, A. (ORCID:0000000334908407)","Askew, A. (ORCID:0000000271721396)","Bower, N. (ORCID:0000000187750696)","Habibullah, R. (ORCID:0000000231618300)","Hagopian, V. (ORCID:0000000237911989)","Hashmi, R. (ORCID:0000000254398224)","Kim, R. S. (ORCID:000000028645186X)","Kim, S. (ORCID:0000000323815117)","Kolberg, T. (ORCID:0000000202116109)","Martinez, G.","Prosper, H. (ORCID:0000000240772713)","Prova, P. R.","Viazlo, O. (ORCID:0000000229570301)","Wulansatiti, M. (ORCID:0000000167943079)","Yohay, R. (ORCID:0000000201249065)","Zhang, J.","Alsufyani, B.","Baarmand, M. M. (ORCID:0000000297928619)","Butalla, S. (ORCID:0000000334239581)","Elkafrawy, T. (ORCID:0000000199306445)","Hohlmann, M. (ORCID:0000000345789319)","Kumar Verma, R. (ORCID:000000028264156X)","Rahmani, M.","Adams, M. R. (ORCID:0000000184933737)","Bennett, C.","Cavanaugh, R. (ORCID:0000000171693420)","Dittmer, S. (ORCID:0000000253599614)","Escobar Franco, R. (ORCID:0000000320905010)","Evdokimov, O. (ORCID:0000000212508931)","Gerber, C. E. (ORCID:0000000281169021)","Hofman, D. J. (ORCID:0000000224493845)","Lee, J. h. (ORCID:0000000255744192)","Lemos, D. S. (ORCID:0000000319828978)","Merrit, A. H. (ORCID:0000000339226464)","Mills, C. (ORCID:0000000180354818)","Nanda, S. (ORCID:0000000305504083)","Oh, G. (ORCID:0000000307441063)","Ozek, B. (ORCID:0009000025701100)","Pilipovic, D. (ORCID:0000000242102780)","Roy, T. (ORCID:0000000172997653)","Rudrabhatla, S. (ORCID:0000000273664225)","Tonjes, M. B. (ORCID:0000000226179315)","Varelas, N. (ORCID:0000000293975514)","Wang, X. (ORCID:0000000327928493)","Ye, Z. (ORCID:0000000160916772)","Yoo, J. (ORCID:0000000304633043)","Alhusseini, M. (ORCID:000000029239470X)","Blend, D.","Dilsiz, K. (ORCID:0000000301383368)","Emediato, L. (ORCID:0000000230215032)","Karaman, G. (ORCID:0000000187399648)","Köseyan, O. K. (ORCID:0000000190403468)","Merlo, J. -P.","Mestvirishvili, A. (ORCID:0000000285915247)","Nachtman, J. (ORCID:0000000339513420)","Neogi, O.","Ogul, H. (ORCID:0000000251212893)","Onel, Y. (ORCID:0000000281417769)","Penzo, A. (ORCID:000000033436047X)","Snyder, C.","Tiras, E. (ORCID:0000000256287464)","Blumenfeld, B. (ORCID:0000000311501735)","Corcodilos, L. (ORCID:0000000167513108)","Davis, J. (ORCID:0000000164886195)","Gritsan, A. V. (ORCID:0000000235457970)","Kang, L. (ORCID:0000000209414512)","Kyriacou, S. (ORCID:0000000292544368)","Maksimovic, P. (ORCID:0000000223582168)","Roguljic, M. (ORCID:0000000153113007)","Roskes, J. (ORCID:0000000187610490)","Sekhar, S. (ORCID:0000000283077518)","Swartz, M. (ORCID:0000000202865070)","Vámi, T. Á. (ORCID:0000000209599211)","Abreu, A. (ORCID:0000000290002215)","Alcerro Alcerro, L. F. (ORCID:0000000157705077)","Anguiano, J. (ORCID:000000027349350X)","Baringer, P. (ORCID:0000000236918388)","Bean, A. (ORCID:0000000159678674)","Flowers, Z. (ORCID:0000000183142052)","Grove, D.","King, J. (ORCID:0000000196529854)","Krintiras, G. (ORCID:0000000203807577)","Lazarovits, M. (ORCID:0000000255653119)","Le Mahieu, C. (ORCID:0000000159241130)","Lindsey, C.","Marquez, J. (ORCID:0000000338874048)","Minafra, N. (ORCID:0000000340021888)","Murray, M. (ORCID:0000000172194818)","Nickel, M. (ORCID:0000000304191329)","Pitt, M. (ORCID:0000000324615985)","Popescu, S. (ORCID:0000000203452171)","Rogan, C. (ORCID:0000000241664503)","Royon, C. (ORCID:0000000276729709)","Salvatico, R. (ORCID:0000000227510567)","Sanders, S. (ORCID:0000000294916022)","Smith, C. (ORCID:0000000305050528)","Wang, Q. (ORCID:0000000310148677)","Wilson, G. (ORCID:0000000309174763)","Allmond, B. (ORCID:0000000255937736)","Ivanov, A. (ORCID:0000000292705643)","Kaadze, K. (ORCID:000000030571163X)","Kalogeropoulos, A. (ORCID:0000000334440314)","Kim, D.","Maravin, Y. (ORCID:0000000294490666)","Nam, K.","Natoli, J. (ORCID:0000000166753564)","Roy, D. (ORCID:0000000286597762)","Sorrentino, G. (ORCID:000000022253819X)","Rebassoo, F. (ORCID:0000000189349329)","Wright, D. (ORCID:0000000235863354)","Adams, E. (ORCID:0000000328092683)","Baden, A. (ORCID:0000000261593861)","Baron, O.","Belloni, A. (ORCID:000000021727656X)","Bethani, A. (ORCID:0000000281507043)","Chen, Y. M. (ORCID:0000000257954783)","Eno, S. C. (ORCID:0000000342822515)","Hadley, N. J. (ORCID:0000000212096471)","Jabeen, S. (ORCID:0000000201557383)","Kellogg, R. G. (ORCID:000000019235521X)","Koeth, T. (ORCID:0000000200820514)","Lai, Y. (ORCID:0000000277958693)","Lascio, S. (ORCID:0000000185795874)","Mignerey, A. C. (ORCID:0000000151646969)","Nabili, S. (ORCID:0000000268931018)","Palmer, C. (ORCID:0000000258015737)","Papageorgakis, C. (ORCID:0000000345480346)","Paranjpe, M. M.","Wang, L. (ORCID:0000000334430626)","Wong, K. (ORCID:0000000296981354)","Bendavid, J. (ORCID:0000000279071789)","Busza, W. (ORCID:0000000238319071)","Cali, I. A. (ORCID:0000000228223375)","Chen, Y. (ORCID:0000000325826469)","D’Alfonso, M. (ORCID:0000000274097904)","Eysermans, J. (ORCID:0000000164837123)","Freer, C. (ORCID:0000000279674635)","Gomez-Ceballos, G. (ORCID:0000000316839460)","Goncharov, M.","Harris, P.","Hoang, D.","Kovalskyi, D. (ORCID:000000026923293X)","Krupa, J. (ORCID:0000000307857552)","Lavezzo, L. (ORCID:0000000213649920)","Lee, Y. -J. (ORCID:0000000325937767)","Long, K. (ORCID:0000000306641653)","Mironov, C. (ORCID:0000000285992437)","Paus, C. (ORCID:0000000260474211)","Rankin, D. (ORCID:0000000184119620)","Roland, C. (ORCID:0000000273125854)","Roland, G. (ORCID:0000000189832169)","Rothman, S. (ORCID:0000000213779119)","Shi, Z. (ORCID:0000000154988825)","Stephans, G. S. F. (ORCID:0000000331064894)","Wang, J.","Wang, Z. (ORCID:0000000230743767)","Wyslouch, B. (ORCID:0000000336810649)","Yang, T. J. (ORCID:0000000343174660)","Crossman, B. (ORCID:0000000227005085)","Joshi, B. M. (ORCID:0000000247230968)","Kapsiak, C. (ORCID:0009000877435316)","Krohn, M. (ORCID:0000000217112506)","Mahon, D. (ORCID:0000000226405941)","Mans, J. (ORCID:0000000328401087)","Marzocchi, B. (ORCID:0000000166876214)","Pandey, S. (ORCID:0000000304406019)","Revering, M. (ORCID:0000000150510293)","Rusack, R. (ORCID:000000027633749X)","Saradhy, R. (ORCID:000000018720293X)","Schroeder, N. (ORCID:0000000283366141)","Strobbe, N. (ORCID:0000000188358282)","Wadud, M. A. (ORCID:0000000206530761)","Cremaldi, L. M. (ORCID:0000000155507827)","Bloom, K. (ORCID:0000000242728900)","Bryson, M.","Claes, D. R. (ORCID:0000000341988919)","Fangmeier, C. (ORCID:0000000259988047)","Golf, F. (ORCID:0000000335679351)","Haza, G. (ORCID:0009000113263956)","Hossain, J. (ORCID:0000000151447919)","Joo, C. (ORCID:0000000256614330)","Kravchenko, I. (ORCID:0000000300680395)","Reed, I. (ORCID:0000000218238856)","Siado, J. E. (ORCID:000000029757470X)","Tabb, W. (ORCID:0000000295424847)","Vagnerini, A. (ORCID:0000000187305031)","Wightman, A. (ORCID:0000000166515320)","Yan, F. (ORCID:0000000240420785)","Yu, D. (ORCID:0000000159215231)","Zecchinelli, A. G. (ORCID:000000018986278X)","Agarwal, G. (ORCID:0000000225935297)","Bandyopadhyay, H. (ORCID:0000000197264915)","Hay, L. (ORCID:0000000270867641)","Iashvili, I. (ORCID:0000000319485901)","Kharchilava, A. (ORCID:0000000239130326)","McLean, C. (ORCID:0000000274504805)","Morris, M. (ORCID:0000000228306488)","Nguyen, D. (ORCID:0000000251858504)","Rappoccio, S. (ORCID:0000000254492560)","Rejeb Sfar, H.","Williams, A. (ORCID:0000000340556532)","Alverson, G. (ORCID:0000000166511178)","Barberis, E. (ORCID:0000000264175913)","Haddad, Y. (ORCID:0000000349167752)","Han, Y. (ORCID:0000000235106505)","Krishna, A. (ORCID:000000024319818X)","Li, J. (ORCID:0000000152452074)","Lu, M. (ORCID:0000000269993931)","Madigan, G. (ORCID:0000000187965865)","Mccarthy, R. (ORCID:0000000293912599)","Morse, D. M. (ORCID:0000000331632169)","Nguyen, V. (ORCID:0000000312789208)","Orimoto, T. (ORCID:0000000283883341)","Parker, A. (ORCID:0000000294213335)","Skinnari, L. (ORCID:0000000220196755)","Tishelman-Charny, A. (ORCID:0000000273325098)","Wang, B. (ORCID:0000000307962475)","Wood, D. (ORCID:000000026477801X)","Bhattacharya, S. (ORCID:0000000205266161)","Bueghly, J.","Chen, Z. (ORCID:0000000345216086)","Hahn, K. A. (ORCID:0000000178921676)","Liu, Y. (ORCID:0000000255881760)","Miao, Y. (ORCID:0000000220232082)","Monk, D. G. (ORCID:0000000283771999)","Schmitt, M. H. (ORCID:0000000308143578)","Taliercio, A. (ORCID:0000000251196280)","Velasco, M.","Band, R. (ORCID:0000000348730523)","Bucci, R.","Castells, S. (ORCID:0000000326183856)","Cremonesi, M.","Das, A. (ORCID:0000000191159698)","Goldouzian, R. (ORCID:000000020295249X)","Hildreth, M. (ORCID:0000000244543934)","Ho, K. W. (ORCID:0000000322297223)","Hurtado Anampa, K. (ORCID:0000000297793566)","Jessop, C. (ORCID:0000000268853611)","Lannon, K. (ORCID:0000000297060098)","Lawrence, J. (ORCID:0000000163267210)","Loukas, N. (ORCID:0000000300496918)","Lutton, L. (ORCID:0000000232124505)","Mariano, J.","Marinelli, N.","Mcalister, I.","McCauley, T. (ORCID:0000000165898286)","Mcgrady, C. (ORCID:0000000288212045)","Moore, C. (ORCID:0000000281404183)","Musienko, Y. (ORCID:0009000635451938)","Nelson, H. (ORCID:0000000155920785)","Osherson, M. (ORCID:0000000297609976)","Ruchti, R. (ORCID:0000000231511386)","Townsend, A. (ORCID:000000023696689X)","Wayne, M. (ORCID:0000000182046157)","Yockey, H.","Zarucki, M. (ORCID:0000000315105772)","Zygala, L. (ORCID:0000000196657282)","Basnet, A. (ORCID:0000000184600019)","Bylsma, B.","Carrigan, M. (ORCID:0000000305385854)","Durkin, L. S. (ORCID:0000000204771051)","Hill, C. (ORCID:0000000300590779)","Joyce, M. (ORCID:0000000311125880)","Lesauvage, A. (ORCID:0000000334377845)","Nunez Ornelas, M. (ORCID:0000000326637379)","Wei, K.","Winer, B. L. (ORCID:0000000199804698)","Yates, B. R. (ORCID:0000000173661318)","Addesa, F. M. (ORCID:0000000304845804)","Bouchamaoui, H. (ORCID:0000000297761935)","Das, P. (ORCID:0000000297701377)","Dezoort, G. (ORCID:0000000258900445)","Elmer, P. (ORCID:0000000168303356)","Frankenthal, A. (ORCID:0000000225835982)","Greenberg, B. (ORCID:0000000249221934)","Haubrich, N. (ORCID:0000000276258169)","Higginbotham, S. (ORCID:0000000244365461)","Kopp, G. (ORCID:0000000181600208)","Kwan, S. (ORCID:0000000253087707)","Lange, D. (ORCID:0000000290865184)","Loeliger, A. (ORCID:0000000250171487)","Marlow, D. (ORCID:0000000263951079)","Ojalvo, I. (ORCID:0000000314556272)","Olsen, J. (ORCID:0000000293615762)","Shevelev, A. (ORCID:0000000346000228)","Stickland, D. (ORCID:0000000347028820)","Tully, C. (ORCID:0000000167712174)","Malik, S. (ORCID:0000000263562655)","Bakshi, A. S. (ORCID:0000000228576883)","Barnes, V. E. (ORCID:0000000169393445)","Chandra, S. (ORCID:0009000074124071)","Chawla, R. (ORCID:0000000348026819)","Das, S. (ORCID:0000000167019265)","Gu, A. (ORCID:0000000262301138)","Gutay, L.","Jones, M. (ORCID:0000000299514583)","Jung, A. W. (ORCID:0000000330683212)","Kondratyev, D. (ORCID:0000000278742480)","Koshy, A. M.","Liu, M. (ORCID:000000019012395X)","Negro, G. (ORCID:0000000214182154)","Neumeister, N. (ORCID:0000000323561700)","Paspalaki, G. (ORCID:0000000168151065)","Piperov, S. (ORCID:0000000292667819)","Scheurer, V.","Schulte, J. F. (ORCID:000000034421680X)","Stojanovic, M. (ORCID:0000000215420855)","Thieman, J. (ORCID:0000000176846588)","Virdi, A. K. (ORCID:0000000208668932)","Wang, F. (ORCID:0000000283130809)","Xie, W. (ORCID:0000000314309191)","Dolen, J. (ORCID:0000000311413823)","Parashar, N. (ORCID:0009000917170413)","Pathak, A. (ORCID:0000000198612942)","Acosta, D. (ORCID:0000000153671738)","Baty, A. (ORCID:0000000153103466)","Carnahan, T. (ORCID:0000000174923201)","Dildick, S. (ORCID:0000000305544755)","Ecklund, K. M. (ORCID:0000000269764637)","Fernández Manteca, P. J. (ORCID:0000000325667496)","Freed, S.","Gardner, P.","Geurts, F. J. M. (ORCID:0000000328569090)","Kumar, A. (ORCID:0000000251806595)","Li, W. (ORCID:0000000341363409)","Miguel Colin, O. (ORCID:000000016612432X)","Padley, B. P. (ORCID:0000000235725701)","Redjimi, R.","Rotter, J. (ORCID:0009000940407407)","Yigitbasi, E. (ORCID:0000000295952623)","Zhang, Y. (ORCID:000000026812761X)","Bodek, A. (ORCID:0000000304090341)","de Barbaro, P. (ORCID:0000000255081827)","Demina, R. (ORCID:000000027852167X)","Dulemba, J. L. (ORCID:0000000298427015)","Fallon, C.","Garcia-Bellido, A. (ORCID:0000000214071972)","Hindrichs, O. (ORCID:0000000176405264)","Khukhunaishvili, A. (ORCID:0000000238341316)","Parygin, P. (ORCID:0000000167433781)","Popova, E. (ORCID:0000000175568969)","Taus, R. (ORCID:0000000251682932)","Van Onsem, G. P. (ORCID:0000000216642337)","Goulianos, K. (ORCID:0000000262309535)","Chiarito, B.","Chou, J. P. (ORCID:000000016315905X)","Gershtein, Y. (ORCID:0000000248715449)","Halkiadakis, E. (ORCID:0000000235847856)","Hart, A. (ORCID:0000000323496582)","Heindl, M. (ORCID:000000022831463X)","Jaroslawski, D. (ORCID:0000000324971242)","Karacheban, O. (ORCID:0000000227853762)","Laflotte, I. (ORCID:0000000273668090)","Lath, A. (ORCID:0000000302289760)","Montalvo, R.","Nash, K.","Routray, H. (ORCID:0000000296944625)","Salur, S. (ORCID:0000000249959285)","Schnetzer, S.","Somalwar, S. (ORCID:0000000288567401)","Stone, R. (ORCID:000000016229695X)","Thayil, S. A. (ORCID:0000000214690335)","Thomas, S.","Vora, J. (ORCID:0000000193252175)","Wang, H. (ORCID:0000000230270752)","Acharya, H.","Ally, D. (ORCID:0000000163045861)","Delannoy, A. G. (ORCID:0000000312526213)","Fiorendi, S. (ORCID:0000000332739419)","Holmes, T. (ORCID:0000000239595174)","Karunarathna, N. (ORCID:0000000234120508)","Lee, L. (ORCID:000000025590335X)","Nibigira, E. (ORCID:000000015821291X)","Spanier, S. (ORCID:0000000270494646)","Aebi, D. (ORCID:0000000171246911)","Ahmad, M. (ORCID:000000019933995X)","Bouhali, O. (ORCID:0000000171397322)","Dalchenko, M. (ORCID:000000020137136X)","Eusebi, R. (ORCID:0000000333226287)","Gilmore, J. (ORCID:0000000199110143)","Huang, T. (ORCID:0000000207935664)","Kamon, T. (ORCID:0000000155657868)","Kim, H. (ORCID:0000000180199387)","Luo, S. (ORCID:0000000331224245)","Malhotra, S.","Mueller, R. (ORCID:0000000267236689)","Overton, D. (ORCID:0009000906488151)","Rathjens, D. (ORCID:0000000284201488)","Safonov, A. (ORCID:0000000194975471)","Akchurin, N. (ORCID:0000000261274350)","Damgov, J. (ORCID:0000000338632567)","Hegde, V. (ORCID:0000000349522873)","Hussain, A. (ORCID:0000000162169002)","Kazhykarim, Y.","Lamichhane, K. (ORCID:0000000301527683)","Lee, S. W. (ORCID:0000000210283468)","Mankel, A. (ORCID:0000000221246312)","Mengke, T.","Muthumuni, S. (ORCID:0000000304326895)","Peltola, T. (ORCID:0000000247324008)","Volobouev, I. (ORCID:0000000220876128)","Whitbeck, A. (ORCID:0000000342245164)","Appelt, E. (ORCID:0000000333894584)","Greene, S.","Gurrola, A. (ORCID:0000000227934052)","Johns, W. (ORCID:0000000152918903)","Kunnawalkam Elayavalli, R. (ORCID:0000000292021516)","Melo, A. (ORCID:0000000334738858)","Romeo, F. (ORCID:0000000212976065)","Sheldon, P. (ORCID:0000000315505223)","Tuo, S. (ORCID:0000000161420429)","Velkovska, J. (ORCID:0000000314235241)","Viinikainen, J. (ORCID:0000000325304265)","Cardwell, B. (ORCID:0000000155530891)","Cox, B. (ORCID:0000000337524759)","Hakala, J. (ORCID:0000000195863316)","Hirosky, R. (ORCID:0000000303046330)","Ledovskoy, A. (ORCID:0000000348610943)","Li, A. (ORCID:000000024547116X)","Neu, C. (ORCID:0000000336448627)","Perez Lara, C. E. (ORCID:0000000301998864)","Karchin, P. E. (ORCID:0000000312843470)","Aravind, A.","Banerjee, S. (ORCID:000000017880922X)","Black, K. (ORCID:0000000173205080)","Bose, T. (ORCID:0000000180265380)","Dasu, S. (ORCID:0000000159939045)","De Bruyn, I. (ORCID:0000000317044360)","Everaerts, P. (ORCID:000000033848324X)","Galloni, C.","He, H. (ORCID:0009000839062037)","Herndon, M. (ORCID:0000000330431090)","Herve, A. (ORCID:0000000219592363)","Koraka, C. K. (ORCID:0000000245489992)","Lanaro, A.","Loveless, R. (ORCID:0000000225624405)","Madhusudanan Sreekala, J. (ORCID:000000032590763X)","Mallampalli, A. (ORCID:0000000237938516)","Mohammadi, A. (ORCID:000000018152927X)","Mondal, S.","Parida, G. (ORCID:0000000196654575)","Pinna, D.","Savin, A.","Shang, V. (ORCID:0000000214366092)","Sharma, V. (ORCID:0000000312871471)","Smith, W. H. (ORCID:0000000331950909)","Teague, D.","Tsoi, H. F. (ORCID:0000000225502184)","Vetens, W. (ORCID:0000000310581163)","Warden, A. (ORCID:0000000174637360)","Afanasiev, S. (ORCID:000900068766226X)","Andreev, V. (ORCID:0000000254926920)","Andreev, Yu (ORCID:0000000273979665)","Aushev, T. (ORCID:0000000263477055)","Azarkin, M. (ORCID:0000000274481447)","Babaev, A. (ORCID:0000000188763886)","Belyaev, A. (ORCID:0000000217334408)","Blinov, V.","Boos, E. (ORCID:0000000201935073)","Borshch, V. (ORCID:0000000254791982)","Budkouski, D. (ORCID:0000000220291007)","Bunichev, V. (ORCID:0000000344182072)","Chadeeva, M. (ORCID:0000000318141218)","Chekhovsky, V.","Chistov, R. (ORCID:0000000314398390)","Dermenev, A. (ORCID:000000015619376X)","Dimova, T. (ORCID:0000000295600660)","Druzhkin, D. (ORCID:0000000175203329)","Dubinin, M. (ORCID:0000000277667175)","Dudko, L. (ORCID:0000000244623192)","Ershov, A. (ORCID:000000015779142X)","Gavrilov, G. (ORCID:0000000196897999)","Gavrilov, V. (ORCID:0000000296172928)","Gninenko, S. (ORCID:0000000164957619)","Golovtcov, V. (ORCID:0000000205950297)","Golubev, N. (ORCID:0000000295047754)","Golutvin, I. (ORCID:0009000765080215)","Gorbunov, I. (ORCID:0000000337776606)","Gribushin, A. (ORCID:0000000252524645)","Ivanov, Y. (ORCID:0000000151637632)","Kachanov, V. (ORCID:000000023062010X)","Kardapoltsev, L. (ORCID:0009000035019607)","Karjavine, V. (ORCID:0000000253263854)","Karneyeu, A. (ORCID:0000000199831004)","Kim, V. (ORCID:0000000171612133)","Kirakosyan, M.","Kirpichnikov, D. (ORCID:000000027177077X)","Kirsanov, M. (ORCID:0000000288796538)","Klyukhin, V. (ORCID:0000000285776531)","Kodolova, O. (ORCID:0000000313424251)","Konstantinov, D. (ORCID:0000000166737273)","Korenkov, V. (ORCID:0000000223427862)","Kozyrev, A. (ORCID:0000000306849235)","Krasnikov, N. (ORCID:0000000287176492)","Lanev, A. (ORCID:0000000182447321)","Levchenko, P. (ORCID:0000000349130538)","Lychkovskaya, N. (ORCID:0000000150849019)","Makarenko, V. (ORCID:0000000284068605)","Malakhov, A. (ORCID:0000000185698409)","Matveev, V. (ORCID:0000000227455908)","Murzin, V. (ORCID:0000000205544627)","Nikitenko, A. (ORCID:0000000219335383)","Obraztsov, S. (ORCID:0009000111522758)","Oreshkin, V. (ORCID:0000000347494995)","Palichik, V. (ORCID:0009000803561061)","Perelygin, V. (ORCID:0009000550394874)","Perfilov, M.","Petrushanko, S. (ORCID:0000000302109061)","Polikarpov, S. (ORCID:000000016839928X)","Popov, V.","Radchenko, O. (ORCID:0000000171169469)","Savina, M. (ORCID:0000000290207384)","Savrin, V. (ORCID:0009000039732485)","Shalaev, V. (ORCID:0000000228936922)","Shmatov, S. (ORCID:0000000153548350)","Shulha, S. (ORCID:000000024265928X)","Skovpen, Y. (ORCID:0000000233160604)","Slabospitskii, S. (ORCID:0000000181782494)","Smirnov, V. (ORCID:0000000290499196)","Sosnov, D. (ORCID:0000000274528380)","Sulimov, V. (ORCID:0009000986456685)","Tcherniaev, E. (ORCID:0000000236850635)","Terkulov, A. (ORCID:0000000349853226)","Teryaev, O. (ORCID:0000000170029093)","Tlisova, I. (ORCID:0000000315522015)","Toropin, A. (ORCID:0000000221064041)","Uvarov, L. (ORCID:0000000276022527)","Uzunian, A. (ORCID:0000000270079020)","Vorobyev, A.","Voytishin, N. (ORCID:0000000165906266)","Yuldashev, B. S.","Zarubin, A. (ORCID:0000000219646106)","Zhizhin, I. (ORCID:0000000161719682)","Zhokin, A. (ORCID:0000000171785907)"],"subjects":["72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS","leptoquarks","tau leptons","hadron colliders"],"article_type":"Accepted Manuscript","contributing_org":"CMS Collaboration","doe_contract_number":"AC02-07CH11359","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"},{"name":"Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)","Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)"],"journal_issn":"ISSN 0031-9007","other_identifiers":["Journal ID: ISSN 0031-9007; oai:inspirehep.net:2687527"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/1997538"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/1997538"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/1997538"}]}, {"osti_id":"2283241","title":"De novo design of modular protein hydrogels with programmable intra- and extracellular viscoelasticity","doi":"10.1073/pnas.2309457121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 6","description":"<p>Relating the macroscopic properties of protein-based materials to their underlying component microstructure is an outstanding challenge. Here, we exploit computational design to specify the size, flexibility, and valency of de novo protein building blocks, as well as the interaction dynamics between them, to investigate how molecular parameters govern the macroscopic viscoelasticity of the resultant protein hydrogels. We construct gel systems from pairs of symmetric protein homo-oligomers, each comprising 2, 5, 24, or 120 individual protein components, that are crosslinked either physically or covalently into idealized step-growth biopolymer networks. Through rheological assessment, we find that the covalent linkage of multifunctional precursors yields hydrogels whose viscoelasticity depends on the crosslink length between the constituent building blocks. In contrast, reversibly crosslinking the homo-oligomeric components with a computationally designed heterodimer results in viscoelastic biomaterials exhibiting fluid-like properties under rest and low shear, but solid-like behavior at higher frequencies. Exploiting the unique genetic encodability of these materials, we demonstrate the assembly of protein networks within living mammalian cells and show via fluorescence recovery after photobleaching (FRAP) that mechanical properties can be tuned intracellularly in a manner similar to formulations formed extracellularly. We anticipate that the ability to modularly construct and systematically program the viscoelastic properties of designer protein-based materials could have broad utility in biomedicine, with applications in tissue engineering, therapeutic delivery, and synthetic biology.<\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"6","journal_volume":"121","format":"Medium: X","authors":["Mout, Rubul [Department of Biochemistry, University of Washington, Seattle, WA 98195, Institute for Protein Design, University of Washington, Seattle, WA 98195, Stem Cell Program at Boston Children’s Hospital, Harvard Medical School, Boston, MA 02115] (ORCID:0000000161255873)","Bretherton, Ross C. [Department of Bioengineering, University of Washington, Seattle, WA 98195, Department of Chemical Engineering, University of Washington, Seattle, WA 98195, Institute for Stem Cell and Regenerative Medicine, University of Washington, Seattle, WA 98195, Department of Chemistry, University of Washington, Seattle, WA 98195, Molecular Engineering &, Sciences Institute, University of Washington, Seattle, WA 98195]","Decarreau, Justin [Department of Biochemistry, University of Washington, Seattle, WA 98195, Institute for Protein Design, University of Washington, Seattle, WA 98195] (ORCID:0000000189967741)","Lee, Sangmin [Department of Biochemistry, University of Washington, Seattle, WA 98195, Institute for Protein Design, University of Washington, Seattle, WA 98195] (ORCID:0000000211454708)","Gregorio, Nicole [Department of Bioengineering, University of Washington, Seattle, WA 98195, Department of Chemical Engineering, University of Washington, Seattle, WA 98195, Institute for Stem Cell and Regenerative Medicine, University of Washington, Seattle, WA 98195, Department of Chemistry, University of Washington, Seattle, WA 98195, Molecular Engineering &, Sciences Institute, University of Washington, Seattle, WA 98195] (ORCID:000000027287209X)","Edman, Natasha I. [Department of Biochemistry, University of Washington, Seattle, WA 98195, Institute for Protein Design, University of Washington, Seattle, WA 98195, Molecular and Cellular Biology Graduate Program, University of Washington, Seattle, WA 98195, Medical Scientist Training Program, University of Washington, Seattle, WA 98195] (ORCID:0000000273157127)","Ahlrichs, Maggie [Department of Biochemistry, University of Washington, Seattle, WA 98195, Institute for Protein Design, University of Washington, Seattle, WA 98195]","Hsia, Yang [Department of Biochemistry, University of Washington, Seattle, WA 98195, Institute for Protein Design, University of Washington, Seattle, WA 98195] (ORCID:0000000174678373)","Sahtoe, Danny D. [Department of Biochemistry, University of Washington, Seattle, WA 98195, Institute for Protein Design, University of Washington, Seattle, WA 98195, HHMI, University of Washington, Seattle, WA 98195] (ORCID:0000000190950744)","Ueda, George [Department of Biochemistry, University of Washington, Seattle, WA 98195, Institute for Protein Design, University of Washington, Seattle, WA 98195] (ORCID:0000000297927149)","Sharma, Alee [College of Professional Studies, Northeastern University, Boston, MA 02115]","Schulman, Rebecca [Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD 21218, Department of Computer Science, Johns Hopkins University, Baltimore, MD 21218]","DeForest, Cole A. [Institute for Protein Design, University of Washington, Seattle, WA 98195, Department of Bioengineering, University of Washington, Seattle, WA 98195, Department of Chemical Engineering, University of Washington, Seattle, WA 98195, Institute for Stem Cell and Regenerative Medicine, University of Washington, Seattle, WA 98195, Department of Chemistry, University of Washington, Seattle, WA 98195] (ORCID:0000000303373577)","Baker, David [Department of Biochemistry, University of Washington, Seattle, WA 98195, Institute for Protein Design, University of Washington, Seattle, WA 98195, HHMI, University of Washington, Seattle, WA 98195] (ORCID:0000000178966217)"],"article_type":"Published Article","doe_contract_number":"DESC0019288","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2309457121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283241"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283241"}]}, {"osti_id":"2278864","title":"Impact of the fluorination degree of ether-based electrolyte solvents on Li-metal battery performance","doi":"10.1039/D3TA05535C","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 5","description":"<p>Electrolytes using fluorinated solvents have proven effective in improving the cycling life of Li-metal batteries, by forming a robust solid–electrolyte interphase through decomposition of anion and fluorinated solvent molecules.<\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"5","journal_volume":"12","format":"Medium: X; Size: p. 2986-2993","authors":["Lin, Yangju [Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA] (ORCID:0000000163787179)","Yu, Zhiao [Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA, Department of Chemistry, Stanford University, Stanford, California 94305, USA] (ORCID:0000000187461640)","Yu, Weilai [Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA] (ORCID:0000000294200702)","Liao, Sheng-Lun [Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA]","Zhang, Elizabeth [Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA, Department of Materials Science and Engineering, Stanford University, Stanford, California 94305, USA]","Guo, Xuelin [Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA]","Huang, Zhuojun [Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA, Department of Materials Science and Engineering, Stanford University, Stanford, California 94305, USA]","Chen, Yuelang [Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA, Department of Chemistry, Stanford University, Stanford, California 94305, USA]","Qin, Jian [Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA] (ORCID:000000016271068X)","Cui, Yi [Department of Materials Science and Engineering, Stanford University, Stanford, California 94305, USA, Department of Energy Science and Engineering, Stanford University, Stanford, California 94305, USA, Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA]","Bao, Zhenan [Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA] (ORCID:0000000209721715)"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2278864"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2278864"}]}, {"osti_id":"2283885","title":"Open-air plasma-assisted deposition of organosilicon coating for corrosion protection of AZ91D Mg alloy","doi":"10.1007/s11998-023-00876-2","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Coatings Technology and Research (JCTR)","description":"As a corrosion barrier layer, open-air plasma-assisted organosilicon coating was applied on AZ91D Mg alloy. Organosilicon-coated AZ91D samples, prepared from two different plasma coating processes, were used for corrosion evaluation based on multistep electrochemical and H<sub>2<\/sub> collection measurements in 3.5 wt% sodium chloride (NaCl) solution. Some coated AZ91D samples were characterized with and without corrosion exposure in NaCl solution using electron microscopies and X-ray chemical analysis techniques. Further, the results indicate that the organosilicon coatings from open-air plasma processes are effective to delay the initiation of corrosion attack and also reduce the corrosion rate for AZ91D substrate. The corrosion attack was considered to develop after permeation of NaCl solution through the coating layer.","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"Springer","journal_name":"Journal of Coatings Technology and Research (JCTR)","format":"Medium: ED","authors":["Jun, Jiheon [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000195005637)","Su, Yi-Feng [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Wade, John E. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Pappas, Daphne [Plasmatreat USA, Inc, Hayward, CA (United States)]","Sy, Andrew [Plasmatreat USA, Inc, Hayward, CA (United States)]","Robinson, Ryan [Plasmatreat USA, Inc, Hayward, CA (United States)]","Lim, Yong Chae [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000321773988)"],"subjects":["magnesium alloy","open-air plasma","organosilicon (silane) coating","corrosion","surface characterization"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1547-0091","other_identifiers":["Journal ID: ISSN 1547-0091"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283885"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283885"}]}, {"osti_id":"2283118","title":"Not even 6 dB: Gaussian quantum illumination in thermal background","report_number":"LA-UR-23-30606","doi":"10.1088/1751-8121/ad1e18","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Physics. A, Mathematical and Theoretical Journal Volume: 57 Journal Issue: 6","description":"<title>Abstract<\/title>\n <p>In analyses of target detection with Gaussian state transmitters in a thermal background, the thermal occupation is taken to depend on the target reflectivity in a way which simplifies the analysis of the symmetric quantum hypothesis testing problem. However, this assumption precludes comparison of target detection performance between an arbitrary transmitter and a vacuum state transmitter, i.e., \"detection without illumination\", which is relevant in a bright thermal background because a target can be detected by its optical shadow or some other perturbation of the background. Using a target-agnostic thermal environment leads to the result that the oft-claimed 6 dB possible reduction in the quantum Chernoff exponent for a two-mode squeezed vacuum transmitter over a coherent state transmitter in high-occupation thermal background is an unachievable limiting value, only occurring in a limit in which the target detection problem is ill-posed. Further analyzing quantum illumination in a target-agnostic thermal environment shows that a weak single-mode squeezed transmitter performs worse than \"no illumination\", which is explained by the noise-increasing property of reflected low-intensity squeezed light.<\/p>","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"IOP Publishing","journal_name":"Journal of Physics. A, Mathematical and Theoretical","journal_issue":"6","journal_volume":"57","format":"Medium: X; Size: Article No. 065301","authors":["Volkoff, T. J. (ORCID:0000000255113913)"],"subjects":["Quantum Information Science and Technology","quantum optics","quantum illumination","quantum information","continuous variables"],"article_type":"Published Article","doe_contract_number":"89233218CNA000001","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"],"journal_issn":"ISSN 1751-8113","other_identifiers":["Journal ID: ISSN 1751-8113"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283118"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283118"}]}, {"osti_id":"2283259","title":"Reading between the (Spectral) Lines: Magellan/IMACS Spectroscopy of the Ultrafaint Dwarf Galaxies Eridanus IV and Centaurus I","doi":"10.3847/1538-4357/ad0cf7","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: The Astrophysical Journal Journal Volume: 961 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n We present a spectroscopic analysis of Eridanus IV (Eri IV) and Centaurus I (Cen I), two ultrafaint dwarf galaxies of the Milky Way. Using IMACS/Magellan spectroscopy, we identify 28 member stars of Eri IV and 34 member stars of Cen I. For Eri IV, we measure a systemic velocity of\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <msub>\n <mrow>\n <mi>v<\/mi>\n <\/mrow>\n <mrow>\n <mi>sys<\/mi>\n <\/mrow>\n <\/msub>\n <mo>=<\/mo>\n <mo>−<\/mo>\n <msubsup>\n <mrow>\n <mn>31.5<\/mn>\n <\/mrow>\n <mrow>\n <mo>−<\/mo>\n <mn>1.2<\/mn>\n <\/mrow>\n <mrow>\n <mo>+<\/mo>\n <mn>1.3<\/mn>\n <\/mrow>\n <\/msubsup>\n <mspace width=\'0.33em\'/>\n <mi>km<\/mi>\n <mspace width=\'0.25em\'/>\n <msup>\n <mrow>\n <mi mathvariant=\'normal\'>s<\/mi>\n <\/mrow>\n <mrow>\n <mo>−<\/mo>\n <mn>1<\/mn>\n <\/mrow>\n <\/msup>\n <\/math>\n <inline-graphic href=\'apjad0cf7ieqn1.gif\' type=\'simple\'/>\n <\/inline-formula>\n , and velocity dispersion\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <msub>\n <mrow>\n <mi>σ<\/mi>\n <\/mrow>\n <mrow>\n <mi>v<\/mi>\n <\/mrow>\n <\/msub>\n <mo>=<\/mo>\n <msubsup>\n <mrow>\n <mn>6.1<\/mn>\n <\/mrow>\n <mrow>\n <mo>−<\/mo>\n <mn>0.9<\/mn>\n <\/mrow>\n <mrow>\n <mo>+<\/mo>\n <mn>1.2<\/mn>\n <\/mrow>\n <\/msubsup>\n <mspace width=\'0.33em\'/>\n <mi>km<\/mi>\n <mspace width=\'0.25em\'/>\n <msup>\n <mrow>\n <mi mathvariant=\'normal\'>s<\/mi>\n <\/mrow>\n <mrow>\n <mo>−<\/mo>\n <mn>1<\/mn>\n <\/mrow>\n <\/msup>\n <\/math>\n <inline-graphic href=\'apjad0cf7ieqn2.gif\' type=\'simple\'/>\n <\/inline-formula>\n . Additionally, we measure the metallicities of 16 member stars of Eri IV. We find a metallicity of\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <mo stretchy=\'false\'>[<\/mo>\n <mi>Fe<\/mi>\n <mrow>\n <mo stretchy=\'true\'>/<\/mo>\n <\/mrow>\n <mi mathvariant=\'normal\'>H<\/mi>\n <mo stretchy=\'false\'>]<\/mo>\n <mo>=<\/mo>\n <mo>−<\/mo>\n <msubsup>\n <mrow>\n <mn>2.87<\/mn>\n <\/mrow>\n <mrow>\n <mo>−<\/mo>\n <mn>0.07<\/mn>\n <\/mrow>\n <mrow>\n <mo>+<\/mo>\n <mn>0.08<\/mn>\n <\/mrow>\n <\/msubsup>\n <\/math>\n <inline-graphic href=\'apjad0cf7ieqn3.gif\' type=\'simple\'/>\n <\/inline-formula>\n , and resolve a dispersion of\n <italic>σ<\/italic>\n <sub>[Fe/H]<\/sub>\n =0.20 ± 0.09. The mean metallicity is marginally lower than all other known ultrafaint dwarf galaxies, making it one of the most metal-poor galaxies discovered thus far. Eri IV also has a somewhat unusual right-skewed metallicity distribution. For Cen I, we find a velocity\n <italic>v<\/italic>\n <sub>sys<\/sub>\n = 44.9 ± 0.8 km s\n <sup>−1<\/sup>\n , and velocity dispersion\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <msub>\n <mrow>\n <mi>σ<\/mi>\n <\/mrow>\n <mrow>\n <mi>v<\/mi>\n <\/mrow>\n <\/msub>\n <mo>=<\/mo>\n <msubsup>\n <mrow>\n <mn>4.2<\/mn>\n <\/mrow>\n <mrow>\n <mo>−<\/mo>\n <mn>0.5<\/mn>\n <\/mrow>\n <mrow>\n <mo>+<\/mo>\n <mn>0.6<\/mn>\n <\/mrow>\n <\/msubsup>\n <mspace width=\'0.33em\'/>\n <mi>km<\/mi>\n <mspace width=\'0.25em\'/>\n <msup>\n <mrow>\n <mi mathvariant=\'normal\'>s<\/mi>\n <\/mrow>\n <mrow>\n <mo>−<\/mo>\n <mn>1<\/mn>\n <\/mrow>\n <\/msup>\n <\/math>\n <inline-graphic href=\'apjad0cf7ieqn4.gif\' type=\'simple\'/>\n <\/inline-formula>\n . We measure the metallicities of 27 member stars of Cen I, and find a mean metallicity [Fe/H] = −2.57 ± 0.08, and metallicity dispersion\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <msub>\n <mrow>\n <mi>σ<\/mi>\n <\/mrow>\n <mrow>\n <mo stretchy=\'false\'>[<\/mo>\n <mi>Fe<\/mi>\n <mrow>\n <mo stretchy=\'true\'>/<\/mo>\n <\/mrow>\n <mi mathvariant=\'normal\'>H<\/mi>\n <mo stretchy=\'false\'>]<\/mo>\n <\/mrow>\n <\/msub>\n <mo>=<\/mo>\n <msubsup>\n <mrow>\n <mn>0.38<\/mn>\n <\/mrow>\n <mrow>\n <mo>−<\/mo>\n <mn>0.05<\/mn>\n <\/mrow>\n <mrow>\n <mo>+<\/mo>\n <mn>0.07<\/mn>\n <\/mrow>\n <\/msubsup>\n <\/math>\n <inline-graphic href=\'apjad0cf7ieqn5.gif\' type=\'simple\'/>\n <\/inline-formula>\n . We calculate the systemic proper motion, orbit, and the astrophysical J-factor for each system, the latter of which indicates that Eri IV is a good target for indirect dark matter detection. We also find no strong evidence for tidal stripping of Cen I or Eri IV. Overall, our measurements confirm that Eri IV and Cen I are dark-matter-dominated galaxies with properties largely consistent with other known ultrafaint dwarf galaxies. The low metallicity, right-skewed metallicity distribution, and high J-factor make Eri IV an especially interesting candidate for further follow-up.\n <\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"American Astronomical Society","journal_name":"The Astrophysical Journal","journal_issue":"2","journal_volume":"961","format":"Medium: X; Size: Article No. 234","authors":["Heiger, M. E. (ORCID:0000000224468332)","Li, T. S. (ORCID:0000000291106163)","Pace, A. B. (ORCID:0000000260218760)","Simon, J. D. (ORCID:0000000247334994)","Ji, A. P. (ORCID:0000000248638842)","Chiti, A. (ORCID:000000027155679X)","Bom, C. R. (ORCID:0000000343832969)","Carballo-Bello, J. A. (ORCID:000000023690105X)","Carlin, J. L. (ORCID:0000000239369628)","Cerny, W. (ORCID:0000000316977062)","Choi, Y. (ORCID:0000000316801884)","Drlica-Wagner, A. (ORCID:000000018251933X)","James, D. J. (ORCID:0000000151604486)","Martínez-Vázquez, C. E. (ORCID:0000000291447726)","Medina, G. E. (ORCID:0000000301059576)","Mutlu-Pakdil, B. (ORCID:0000000196494815)","Navabi, M. (ORCID:0000000194385228)","Noël, N. E. D. (ORCID:000000028282469X)","Sakowska, J. D. (ORCID:0000000215941466)","Stringfellow, G. S. (ORCID:0000000314793059)","(DELVE Collaboration)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-637X","other_identifiers":["Journal ID: ISSN 0004-637X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283259"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283259"}]}, {"osti_id":"2301769","title":"Solid-state sodium batteries with P2-type Mn-based layered oxides by utilizing anionic redox","doi":"10.1039/D3TA05790A","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Journal of Materials Chemistry. A Journal Volume: 12 Journal Issue: 5","description":"<p>\n Solid-state sodium-metal batteries assembled with a composite solid-electrolyte separator and Na\n <sub>0.72<\/sub>\n Li\n <sub>0.24<\/sub>\n Mn\n <sub>0.75<\/sub>\n Si\n <sub>0.01<\/sub>\n O\n <sub>2<\/sub>\n cathode, utilizing reversible cationic (Mn) and anionic (O) redox, achieve high initial specific capacity of 180 mA h g\n <sup>−1<\/sup>\n .\n <\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"Journal of Materials Chemistry. A","journal_issue":"5","journal_volume":"12","format":"Medium: X; Size: p. 3006-3013","authors":["Kmiec, Steven [Materials Science and Engineering Program & Texas Materials Institute, The University of Texas at Austin, Austin, TX 78712, USA] (ORCID:000000020005678X)","Vanaphuti, Panawan [Materials Science and Engineering Program & Texas Materials Institute, The University of Texas at Austin, Austin, TX 78712, USA] (ORCID:0000000281521339)","Manthiram, Arumugam [Materials Science and Engineering Program & Texas Materials Institute, The University of Texas at Austin, Austin, TX 78712, USA] (ORCID:0000000302379563)"],"article_type":"Published Article","doe_contract_number":"SC0005397","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2050-7488","other_identifiers":["Journal ID: ISSN 2050-7488; JMCAET"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301769"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301769"}]}, {"osti_id":"2283478","title":"Photolysis of Dissolved Organic Matter over Hematite Nanoplatelets","doi":"10.1021/acs.est.3c08752","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Environmental Science and Technology Journal Volume: 58 Journal Issue: 6","description":"Solar photoexcitation of chromophoric groups in dissolved organic matter (DOM), when coupled to photoreduction of ubiquitous Fe(III)-oxide nanoparticles, can significantly accelerate DOM degradation in near-surface terrestrial systems, but the mechanisms of these reactions remain elusive. We examined the photolysis of chromophoric soil DOM coated onto hematite nanoplatelets featuring (001) exposed facets using a combination of molecular spectroscopies and density functional theory (DFT) computations. Reactive oxygen species (ROS) probed by electron paramagnetic resonance (EPR) spectroscopy revealed that both singlet oxygen and superoxide are the predominant ROS responsible for DOM degradation. DFT calculations confirmed that Fe(II) on the hematite (001) surface, created by interfacial electron transfer from photoexcited chromophores in DOM, can reduce dioxygen molecules to superoxide radicals (•O<sub>2<\/sub><sup>–<\/sup>) through a one-electron transfer process. <sup>1<\/sup>H nuclear magnetic resonance (NMR) and electrospray ionization Fouriertransform ion cyclotron resonance mass spectrometry (ESI-FTICR-MS) spectroscopies show that the association of DOM with hematite enhances the cleavage of aromatic groups during photodegradation. The findings point to a pivotal role for organic matter at the interface that guides specific ROS generation and the subsequent photodegradation process, as well as the prospect of using ROS signatures as a forensic tool to help interpret more complicated field-relevant systems.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"American Chemical Society","journal_name":"Environmental Science and Technology","journal_issue":"6","journal_volume":"58","format":"Medium: X; Size: p. 2798-2807","authors":["Huang, Xiaopeng [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States, Civil and Environmental Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States, Center for Environmental Implications of Nano Technology (CEINT), Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States] (ORCID:0000000166067468)","Song, Duo [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States] (ORCID:0000000251367959)","Zhao, Qian [Earth and Biological Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States] (ORCID:0000000344893691)","Young, Robert P. [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States] (ORCID:0000000226869594)","Chen, Ying [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States] (ORCID:0000000174170991)","Walter, Eric D. [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States] (ORCID:0000000336445514)","Lahiri, Nabajit [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States] (ORCID:0000000311372240)","Taylor, Sandra D. [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States] (ORCID:0000000311175829)","Wang, Zheming [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States]","Hofmockel, Kirsten S. [Earth and Biological Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States]","Rosario-Ortiz, Fernando [Department of Civil, Environmental, and Architectural Engineering, University of Colorado, Boulder, Boulder, Colorado 80309-0607, United States, Environmental Engineering Program, University of Colorado, Boulder, Boulder, Colorado 80309-0428, United States] (ORCID:0000000233119089)","Lowry, Gregory V. [Civil and Environmental Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States, Center for Environmental Implications of Nano Technology (CEINT), Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States] (ORCID:000000018599008X)","Rosso, Kevin M. [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States] (ORCID:0000000284747720)"],"subjects":["54 ENVIRONMENTAL SCIENCES","dissolved organic matter","hematite","reactive oxygen species","photodegradation","interfacial electron transfer","electron paramagnetic resonance spectroscopy","free radicals","light"],"article_type":"Published Article","doe_contract_number":"FWP 68292; FWP #56674; AC05-76RL01830","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)","USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"],"orgs_research":[{"name":"Carnegie Mellon Univ., Pittsburgh, PA (United States)"}],"research_orgs":["Carnegie Mellon Univ., Pittsburgh, PA (United States)"],"journal_issn":"ISSN 0013-936X","other_identifiers":["Journal ID: ISSN 0013-936X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283478"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283478"}]}, {"osti_id":"2283268","title":"Reexpansion of charged nanoparticle assemblies in concentrated electrolytes","doi":"10.1073/pnas.2316537121","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 121 Journal Issue: 6","description":"<p>\n Electrostatic forces in solutions are highly relevant to a variety of fields, ranging from electrochemical energy storage to biology. However, their manifestation in concentrated electrolytes is not fully understood, as exemplified by counterintuitive observations of colloidal stability and long-ranged repulsions in molten salts. Highly charged biomolecules, such as DNA, respond sensitively to ions in dilute solutions. Here, we use non-base-pairing DNA-coated nanoparticles (DNA-NP) to analyze electrostatic interactions in concentrated salt solutions. Despite their negative charge, these conjugates form colloidal crystals in solutions of sufficient divalent cation concentration. We utilize small-angle X-ray scattering (SAXS) to study such DNA-NP assemblies across the full accessible concentration ranges of aqueous CaCl\n <sub>2<\/sub>\n , MgCl\n <sub>2<\/sub>\n , and SrCl\n <sub>2<\/sub>\n solutions. SAXS shows that the crystallinity and phases of the assembled structures vary with cation type. For all tested salts, the aggregates contract with added ions at low salinities and then begin expanding above a cation-dependent threshold salt concentration. Wide-angle X-ray scattering (WAXS) reveals enhanced positional correlations between ions in the solution at high salt concentrations. Complementary molecular dynamics simulations show that these ion–ion interactions reduce the favorability of dense ion configurations within the DNA brushes below that of the bulk solution. Measurements in solutions with lowered permittivity demonstrate a simultaneous increase in ion coupling and decrease in the concentration at which aggregate expansion begins, thus confirming the connection between these phenomena. Our work demonstrates that interactions between charged objects continue to evolve considerably into the high-concentration regime, where classical theories project electrostatics to be of negligible consequence.\n <\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Proceedings of the National Academy of Sciences","journal_name":"Proceedings of the National Academy of Sciences of the United States of America","journal_issue":"6","journal_volume":"121","format":"Medium: X","authors":["Reinertsen, Roger J. E. [Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208] (ORCID:0000000328692961)","Kewalramani, Sumit [Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208] (ORCID:0000000169200922)","Jiménez-Ángeles, Felipe [Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208] (ORCID:0000000194736892)","Weigand, Steven J. [DuPont-Northwestern-Dow Collaborative Access Team, Northwestern University Synchrotron Research Center, Advanced Photon Source, Argonne, IL 60439]","Bedzyk, Michael J. [Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208, Department of Physics and Astronomy, Northwestern University, Evanston, IL 60208] (ORCID:0000000210264558)","Olvera de la Cruz, Monica [Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208, Department of Physics and Astronomy, Northwestern University, Evanston, IL 60208, Department of Chemical and Biological Engineering, Northwestern University, Evanston, IL 60208, Department of Chemistry, Northwestern University, Evanston, IL 60208] (ORCID:0000000298023627)"],"article_type":"Published Article","doe_contract_number":"FG02-08ER46539","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0027-8424","other_identifiers":["Journal ID: ISSN 0027-8424; e2316537121"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283268"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283268"}]}, {"osti_id":"2283258","title":"Chamber studies of OH + dimethyl sulfoxide and dimethyl disulfide: insights into the dimethyl sulfide oxidation mechanism","doi":"10.5194/acp-24-1299-2024","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Atmospheric Chemistry and Physics (Online) Journal Volume: 24 Journal Issue: 2","description":"<p>Abstract. The oxidation of dimethyl sulfide (DMS) in the marine atmosphere represents an important natural source of non-sea-salt sulfate aerosol, but the chemical mechanisms underlying this process remain uncertain. While recent studies have focused on the role of the peroxy radical isomerization channel in DMS oxidation, this work revisits the impact of the other channels (OH addition and OH abstraction followed by bimolecular RO2 reaction) on aerosol formation from DMS. Due to the presence of common intermediate species, the oxidation of dimethyl sulfoxide (DMSO) and dimethyl disulfide (DMDS) can shed light on these two DMS reaction channels; they are also both atmospherically relevant species in their own right. This work examines the OH oxidation of DMSO and DMDS, using chamber experiments monitored by chemical ionization mass spectrometry and aerosol mass spectrometry to study the full range of sulfur-containing products across a range of NO concentrations. The oxidation of both compounds is found to lead to rapid aerosol formation (which does not involve the intermediate formation of SO2), with a substantial fraction (14 %–47 % S yield for DMSO and 5 %–21 % for DMDS) of reacted sulfur ending up in the particle phase and the highest yields observed under elevated NO conditions. Aerosol is observed to consist mainly of sulfate, methanesulfonic acid, and methanesulfinic acid. In the gas phase, the NOx dependence of several products, including SO2 and S2-containing organosulfur species, suggest reaction pathways not included in current mechanisms. Based on the commonalities with the DMS oxidation mechanism, DMSO and DMDS results are used to reconstruct DMS aerosol yields; these reconstructions roughly match DMS aerosol yield measurements from the literature but differ in composition, underscoring remaining uncertainties in sulfur chemistry. This work indicates that both the abstraction and addition channels contribute to rapid aerosol formation from DMS and highlights the need for more study into the fate of small sulfur radical intermediates (e.g., CH3S, CH3SO2, and CH3SO3) that are thought to play central roles in the DMS oxidation mechanism.<\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-01T00:00:00Z","publisher":"Copernicus GmbH","journal_name":"Atmospheric Chemistry and Physics (Online)","journal_issue":"2","journal_volume":"24","format":"Medium: X; Size: p. 1299-1314","authors":["Goss, Matthew B. (ORCID:0000000226885463)","Kroll, Jesse H. (ORCID:000000026275521X)"],"article_type":"Published Article","doe_contract_number":"SC0022017","subjects":[],"orgs_sponsor":[{"name":"USDOE Office of Science (SC), Biological and Environmental Research (BER)"}],"sponsor_orgs":["USDOE Office of Science (SC), Biological and Environmental Research (BER)"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1680-7324","other_identifiers":["Journal ID: ISSN 1680-7324"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283258"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283258"}]}, {"osti_id":"2294098","title":"<sup>151<\/sup>Eu Mössbauer study of magnetic ordering in flux-grown ferromagnetic and antiferromagnetic forms of EuCd<sub>2<\/sub>As<sub>2<\/sub>","report_number":"IS-J-11,254","doi":"10.1063/9.0000623","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: AIP Advances; Journal Volume: 14; Journal Issue: 2; Conference: 68. Annual Conference on Magnetism and Magnetic Materials, Dallas, TX (United States), 30 Oct - 3 Nov 2023; Related Information: https://pubs.aip.org/adv/collection/364836/68th-Annual-Conference-on-Magnetism-and-Magnetic","description":"EuCd<sub>2<\/sub>As<sub>2<\/sub> is a remarkably complex magnetic semimetal that may behave as a topological insulator or host two pairs of Weyl points, depending on the growth conditions and the final magnetic state. Both antiferromagnetic (AFM) and ferromagnetic (FM) forms have been grown, and we show here, using <sup>151<\/sup>Eu Mössbauer spectroscopy, that the differences between the AFM and FM forms extend well beyond their ground state magnetic structures. Whereas the AFM form undergoes a conventional AFM → paramagnetic transition on warming, the FM form passes through a complex incommensurate modulated state before becoming paramagnetic.","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-15T00:00:00Z","publisher":"American Institute of Physics (AIP)","journal_name":"AIP Advances","journal_issue":"2","journal_volume":"14","format":"Medium: ED; Size: Article No. 025003","authors":["Ryan, D. H. [McGill Univ., Montreal, QC (Canada)] (ORCID:0000000338581894)","Jo, Na Hyun [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States); Univ. of Michigan, Ann Arbor, MI (United States)] (ORCID:0000000340656429)","Kuthanazhi, Brinda [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)] (ORCID:000900010121580X)","Bud’ko, Sergey L. [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)] (ORCID:0000000236035585)","Canfield, Paul C. [Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)] (ORCID:0000000277150643)"],"subjects":["36 MATERIALS SCIENCE"],"article_type":"Accepted Manuscript","doe_contract_number":"AC02-07CH11358","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 2158-3226","other_identifiers":["Journal ID: ISSN 2158-3226"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2294098"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2294098"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2294098"}]}, {"osti_id":"2301781","title":"Momentum power spectrum of SDSS galaxies by massE cosmic ruler: 2.1×improvement in measure of growth rate","doi":"10.1093/mnras/stae274","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Monthly Notices of the Royal Astronomical Society Journal Volume: 528 Journal Issue: 3","description":"<title>ABSTRACT<\/title>\n <p>Peculiar motion of galaxies probes the structure growth in the universe. In this study, we employ the galaxy stellar mass-binding energy (massE) relation with only two nuisance parameters to build the largest peculiar-velocity (PV) catalogue to date, consisting of 229 890 ellipticals from the main galaxy sample (MGS) of the Sloan Digital Sky Survey (SDSS). We quantify the distribution of the massE-based distances in individual narrow redshift bins (dz = 0.005), and then estimate the PV of each galaxy based on its offset from the Gaussian mean of the distribution. As demonstrated with the Uchuu-SDSS mock data, the derived PV and momentum power spectra are insensitive to accurate calibration of the massE relation itself, enabling measurements out to a redshift of 0.2, well beyond the current limit of z = 0.1 using other galaxy scaling laws. We then measure the momentum power spectrum and demonstrate that it remains almost unchanged if varying significantly the redshift bin size within which the distance is measured, as well as the intercept and slope of the massE relation, respectively. By fitting the spectra using the perturbation theory model with four free parameters, fσ8 is constrained to fσ8 = 0.459$^{+0.068}_{-0.069}$ over Δz = 0.02–0.2, 0.416$^{+0.074}_{-0.076}$ over Δz = 0.02–0.1, and 0.526$^{+0.133}_{-0.148}$ over Δz = 0.1–0.2. The error of fσ8 is 2.1 times smaller than that by the redshift space distortion (RSD) of the same sample. A Fisher matrix forecast illustrates that the constraint on fσ8 from the massE-based PV can potentially exceed that from the stage-IV RSD in late universe (z<0.5).<\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"Oxford University Press","journal_name":"Monthly Notices of the Royal Astronomical Society","journal_issue":"3","journal_volume":"528","format":"Medium: X; Size: p. 4922-4940","authors":["Shi, Yong (ORCID:0000000286146275)","Zhang, Pengjie","Mao, Shude","Gu, Qiusheng"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0035-8711","other_identifiers":["Journal ID: ISSN 0035-8711"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2301781"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2301781"}]}, {"osti_id":"2283253","title":"The Impact of Radiative Transfer at Reduced Spectral Resolution in Large‐Eddy Simulations of Convective Clouds","doi":"10.1029/2023MS003699","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Advances in Modeling Earth Systems Journal Volume: 16 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Many radiative transfer schemes approximate the spectral integration over ∼10\n <sup>5<\/sup>\n to ∼10\n <sup>6<\/sup>\n wavelengths with correlated\n <italic>k<\/italic>\n ‐distributions methods that typically require only 10\n <sup>1<\/sup>\n –10\n <sup>2<\/sup>\n spectral integration points (\n <italic>g<\/italic>\n ‐points). The exact number of\n <italic>g<\/italic>\n ‐points is then chosen as an optimal balance between computational costs and accuracy, normally assessed in terms of a number of radiative quantities. How this radiative accuracy propagates to simulation accuracy, however, is not straightforward. In this study, we therefore explore the sensitivity of cloud properties in large‐eddy simulations (LES) to the accuracy of radiative fluxes and heating rates. We first generate smaller sets of\n <italic>g<\/italic>\n ‐points from existing\n <italic>k<\/italic>\n ‐distributions by repeatedly combining adjacent\n <italic>g<\/italic>\n ‐points while maintaining the highest possible accuracy on a chosen set of radiative metrics. Next, we perform three sets of LES with varying cloud—radiation coupling pathways, and therefore different requirements for the accuracy of the radiative transfer computations, to investigate how these smaller and thus less accurate\n <italic>k<\/italic>\n ‐distributions affect simulation characteristics. The decrease in radiative accuracy with 3–4 times smaller\n <italic>k<\/italic>\n ‐distributions results in biases in cloud properties that are relative small compared to their temporal fluctuations. These results show potential for speeding up radiative transfer computations in cloud‐resolving models by reducing the resolved spectral detail. However, more statistically converged simulations and a wider set of case studies is required to fully assess the robustness of our results.\n <\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"American Geophysical Union (AGU)","journal_name":"Journal of Advances in Modeling Earth Systems","journal_issue":"2","journal_volume":"16","format":"Medium: X","authors":["Veerman, M. A. [Meteorology and Air Quality Group Wageningen University &, Research Wageningen The Netherlands] (ORCID:0000000248693948)","Pincus, R. [Lamont‐Doherty Earth Observatory Columbia University, New York Palisades NY USA] (ORCID:0000000200163470)","Mlawer, E. J. [Atmospheric and Environmental Research Lexington MA USA] (ORCID:0000000179624307)","van Heerwaarden, C. C. [Meteorology and Air Quality Group Wageningen University &, Research Wageningen The Netherlands] (ORCID:0000000172023525)"],"article_type":"Published Article","doe_contract_number":"SC0021262","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1942-2466","other_identifiers":["Journal ID: ISSN 1942-2466; e2023MS003699"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283253"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283253"}]}, {"osti_id":"2283475","title":"Continuous Topological Transition and Bandgap Tuning in Ethynylene-Linked Acene π-Conjugated Polymers through Mechanical Strain","doi":"10.1021/acs.chemmater.3c02547","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Chemistry of Materials Journal Volume: 36 Journal Issue: 3","description":"By variation of the chemical repeat units of conjugated polymers, only discrete tuning of essential physical parameters is possible. A unique property of a class of π-conjugated polymers, where polycyclic aromatic hydrocarbons are linked via ethynylene linkers, is their topological aromatic to quinoid phase transition discovered recently by Cirera et al. and González-Herrero et al., which is controllable in discrete steps by chemical variations. We have discovered by means of density functional theory computations that such a phase transition can be achieved by applying continuous variations of longitudinal strain, allowing us to tune the bond length alternation and bandgap. At a specific strain value, the bandgap becomes zero due to an orbital level crossing between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO). Our hypothesis provides a perspective on the design of organic electronic materials and provides a novel insight into the properties of a continuous phase transition in topological semiconducting polymers.","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-14T00:00:00Z","publisher":"American Chemical Society","journal_name":"Chemistry of Materials","journal_issue":"3","journal_volume":"36","format":"Medium: X; Size: p. 1395-1404","authors":["Bhattacharjee, Rameswar [Department of Chemistry, Georgetown University, Washington, District of Columbia 20057, United States] (ORCID:0000000266315991)","Kertesz, Miklos [Department of Chemistry, Georgetown University, Washington, District of Columbia 20057, United States] (ORCID:0000000279303260)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Aromatic compounds","Electrical conductivity","Energy","Phase transitions","Polymers"],"article_type":"Published Article","doe_contract_number":"SC-0019017; SC0019017","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Georgetown Univ., Washington, DC (United States)"}],"research_orgs":["Georgetown Univ., Washington, DC (United States)"],"journal_issn":"ISSN 0897-4756","other_identifiers":["Journal ID: ISSN 0897-4756"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283475"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283475"}]}, {"osti_id":"2290318","title":"Atomic-level mechanisms of short-circuit diffusion in materials","report_number":"LA-UR-23-27145","doi":"10.1515/ijmr-2023-0202","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: International Journal of Materials Research","description":"This paper reviews the recent progress in understanding the atomic mechanisms of short-circuit diffusion along materials interfaces, such as grain and interphase boundaries, as well as lattice and interfacial dislocations/disconnections. Recent atomistic computer simulations have shown that short-circuit diffusion is dominated by collective atomic rearrangements in the form of strings and rings of mobile atoms. The process is dynamically heterogeneous in space and time and has many features in common with atomic dynamics in supercooled glass-forming liquids. We discuss examples of grain boundary, interphase boundary, and dislocation diffusion in metals and alloys, including the solute effect on the diffusion rates and mechanisms. Interphase boundaries are exemplified by Al–Si interfaces with diverse orientation relationships and atomic structures. The hierarchy of short-circuit diffusion paths in materials is reviewed by comparing the rates of grain boundary, interphase boundary, and dislocation diffusion. Future directions in the field of short-circuit diffusion in defect core regions are discussed.","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Carl Hanser Verlag","journal_name":"International Journal of Materials Research","format":"Medium: ED","authors":["Chesser, Ian [George Mason University, Fairfax, VA (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)]","Koju, Raj K. [George Mason University, Fairfax, VA (United States)]","Mishin, Yuri [George Mason University, Fairfax, VA (United States)]"],"subjects":["36 MATERIALS SCIENCE","diffusion","grain boundary","phase boundary","dislocation","atomistic simulation"],"article_type":"Accepted Manuscript","doe_contract_number":"89233218CNA000001; SC0023102","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"},{"name":"George Mason Univ., Fairfax, VA (United States)"}],"research_orgs":["Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)","George Mason Univ., Fairfax, VA (United States)"],"journal_issn":"ISSN 1862-5282","other_identifiers":["Journal ID: ISSN 1862-5282"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2290318"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2290318"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2290318"}]}, {"osti_id":"2283481","title":"Reinforcement learning applied to dilute combustion control for increased fuel efficiency","doi":"10.1177/14680874241226580","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: International Journal of Engine Research","description":"To reduce the modeling burden for control of spark-ignition engines, reinforcement learning (RL) has been applied to solve the dilute combustion limit problem. Q-learning was used to identify an optimal control policy to adjust the fuel injection quantity in each combustion cycle. A physics-based model was used to determine the relevant states of the system used for training the control policy in a data-efficient manner. The cost function was chosen such that high cycle-to-cycle variability (CCV) at the dilute limit was minimized while maintaining stoichiometric combustion as much as possible. Experimental results demonstrated a reduction of CCV after the training period with slightly lean combustion, contributing to a net increase in fuel conversion efficiency of 1.33%. To ensure stoichiometric combustion for three-way catalyst compatibility, a second feedback loop based on an exhaust oxygen sensor was incorporated into the fuel quantity controller using a slow proportional-integral (PI) controller. The closed-loop experiments showed that both feedback loops can cooperate effectively, maintaining stoichiometric combustion while reducing combustion CCV and increasing fuel conversion efficiency by 1.09%. Finally, a modified cost function was proposed to ensure stoichiometric combustion with a single controller. In addition, the learning period was shortened by half to evaluate the RL algorithm performance on limited training time. In conclusion, experimental results showed that the modified cost function could achieve the desired CCV targets, however, the learning time was reduced by half and the fuel conversion efficiency increased only by 0.30%.","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"SAGE Publications","journal_name":"International Journal of Engine Research","format":"Medium: X","authors":["Maldonado, Bryan P. [Buildings and Transportation Science Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA] (ORCID:0000000338800065)","Kaul, Brian C. [Buildings and Transportation Science Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA] (ORCID:0000000184813620)","Schuman, Catherine D. [Department of Electrical Engineering and Computer Science, University of Tennessee, Knoxville, TN, USA]","Young, Steven R. [Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA]"],"subjects":["Internal combustion engines","Reinforcement learning","Fuel efficiency","Real-time learning"],"article_type":"Published Article","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1468-0874","other_identifiers":["Journal ID: ISSN 1468-0874; 14680874241226580"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283481"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283481"}]}, {"osti_id":"2251529","title":"Electron transfer between neptunium and sodium chlorite in acidic chloride media","doi":"10.1039/D3NJ03730D","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: New Journal of Chemistry Journal Volume: 48 Journal Issue: 5","description":"<p>\n Redox chemistry between Np\n <sup>4+<\/sup>\n <sub>(aq)<\/sub>\n and NaClO\n <sub>2(aq)<\/sub>\n can be controlled as a function of neptunium\n <italic>vs.<\/italic>\n NaClO\n <sub>2(aq)<\/sub>\n , Cl\n <sup>1−<\/sup>\n <sub>(aq)<\/sub>\n , and H\n <sup>1+<\/sup>\n <sub>(aq)<\/sub>\n concentrations. Certain chemical environments held Np\n <sup>4+<\/sup>\n <sub>(aq)<\/sub>\n in the +4 oxidation state. Other chemical environments generated NpO\n <sub>2<\/sub>\n <sup>1+<\/sup>\n <sub>(aq)<\/sub>\n and/or NpO\n <sub>2<\/sub>\n <sup>2+<\/sup>\n <sub>(aq)<\/sub>\n .\n <\/p>","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-01-30T00:00:00Z","publisher":"Royal Society of Chemistry (RSC)","journal_name":"New Journal of Chemistry","journal_issue":"5","journal_volume":"48","format":"Medium: X; Size: p. 1907-1918","authors":["Arko, Brian T. [Los Alamos National Laboratory, Los Alamos, NM 87545, USA, Department of Chemistry, Colorado School of Mines, Golden, CO 90401, USA] (ORCID:0000000292688839)","Dan, David [Los Alamos National Laboratory, Los Alamos, NM 87545, USA]","Adelman, Sara L. [Los Alamos National Laboratory, Los Alamos, NM 87545, USA] (ORCID:0000000179893451)","Kimball, David B. [Los Alamos National Laboratory, Los Alamos, NM 87545, USA] (ORCID:0000000281750000)","Kozimor, Stosh A. [Los Alamos National Laboratory, Los Alamos, NM 87545, USA] (ORCID:0000000173870507)","Shafer, Jenifer C. [Department of Chemistry, Colorado School of Mines, Golden, CO 90401, USA] (ORCID:0000000197021534)"],"article_type":"Published Article","doe_contract_number":"2022LANLE3M1; SC0020189","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1144-0546","other_identifiers":["Journal ID: ISSN 1144-0546; NJCHE5"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2251529"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2251529"}]}, {"osti_id":"2283255","title":"Establishing performance metrics for quantitative non-targeted analysis: a demonstration using per- and polyfluoroalkyl substances","doi":"10.1007/s00216-023-05117-4","product_type":"Journal Article","language":"English","country_publication":"Germany","relation":"Journal Name: Analytical and Bioanalytical Chemistry Journal Volume: 416 Journal Issue: 5","description":"<title>Abstract<\/title>\n <p>\n Non-targeted analysis (NTA) is an increasingly popular technique for characterizing undefined chemical analytes. Generating quantitative NTA (qNTA) concentration estimates requires the use of training data from calibration “surrogates,” which can yield diminished predictive performance relative to targeted analysis. To evaluate performance differences between targeted and qNTA approaches, we defined new metrics that convey predictive accuracy, uncertainty (using 95% inverse confidence intervals), and reliability (the extent to which confidence intervals contain true values). We calculated and examined these newly defined metrics across five quantitative approaches applied to a mixture of 29 per- and polyfluoroalkyl substances (PFAS). The quantitative approaches spanned a traditional targeted design using chemical-specific calibration curves to a generalizable qNTA design using bootstrap-sampled calibration values from “global” chemical surrogates. As expected, the targeted approaches performed best, with major benefits realized from matched calibration curves and internal standard correction. In comparison to the benchmark targeted approach, the most generalizable qNTA approach (using “global” surrogates) showed a decrease in accuracy by a factor of ~4, an increase in uncertainty by a factor of ~1000, and a decrease in reliability by ~5%, on average. Using “expert-selected” surrogates (\n <italic>n<\/italic>\n = 3) instead of “global” surrogates (\n <italic>n<\/italic>\n = 25) for qNTA yielded improvements in predictive accuracy (by ~1.5×) and uncertainty (by ~70×) but at the cost of further-reduced reliability (by ~5%). Overall, our results illustrate the utility of qNTA approaches for a subclass of emerging contaminants and present a framework on which to develop new approaches for more complex use cases.\n <\/p>\n <p>\n <bold>Graphical Abstract<\/bold>\n <\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-09T00:00:00Z","publisher":"Springer Science + Business Media","journal_name":"Analytical and Bioanalytical Chemistry","journal_issue":"5","journal_volume":"416","format":"Medium: X; Size: p. 1249-1267","authors":["Pu, Shirley (ORCID:0000000201223797)","McCord, James P. (ORCID:0000000217804916)","Bangma, Jacqueline","Sobus, Jon R. (ORCID:0000000307406604)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 1618-2642","other_identifiers":["Journal ID: ISSN 1618-2642; PII: 5117"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283255"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283255"}]}, {"osti_id":"2311878","title":"Mechanistically Guided Materials Chemistry: Synthesis of Ternary Nitrides, CaZrN<sub>2<\/sub> and CaHfN<sub>2<\/sub>","report_number":"NREL/JA-5K00-87938","doi":"10.1021/jacs.3c12114","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of the American Chemical Society; Journal Volume: 146; Journal Issue: 6","description":"Recent computational studies have predicted many new ternary nitrides, revealing synthetic opportunities in this underexplored phase space. However, synthesizing new ternary nitrides is difficult, in part because intermediate and product phases often have high cohesive energies that inhibit diffusion. Here, we report the synthesis of two new phases, calcium zirconium nitride (CaZrN<sub>2<\/sub>) and calcium hafnium nitride (CaHfN<sub>2<\/sub>), by solid state metathesis reactions between Ca<sub>3<\/sub>N2 and MCl<sub>4<\/sub> (M = Zr, Hf). Although the reaction nominally proceeds to the target phases in a 1:1 ratio of the precursors via Ca<sub>3<\/sub>N<sub>2<\/sub> + MCl4 → CaMN<sub>2<\/sub> + 2 CaCl<sub>2<\/sub>, reactions prepared this way result in Ca-poor materials (Ca<sub>x<\/sub>M<sub>2–x<\/sub>N2, x < 1). A small excess of Ca<sub>3<\/sub>N<sub>2<\/sub> (ca. 20 mol %) is needed to yield stoichiometric CaMN<sub>2<\/sub>, as confirmed by high-resolution synchrotron powder X-ray diffraction. In situ synchrotron X-ray diffraction studies reveal that nominally stoichiometric reactions produce Zr<sup>3+<\/sup> intermediates early in the reaction pathway, and the excess Ca<sub>3<\/sub>N<sub>2<\/sub> is needed to reoxidize Zr<sup>3+<\/sup> intermediates back to the Zr<sup>4+<\/sup> oxidation state of CaZrN<sub>2<\/sub>. Analysis of computationally derived chemical potential diagrams rationalizes this synthetic approach and its contrast from the synthesis of MgZrN<sub>2<\/sub>. These findings additionally highlight the utility of in situ diffraction studies and computational thermochemistry to provide mechanistic guidance for synthesis.","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-03-05T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"Journal of the American Chemical Society","journal_issue":"6","journal_volume":"146","format":"Medium: ED; Size: p. 4001-4012","authors":["Rom, Christopher L. [Colorado State University, Fort Collins, CO (United States); National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:0000000261763197)","Novick, Andrew [Colorado School of Mines, Golden, CO (United States)]","McDermott, Matthew J. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Materials Sciences Division; University of California, Berkeley, CA (United States)] (ORCID:0000000240713000)","Yakovenko, Andrey A. [Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)]","Gallawa, Jessica R. [Colorado State University, Fort Collins, CO (United States)] (ORCID:0000000254776424)","Tran, Gia Thinh [Colorado State University, Fort Collins, CO (United States)] (ORCID:0000000233697321)","Asebiah, Dominic C. [Colorado State University, Fort Collins, CO (United States)]","Storck, Emily N. [Colorado State University, Fort Collins, CO (United States)]","McBride, Brennan C. [Colorado State University, Fort Collins, CO (United States)] (ORCID:0000000238256138)","Miller, Rebecca C. [Colorado State University, Fort Collins, CO (United States)] (ORCID:0000000152637431)","Prieto, Amy L. [Colorado State University, Fort Collins, CO (United States)] (ORCID:000000019235185X)","Persson, Kristin A. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Materials Sciences Division; University of California, Berkeley, CA (United States)] (ORCID:0000000324955509)","Toberer, Eric [Colorado School of Mines, Golden, CO (United States)]","Stevanović, Vladan [Colorado School of Mines, Golden, CO (United States)]","Zakutayev, Andriy [National Renewable Energy Laboratory (NREL), Golden, CO (United States). Materials Science Center] (ORCID:0000000230545525)","Neilson, James R. [Colorado State University, Fort Collins, CO (United States)] (ORCID:0000000192825752)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","36 MATERIALS SCIENCE","inorganic","nitride","semiconductor","solid","synthesis"],"article_type":"Accepted Manuscript","doe_contract_number":"AC36-08GO28308; DMR-2210780; AC02-06CH11357; DMR-1945010; OAC-2118201; OAC-1940199; SC0019212; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"National Science Foundation (NSF)"},{"name":"National Energy Research Scientific Computing Center (NERSC)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","National Science Foundation (NSF)","National Energy Research Scientific Computing Center (NERSC)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"},{"name":"Argonne National Laboratory (ANL), Argonne, IL (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)","Argonne National Laboratory (ANL), Argonne, IL (United States)"],"journal_issn":"ISSN 0002-7863","other_identifiers":["Journal ID: ISSN 0002-7863; MainId:88713;UUID:7afcd50a-caf4-47a5-975f-f4a7664ef598;MainAdminId:71782"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2311878"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2311878"}]}, {"osti_id":"2283119","title":"Protocol-dependent frictional granular jamming simulations: cyclical, compression, and expansion","doi":"10.3389/frsfm.2023.1326756","product_type":"Journal Article","language":"English","country_publication":"Country unknown/Code not available","relation":"Journal Name: Frontiers in Soft Matter Journal Volume: 3","description":"<p>Granular matter takes many paths to pack in natural and industrial processes. The path influences the packing microstructure, particularly for frictional grains. We perform discrete element modeling simulations of different paths to construct packings of frictional spheres. Specifically, we explore four stress-controlled protocols implementing packing expansions and compressions in various combinations thereof. We characterize the eventual packed states through their dependence of the packing fraction and coordination number on packing pressure, identifying non-monotonicities with pressure that correlate with the fraction of frictional contacts. These stress-controlled, bulk-like particle simulations access very low-pressure packings, namely, the marginally stable limit, and demonstrate the strong protocol dependence of frictional granular matter.<\/p>","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-01-30T00:00:00Z","publisher":"Frontiers Media SA","journal_name":"Frontiers in Soft Matter","journal_volume":"3","format":"Medium: X","authors":["Santos, A. P.","Srivastava, Ishan","Silbert, Leonardo E.","Lechman, Jeremy B.","Grest, Gary S."],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231. DE-NA-0003525","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2813-0499","other_identifiers":["Journal ID: ISSN 2813-0499; 1326756"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283119"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283119"}]}, {"osti_id":"2283673","title":"Improved information criteria for Bayesian model averaging in lattice field theory","doi":"10.1103/physrevd.109.014510","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D.; Journal Volume: 109; Journal Issue: 1","description":"Bayesian model averaging is a practical method for dealing with uncertainty due to model specification. Use of this technique requires the estimation of model probability weights. Here, we revisit the derivation of estimators for these model weights. Use of the Kullback-Leibler divergence as a starting point leads naturally to a number of alternative information criteria suitable for Bayesian model weight estimation. We explore three such criteria, known to the statistics literature before, in detail: a Bayesian analog of the Akaike information criterion which we call the BAIC, the Bayesian predictive information criterion, and the posterior predictive information criterion (PPIC). We compare the use of these information criteria in numerical analysis problems common in lattice field theory calculations. We find that the PPIC has the most appealing theoretical properties and can give the best performance in terms of model-averaging uncertainty, particularly in the presence of noisy data, while the BAIC is a simple and reliable alternative.","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. D.","journal_issue":"1","journal_volume":"109","format":"Medium: ED; Size: Article No. 014510","authors":["Neil, Ethan T. [Univ. of Colorado, Boulder, CO (United States)] (ORCID:0000000249153951)","Sitison, Jacob W. [Univ. of Colorado, Boulder, CO (United States)] (ORCID:0000000331782714)"],"subjects":["97 MATHEMATICS AND COMPUTING"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0010005; AC02-05CH11231; AC05- 00OR22725","orgs_sponsor":[{"name":"USDOE Office of Science (SC), High Energy Physics (HEP)"}],"sponsor_orgs":["USDOE Office of Science (SC), High Energy Physics (HEP)"],"orgs_research":[{"name":"Univ. of Colorado, Boulder, CO (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)"},{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)"}],"research_orgs":["Univ. of Colorado, Boulder, CO (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)","Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; arXiv:2208.14983"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283673"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283673"}]}, {"osti_id":"2317736","title":"A soft departure from jamming: the compaction of deformable granular matter under high pressures","report_number":"SAND-2024-02427J","doi":"10.1039/d3sm01373a","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Soft Matter; Journal Volume: 20; Journal Issue: 8","description":"Here, the high-pressure compaction of three-dimensional granular packings is simulated using a bonded particle model (BPM) to capture linear elastic deformation. In the model, grains are represented by a collection of point particles connected by bonds. A simple multibody interaction is introduced to control Poisson\'s ratio and the arrangement of particles on the surface of a grain is varied to model both high- and low-frictional grains. At low pressures, the growth in packing fraction and coordination number follows the expected behavior near jamming and exhibit friction dependence. As the pressure increases, deviations from the low-pressure power-law scaling emerge after the packing fraction grows by approximately 0.1 and results from simulations with different friction coefficients converge. These results are compared to predictions from traditional discrete element method simulations which, depending on the definition of packing fraction and coordination number, may only differ by a factor of two. As grains deform under compaction, the average volumetric strain and asphericity, a measure of the change in the shape of grains, are found to grow as power laws and depend heavily on the Poisson\'s ratio of the constituent solid. Larger Poisson\'s ratios are associated with less volumetric strain and more asphericity and the apparent power-law exponent of the asphericity may vary. The elastic properties of the packed grains are also calculated as a function of packing fraction. In particular, we find the Poisson\'s ratio near jamming is 1/2 but decreases to around 1/4 before rising again as systems densify.","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-03-06T00:00:00Z","publisher":"Royal Society of Chemistry","journal_name":"Soft Matter","journal_issue":"8","journal_volume":"20","format":"Medium: ED; Size: p. 1702-1718","authors":["Clemmer, Joel T. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000210323925)","Monti, Joseph M. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]","Lechman, Jeremy B. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)]"],"subjects":["36 MATERIALS SCIENCE"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003525","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"}],"sponsor_orgs":["USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"}],"research_orgs":["Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)"],"journal_issn":"ISSN 1744-683X","other_identifiers":["Journal ID: ISSN 1744-683X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2317736"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2317736"}]}, {"osti_id":"2283096","title":"GALAXY CRUISE: Spiral and ring classifications for bright galaxies at\n <i>z<\/i>\n = 0.01–0.3","doi":"10.1093/pasj/psae002","product_type":"Journal Article","language":"English","country_publication":"Japan","relation":"Journal Name: Publications of the Astronomical Society of Japan","description":"<title>Abstract<\/title>\n <p>This paper presents a morphology classification catalog of spiral and ring features of 59854 magnitude-limited galaxies (r < 17.8 mag, and additional 628005 subsamples down to r = 20 mag) at z = 0.01–0.3 based on the Third Public Data Release of the Hyper Suprime-Cam Subaru Strategic Program. We employ two deep-learning classifiers to determine the spiral and ring structures separately based on GALAXY CRUISE Data Release 1, which is dedicated to Hyper Suprime-Cam data. The number of spiral and ring galaxies contain 31864 and 8808 sources, respectively, which constitute 53% and 15% of the sample. A notable result of this study is the construction of a large sample of ring galaxies utilizing high-quality imaging data delivered by the Subaru Hyper Suprime-Cam. However, the accurate identification of ring galaxies remains difficult at a limited seeing resolution. Additionally, we confirm that most spiral galaxies are located on the star-forming main sequence, whereas ring galaxies preferentially reside in the green valley at stellar masses of 1010.5–1011 solar mass. Furthermore, decreasing fractions of spiral and ring galaxies are observed toward the centers of the galaxy clusters. The obtained morphology catalog is publicly available on the GALAXY CRUISE website.<\/p>","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-01-30T00:00:00Z","publisher":"Oxford University Press","journal_name":"Publications of the Astronomical Society of Japan","format":"Medium: X","authors":["Shimakawa, Rhythm (ORCID:0000000344422750)","Tanaka, Masayuki","Ito, Kei (ORCID:0000000294530381)","Ando, Makoto (ORCID:0000000242254477)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0004-6264","other_identifiers":["Journal ID: ISSN 0004-6264; psae002"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283096"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283096"}]}, {"osti_id":"2283105","title":"Fluctuations and correlations of baryonic chiral partners","doi":"10.1103/PhysRevD.109.014033","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. D. Journal Volume: 109 Journal Issue: 1","description":"The exploration of critical phenomena in phase transitions of strongly interacting matter governed by quantum chromodynamics (QCD) is one of the goals of present ultrarelativistic heavy-ion collision experiments at BNL and CERN. The key research direction is to locate the putative critical point on the phase diagram of QCD linked to the chiral symmetry restoration at finite temperature and/or density. One of the main theoretical tools used for this purpose is the fluctuations of conserved charges, such as the net-baryon number. However, due to experimental limitations, analyses of heavy-ion collision data suffer from a very doubtful basing of the net-proton number being a proxy for the total net-baryon number fluctuations. In this work, we use the parity doublet model to investigate the fluctuations of the net-baryon number density in hot and dense hadronic matter. The model accounts for chiral criticality within the mean-field approximation. We focus on the qualitative properties and systematics of the first-and second-order susceptibility of the net-baryon number density, and their ratios for nucleons of positive and negative parity, as well as their correlator. We show that the fluctuations of the positive-parity nucleon do not necessarily reflect the fluctuations of the total net-baryon number density at the phase boundary of the chiral phase transition. We also investigate the nontrivial structure of the correlator. Furthermore, we discuss and quantify the differences between the fluctuations of the net-baryon number density in the vicinity of the chiral and liquid-gas phase transition in nuclear matter. We indicate a possible relevance of our results with the interpretation of the experimental data on net-proton number fluctuations in heavy-ion collisions.","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"American Physical Society","journal_name":"Physical Review. D.","journal_issue":"1","journal_volume":"109","format":"Medium: X","authors":["Koch, Volker (ORCID:0000000221572791)","Marczenko, Michał (ORCID:0000000328150564)","Redlich, Krzysztof","Sasaki, Chihiro"],"subjects":["Hadron-hadron interactions","QCD phase transitions","QCD phenomenology","Hadrons","Chiral symmetry"],"article_type":"Published Article","doe_contract_number":"AC02-05CH11231; FG02-00ER41132; 2022/45/B/ST2/01527; 2017/27/N/ST2/01973","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Nuclear Physics (NP)"},{"name":"Polish National Science Centre (NCN)"},{"name":"Preludium"}],"sponsor_orgs":["USDOE Office of Science (SC), Nuclear Physics (NP)","Polish National Science Centre (NCN)","Preludium"],"orgs_research":[{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 2470-0010","other_identifiers":["Journal ID: ISSN 2470-0010; PRVDAQ; 014033"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283105"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283105"}]}, {"osti_id":"2283245","title":"The deep-acceptor nature of the chalcogen vacancies in 2D transition-metal dichalcogenides","doi":"10.1088/2053-1583/ad2108","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: 2D Materials Journal Volume: 11 Journal Issue: 2","description":"<title>Abstract<\/title>\n <p>\n Chalcogen vacancies in the semiconducting monolayer transition-metal dichalcogenides (TMDs) have frequently been invoked to explain a wide range of phenomena, including both unintentional p-type and n-type conductivity, as well as sub-band gap defect levels measured via tunneling or optical spectroscopy. These conflicting interpretations of the deep versus shallow nature of the chalcogen vacancies are due in part to shortcomings in prior first-principles calculations of defects in the semiconducting two-dimensional TMDs that have been used to explain experimental observations. Here we report results of hybrid density functional calculations for the chalcogen vacancy in a series of monolayer TMDs, correctly referencing the thermodynamic charge transition levels to the fundamental band gap (as opposed to the optical band gap). We find that the chalcogen vacancies are deep acceptors and cannot lead to n-type or p-type conductivity. Both the (0/−1) and (−1/−2) transition levels occur in the gap, leading to paramagnetic charge states\n <inline-formula>\n <tex-math>\n <CDATA/>\n <\/tex-math>\n <math overflow=\'scroll\'>\n <mi>S<\/mi>\n <mo>=<\/mo>\n <mn>1<\/mn>\n <mrow>\n <mo>/<\/mo>\n <\/mrow>\n <mn>2<\/mn>\n <\/math>\n <inline-graphic href=\'tdmad2108ieqn1.gif\' type=\'simple\'/>\n <\/inline-formula>\n and\n <italic>S<\/italic>\n = 1, respectively, in a collinear-spin representation. We discuss trends in terms of the band alignments between the TMDs, which can serve as a guide to future experimental studies of vacancy behavior.\n <\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"IOP Publishing","journal_name":"2D Materials","journal_issue":"2","journal_volume":"11","format":"Medium: X; Size: Article No. 021001","authors":["Khalid, Shoaib (ORCID:0000000338063827)","Medasani, Bharat (ORCID:0000000220734162)","Lyons, John L. (ORCID:0000000180233055)","Wickramaratne, Darshana (ORCID:0000000216631507)","Janotti, Anderson (ORCID:0000000203582101)"],"subjects":["36 MATERIALS SCIENCE","defects","monolayer TMDs","chalcogen vacancies","paramagnetic charge state"],"article_type":"Published Article","doe_contract_number":"DEAC02- 09CH11466; AC02-09CH11466; AC02-05CH11231; OIA-2217786; BES-ERCAP20424; 1919839","orgs_sponsor":[{"name":"USDOE Laboratory Directed Research and Development (LDRD) Program"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Laboratory Directed Research and Development (LDRD) Program","National Science Foundation (NSF)"],"orgs_research":[{"name":"Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)"}],"research_orgs":["Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)"],"journal_issn":"ISSN 2053-1583","other_identifiers":["Journal ID: ISSN 2053-1583"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283245"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283245"}]}, {"osti_id":"2283086","title":"Boron‐polymer composites engineered for compression molding, foaming, and additive manufacturing","doi":"10.1002/app.55236","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Applied Polymer Science","description":"<title>Abstract<\/title>\n <p>\n Boron (specifically\n <sup>10<\/sup>\n B) is the element of choice to shield thermal neutrons due to its large (n, α) cross‐section; however, very few polymer composites containing high boron concentrations are available. This study aimed to determine the maximum possible amount of boron that could be introduced into a polymer matrix. Diverse manufacturing techniques, ranging from additive manufacturing to compression molding, were employed to fabricate inks and filaments for 3D printing, foams, and flexible pads. Composites using siloxanes, poly(lactic acid), and acrylonitrile butadiene styrene containing up to 80 wt% boron were sucessufully fabricated. The addition of known plasticizers (polyethylene glycol) and reinforcing agents (carbon nanofibers and fumed silica) helped to overcome fabrication problems such as clogging of the printing nozzle or crumbling of compression molded parts. In addition, the thermal‐mechanical properties of these novel boron composites were determined and shown to vary according to boron concentration, presence of additives, and fabrication techniques utilized.\n <\/p>","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-01-30T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Journal of Applied Polymer Science","format":"Medium: X","authors":["Stockdale, John R. [Los Alamos National Laboratory Los Alamos New Mexico USA]","Legett, Shelbie A. [Los Alamos National Laboratory Los Alamos New Mexico USA]","Torres, Xavier M. [Los Alamos National Laboratory Los Alamos New Mexico USA]","Pacheco, Adam [Los Alamos National Laboratory Los Alamos New Mexico USA]","Adhikari, Santosh [Los Alamos National Laboratory Los Alamos New Mexico USA]","Bezek, Lindsey [Los Alamos National Laboratory Los Alamos New Mexico USA]","Labouriau, Andrea [Los Alamos National Laboratory Los Alamos New Mexico USA] (ORCID:0000000180339132)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0021-8995","other_identifiers":["Journal ID: ISSN 0021-8995; e55236"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283086"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283086"}]}, {"osti_id":"2283106","title":"Catalytic carbon–carbon bond cleavage in lignin via manganese–zirconium-mediated autoxidation","report_number":"NREL/JA-2A00-85269","doi":"10.1038/s41467-024-45038-z","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Efforts to produce aromatic monomers through catalytic lignin depolymerization have historically focused on aryl–ether bond cleavage. A large fraction of aromatic monomers in lignin, however, are linked by various carbon–carbon (C–C) bonds that are more challenging to cleave and limit the yields of aromatic monomers from lignin depolymerization. Here, we report a catalytic autoxidation method to cleave C–C bonds in lignin-derived dimers and oligomers from pine and poplar. The method uses manganese and zirconium salts as catalysts in acetic acid and produces aromatic carboxylic acids as primary products. The mixtures of the oxygenated monomers are efficiently converted to\n <italic>cis,cis<\/italic>\n -muconic acid in an engineered strain of\n <italic>Pseudomonas putida<\/italic>\n KT2440 that conducts aromatic\n <italic>O<\/italic>\n -demethylation reactions at the 4-position. This work demonstrates that autoxidation of lignin with Mn and Zr offers a catalytic strategy to increase the yield of valuable aromatic monomers from lignin.\n <\/p>","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-01-30T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Palumbo, Chad T.","Gu, Nina X.","Bleem, Alissa C.","Sullivan, Kevin P.","Katahira, Rui","Stanley, Lisa M.","Kenny, Jacob K.","Ingraham, Morgan A. (ORCID:0000000273504862)","Ramirez, Kelsey J. (ORCID:000000025114742X)","Haugen, Stefan J.","Amendola, Caroline R.","Stahl, Shannon S. (ORCID:0000000290007665)","Beckham, Gregg T. (ORCID:000000023480212X)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","09 BIOMASS FUELS","acetyl vanillin","autoxidation","biomaterials","catalytic bioconversion","lignin depolymerization","lignin valorization","muconic acid","reductive catalytic fractionation"],"article_type":"Published Article","doe_contract_number":"AC36-08GO28308; FG02-05ER15690","orgs_sponsor":[{"name":"USDOE Office of Energy Efficiency and Renewable Energy (EERE)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Energy Efficiency and Renewable Energy (EERE)","USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"National Renewable Energy Laboratory (NREL), Golden, CO (United States)"}],"research_orgs":["National Renewable Energy Laboratory (NREL), Golden, CO (United States)"],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 862; PII: 45038"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283106"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283106"}]}, {"osti_id":"2283564","title":"Enhanced Radiation Damage Tolerance of Amorphous Interphase and Grain Boundary Complexions in Cu-Ta","doi":"10.1007/s11837-024-06382-z","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: JOM. Journal of the Minerals, Metals & Materials Society","description":"Amorphous interfacial complexions are particularly resistant to radiation damage and have been primarily studied in alloys with good glass-forming ability, yet recent reports suggest that these features can form even in immiscible alloys such as Cu-Ta under irradiation. In this work, the mechanisms of damage production and annihilation due to primary knock-on atom collisions are investigated for amorphous interphase and grain boundaries in a Cu-Ta alloy using atomistic simulations. Amorphous complexions, in particular amorphous interphase complexions that separate Cu and Ta grains, result in less residual defect damage than their ordered counterparts. Stemming from the nanophase chemical separation in this alloy, the amorphous complexions exhibit a highly heterogeneous distribution of atomic excess volume, as compared to a good glass former like Cu-Zr. Complexion thickness, a tunable structural descriptor, plays a vital role in damage resistance. Thicker interfacial films are more damage-tolerant because they alter the defect production rate due to differences in intrinsic displacement threshold energies during the collision cascade. Overall, the findings of this work highlight the importance of interfacial engineering in enhancing the properties of materials operating in radiation-prone environments and the promise of amorphous complexions as particularly radiation damage-tolerant microstructural features.","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"Springer","journal_name":"JOM. Journal of the Minerals, Metals & Materials Society","format":"Medium: ED","authors":["Aksoy, Doruk [Univ. of California, Irvine, CA (United States)]","Cao, Penghui [Univ. of California, Irvine, CA (United States)]","Trelewicz, Jason R. [Stony Brook Univ., NY (United States)]","Wharry, Janelle P. [Purdue Univ., West Lafayette, IN (United States)]","Rupert, Timothy J. [Univ. of California, Irvine, CA (United States)]"],"subjects":["36 MATERIALS SCIENCE","radiation damage","interface structure","amorphous intergranular film","Cu-Ta alloy","grain boundary","amorphous complexions"],"article_type":"Accepted Manuscript","doe_contract_number":"SC0021224; SC0020150; SC0021060; SC0022295","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"},{"name":"USDOE Office of Nuclear Energy (NE)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES)","USDOE Office of Nuclear Energy (NE)"],"orgs_research":[{"name":"Univ. of California, Irvine, CA (United States)"}],"research_orgs":["Univ. of California, Irvine, CA (United States)"],"journal_issn":"ISSN 1047-4838","other_identifiers":["Journal ID: ISSN 1047-4838"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283564"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283564"}]}, {"osti_id":"2283830","title":"Integrated modeling for assessing climate change impacts on water resources and hydropower potential in the Himalayas","doi":"10.1007/s00704-024-04863-4","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Theoretical and Applied Climatology; Journal Volume: 155; Journal Issue: 3","description":"Regional hydroclimatic variability and change can affect water resources and hydropower generation. It is essential to assess hydropower potential under current and future climatic conditions to inform the design and operation of hydropower infrastructures. Here, we employ an integrated modeling framework to assess the impact of projected hydroclimatic conditions on water resource systems and hydropower generation. The integrated framework samples climate model outputs under different scenarios to force a hydrologic model and produces streamflow projections. The projected streamflows are inputs for the future hydropower potential assessment. We implement the framework in the central Himalayan river basin. Our results demonstrate substantial spatiotemporal variability in different water balance components (precipitation, evapotranspiration, and water yield) under current and future climatic conditions. For the Himalayan Tila river basin, the annual average energy production is expected to increase under future hydroclimatic conditions (up to 39% in Tila-2 hydropower project, suggested by ensemble mean). Furthermore, this increase in energy is driven mainly by the increased streamflow projections, particularly during the dry season and in the late century. Our results highlight the impacts of hydroclimatic variability in hydropower productions and are of practical use to provide decision-relevant information for designing and operating hydropower infrastructures. The integrated modeling framework presented here is region-specific; however, the approach is reproducible, and the overall insights are generalizable across the Himalayan region.","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-02-12T00:00:00Z","publisher":"Springer Nature","journal_name":"Theoretical and Applied Climatology","journal_issue":"3","journal_volume":"155","format":"Medium: ED; Size: p. 1-16","authors":["Baniya, Rupesh [Tribhuvan University, Lalitpur (Nepal); Water Resource Research and Development Centre (WRRDC), Pulchowk (Nepal)]","Regmi, Ram Krishna [Tribhuvan University, Lalitpur (Nepal)]","Talchabhadel, Rocky [Jackson State University, MS (United States)]","Sharma, Sanjib [Howard University, Washington, DC (United States)]","Panthi, Jeeban [Kansas State University, Manhattan, KS (United States)]","Ghimire, Ganesh R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]","Bista, Sunil [Jackson State University, MS (United States)]","Thapa, Bhesh Raj [Pokhara University, Lalitpur (Nepal)]","Pradhan, Ananta M. S. [Water Resource Research and Development Centre (WRRDC), Pulchowk (Nepal)]","Tamrakar, Jebin [Water Resource Research and Development Centre (WRRDC), Pulchowk (Nepal)]"],"subjects":["54 ENVIRONMENTAL SCIENCES","Climate change","Hydroclimatic projections","Energy","Hydropower potential","Integrated modeling framework","SWAT"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725","orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 0177-798X","other_identifiers":["Journal ID: ISSN 0177-798X"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283830"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283830"}]}, {"osti_id":"2283823","title":"A five-year milestone: reflections on advances and limitations in GeoAI research","doi":"10.1080/19475683.2024.2309866","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Annals of GIS","description":"The Annual Meeting of the American Association of Geographers (AAG) in 2023 marked a five-year milestone since the first Geospatial Artificial Intelligence (GeoAI) Symposium was held at AAG in 2018. In the past five years, progress has been made while open questions remain. In this context, we organized an AAG panel and invited five panellists to discuss the advances and limitations in GeoAI research. The panellists commended the successes, such as the development of spatially explicit models, the production of large-scale geographic datasets, and the use of GeoAI to address real-world problems. The panellists also shared their thoughts on limitations in current GeoAI research, which were considered as opportunities to engage theories in geography, enhance model explainability, quantify uncertainty, and improve model generalizability. This article summarizes the presentations from the panellists and also provides after-panel thoughts from the organizers. We hope that this article can make these thoughts more accessible to interested readers and help stimulate new ideas for future breakthroughs.","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-02-07T00:00:00Z","journal_name":"Annals of GIS","format":"Medium: ED; Size: p. 1-14","authors":["Hu, Yingjie [Univ. at Buffalo, NY (United States)]","Goodchild, Michael [Univ. of California, Santa Barbara, CA (United States)]","Zhu, A-Xing [Univ. of Wisconsin, Madison, WI (United States)]","Yuan, May [Univ. of Texas at Dallas, Richardson, TX (United States)]","Aydin, Orhun [Saint Louis University, MO (United States); Taylor Geospatial Inst., St. Louis, MO (United States)]","Bhaduri, Budhendra [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000315551377)","Gao, Song [Univ. of Wisconsin, Madison, WI (United States)]","Li, Wenwen [Arizona State Univ., Tempe, AZ (United States)]","Lunga, Dalton [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000300541141)","Newsam, Shawn [Univ. of California, Merced, CA (United States)]"],"subjects":["GeoAI","theory","perspectives","Giscience","geography"],"article_type":"Accepted Manuscript","doe_contract_number":"AC05-00OR22725; BCS-2117771; BCS-1853864; OAC-2230034; OAC- 2112606","orgs_sponsor":[{"name":"USDOE"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE","National Science Foundation (NSF)"],"orgs_research":[{"name":"Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"}],"research_orgs":["Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)"],"journal_issn":"ISSN 1947-5683","other_identifiers":["Journal ID: ISSN 1947-5683"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283823"},{"rel":"fulltext","href":"https://www.osti.gov/servlets/purl/2283823"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283823"}]}, {"osti_id":"2283636","title":"Determining the <strong><sup>9<\/sup><\/strong>$\\mathrm{Be}$($n, γ$)<strong><sup>10<\/sup><\/strong>$\\mathrm{Be}$ integral cross section at fission neutron energies","report_number":"LLNL-JRNL-853075","doi":"10.1103/physrevc.109.014625","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Physical Review. C; Journal Volume: 109; Journal Issue: 1","description":"The <sup>9<\/sup>B neutron capture cross section has significant implications for Be materials in the nuclear industry as well as the α process in stellar nucleosynthesis. While the cross section is well constrained at thermal neutron energies, there is a lack of experimental data at higher neutron energies, and the evaluated nuclear data libraries can differ by up to two orders of magnitude. We calculate the <sup>9<\/sup>Be(n, γ)<sup>10<\/sup>Be integral cross section at fission neutron energies in an effort to resolve disagreements amongst the nuclear data libraries. Foil irradiation experiments were performed using the Flattop critical assembly at the National Criticality Experiments Research Center with either the highly enriched U or Pu cores, with target foil stacks placed at multiple locations to exploit different neutron energy profiles. Accelerator mass spectrometry was used to measure the <sup>10<\/sup>Be/<sup>9<\/sup>Be ratio in irradiated Be foils, while all other activation products were quantified through gamma spectrometry. The experiments were simulated using the Monte Carlo N-Particle radiation transport code and combined with experimental results to determine the total neutron fluence, while the staysl-pnnl suite and fispact-ii code were used to validate the model and assess the systematic uncertainty. The new <sup>9<\/sup>Be(n, γ)<sup>10<\/sup>Be integral cross sections calculated in this work are 26.5 ± 2.2µb at 0.59 ± 0.07 MeV, 24 ± 3 µb at 0.98 ± 0.14 MeV, 21.7 ± 1.3 µb at 1.26 ± 0.11 MeV, 21.8 ± 1.4 µb at 1.32 ± 0.11 MeV, and 18.6 ± 1.1 µb at 1.46 ± 0.13 MeV. These results do not agree with integral cross sections from any of the nuclear data library evaluations. Discrepancies between the new integral cross sections reported here and the nuclear data libraries suggest a more complex cross-section structure in the MeV range which allows for more resonance contributions, and more work is needed to further constrain the evaluated cross sections.","availability":"External Audience (Unlimited)","publication_date":"2024-01-31T00:00:00Z","entry_date":"2024-02-06T00:00:00Z","publisher":"American Physical Society (APS)","journal_name":"Physical Review. C","journal_issue":"1","journal_volume":"109","format":"Medium: ED; Size: Article No. 014625","authors":["Goodell, J. J. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000282485683)","Church, J. A. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Keith, C. C. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)]","Harward, N. K. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Pierson, B. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]","Tumey, S. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Dorais, C. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]","Bandong, B. B. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]"],"subjects":["73 NUCLEAR PHYSICS AND RADIATION PHYSICS","38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY","fission","neutron physics","nuclear astrophysics","nuclear reactions","radiative capture","spectrometers and spectroscopic techniques"],"article_type":"Accepted Manuscript","doe_contract_number":"AC52-07NA27344","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)"],"orgs_research":[{"name":"Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)"},{"name":"Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)"},{"name":"Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"}],"research_orgs":["Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)","Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)","Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)"],"journal_issn":"ISSN 2469-9985","other_identifiers":["Journal ID: ISSN 2469-9985; 1080007"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283636"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283636"}]}, {"osti_id":"2283115","title":"A universal metabolite repair enzyme removes a strong inhibitor of the TCA cycle","doi":"10.1038/s41467-024-45134-0","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n A prevalent side-reaction of succinate dehydrogenase oxidizes malate to enol-oxaloacetate (OAA), a metabolically inactive form of OAA that is a strong inhibitor of succinate dehydrogenase. We purified from cow heart mitochondria an enzyme (OAT1) with OAA tautomerase (OAT) activity that converts enol-OAA to the physiological keto-OAA form, and determined that it belongs to the highly conserved and previously uncharacterized Fumarylacetoacetate_hydrolase_domain-containing protein family. From all three domains of life, heterologously expressed proteins were shown to have strong OAT activity, and ablating the\n <italic>OAT1<\/italic>\n homolog caused significant growth defects. In\n <italic>Escherichia coli<\/italic>\n , expression of succinate dehydrogenase was necessary for OAT1-associated growth defects to occur, and ablating\n <italic>OAT1<\/italic>\n caused a significant increase in acetate and other metabolites associated with anaerobic respiration. OAT1 increased the succinate dehydrogenase reaction rate by 35% in in vitro assays with physiological concentrations of both succinate and malate. Our results suggest that OAT1 is a universal metabolite repair enzyme that is required to maximize aerobic respiration efficiency by preventing succinate dehydrogenase inhibition.\n <\/p>","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-01-30T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Zmuda, Anthony J.","Kang, Xiaojun","Wissbroecker, Katie B.","Freund Saxhaug, Katrina","Costa, Kyle C.","Hegeman, Adrian D. (ORCID:0000000310086066)","Niehaus, Thomas D. (ORCID:0000000235758001)"],"article_type":"Published Article","doe_contract_number":"SC0019148","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 846; PII: 45134"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283115"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283115"}]}, {"osti_id":"2283609","title":"Statin Drug‐Drug Interactions: Pharmacokinetic Basis of FDA Labeling Recommendations and Comparison Across Common Tertiary Clinical Resources","doi":"10.1002/jcph.2406","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Clinical Pharmacology","description":"<title>Abstract<\/title>\n <p>Statins are widely prescribed and highly susceptible to pharmacokinetic (PK)‐based drug–drug interactions (DDIs). To date, there has not been a comprehensive analysis of the basis upon which statin DDI recommendations in US Food and Drug Administration (FDA) prescribing information (PI) are derived. We have conducted such an analysis. We also assessed the degree of concordance of statin DDI recommendations in FDA PI and those provided in common tertiary clinical resources. We catalogued statin DDI information, including PK data and management recommendations, for statin precipitant drugs approved from 2010 to 2021, available from FDA PI and tertiary clinical resource databases. Recommendations were categorized and mapped with associated PK data to assess consistency in the PK basis for labeling recommendations. From the 80 precipitant drugs evaluated, 180 statin DDIs were identified in FDA PI. Dedicated clinical DDI studies were conducted for 54% (n = 97) of these DDIs and 34% (n = 61) of DDI recommendations were extrapolated from clinical data with other statins. Overall, we found that PK‐based statin recommendations were consistent across PI. These findings highlight regulatory precedence for translating information across statins without conducting dedicated clinical DDI studies, which may support future efforts toward streamlining the approach to investigation and labeling of statin DDIs. In addition, with the exception of some notable discrepancies, general concordance was observed between FDA and tertiary resources regarding “Dose Adjustment” and “Avoid Coadministration” recommendations. However, further analyses are warranted across other DDI pairs to determine whether discordance can routinely lead to different clinical recommendations depending on the drug information resource.<\/p>","publication_date":"2024-02-01T00:00:00Z","entry_date":"2024-02-05T00:00:00Z","publisher":"Wiley Blackwell (John Wiley & Sons)","journal_name":"Journal of Clinical Pharmacology","format":"Medium: X","authors":["Mease, James [Office of Clinical Pharmacology US Food and Drug Administration Silver Spring MD USA] (ORCID:0009000604282422)","Ramamoorthy, Anuradha [Office of Clinical Pharmacology US Food and Drug Administration Silver Spring MD USA]","Yang, Xinning [Office of Clinical Pharmacology US Food and Drug Administration Silver Spring MD USA]","Madabushi, Rajanikanth [Office of Clinical Pharmacology US Food and Drug Administration Silver Spring MD USA]","Pfuma Fletcher, Elimika [Office of Clinical Pharmacology US Food and Drug Administration Silver Spring MD USA]","Zineh, Issam [Office of Clinical Pharmacology US Food and Drug Administration Silver Spring MD USA]"],"article_type":"Publisher\'s Accepted Manuscript","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0091-2700","other_identifiers":["Journal ID: ISSN 0091-2700; jcph.2406"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283609"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283609"}]}, {"osti_id":"2283116","title":"Effect of solid-electrolyte pellet density on failure of solid-state batteries","doi":"10.1038/s41467-024-45030-7","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Despite the potentially higher energy density and improved safety of solid-state batteries (SSBs) relative to Li-ion batteries, failure due to Li-filament penetration of the solid electrolyte and subsequent short circuit remains a critical issue. Herein, we show that Li-filament growth is suppressed in solid-electrolyte pellets with a relative density beyond ~95%. Below this threshold value, however, the battery shorts more easily as the density increases due to faster Li-filament growth within the percolating pores in the pellet. The microstructural properties (e.g., pore size, connectivity, porosity, and tortuosity) of\n <inline-formula>\n <alternatives>\n <tex-math>$$75\\%{{{{{\\rm{L}}}}}}{{{{{{\\rm{i}}}}}}}_{2}{{{{{\\rm{S}}}}}}-25\\%{{{{{{\\rm{P}}}}}}}_{2}{{{{{{\\rm{S}}}}}}}_{5}$$<\/tex-math>\n <math>\n <mn>75<\/mn>\n <mi>%<\/mi>\n <mi>L<\/mi>\n <msub>\n <mrow>\n <mi>i<\/mi>\n <\/mrow>\n <mrow>\n <mn>2<\/mn>\n <\/mrow>\n <\/msub>\n <mi>S<\/mi>\n <mo>−<\/mo>\n <mn>25<\/mn>\n <mi>%<\/mi>\n <msub>\n <mrow>\n <mi>P<\/mi>\n <\/mrow>\n <mrow>\n <mn>2<\/mn>\n <\/mrow>\n <\/msub>\n <msub>\n <mrow>\n <mi>S<\/mi>\n <\/mrow>\n <mrow>\n <mn>5<\/mn>\n <\/mrow>\n <\/msub>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n with various relative densities are quantified using focused ion beam–scanning electron microscopy tomography and permeability tests. Furthermore, modeling results provide details on the Li-filament growth inside pores ranging from 0.2 to 2 μm in size. Our findings improve the understanding of the failure modes of SSBs and provide guidelines for the design of dendrite-free SSBs.\n <\/p>","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-01-30T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Diallo, Mouhamad S.","Shi, Tan (ORCID:0000000303122639)","Zhang, Yaqian","Peng, Xinxing","Shozib, Imtiaz (ORCID:0000000185629569)","Wang, Yan (ORCID:0000000286482172)","Miara, Lincoln J. (ORCID:0000000225618216)","Scott, Mary C. (ORCID:0000000295436725)","Tu, Qingsong Howard","Ceder, Gerbrand (ORCID:0000000192753605)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 858; PII: 45030"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283116"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283116"}]}, {"osti_id":"2283114","title":"Functional promiscuity of small multidrug resistance transporters from\n <i>Staphylococcus aureus<\/i>\n ,\n <i>Pseudomonas aeruginosa<\/i>\n , and\n <i>Francisella tularensis<\/i>","doi":"10.1111/mmi.15231","product_type":"Journal Article","language":"English","country_publication":"FAO","relation":"Journal Name: Molecular Microbiology","description":"<title>Abstract<\/title>\n <p>\n Small multidrug resistance transporters efflux toxic compounds from bacteria and are a minimal system to understand multidrug transport. Most previous studies have focused on EmrE, the model SMR from\n <italic>Escherichia coli<\/italic>\n , finding that EmrE has a broader substrate profile than previously thought and that EmrE may perform multiple types of transport, resulting in substrate‐dependent resistance\n <italic>or susceptibility<\/italic>\n . Here, we performed a broad screen to identify potential substrates of three other SMRs: PAsmr from\n <italic>Pseudomonas aeruginosa<\/italic>\n ; FTsmr from\n <italic>Francisella tularensis<\/italic>\n ; and SAsmr from\n <italic>Staphylococcus aureus<\/italic>\n . This screen tested metabolic differences\n <italic>in E. coli<\/italic>\n expressing each transporter versus an inactive mutant, for a clean comparison of sequence and substrate‐specific differences in transporter function, and identified many substrates for each transporter. In general, resistance compounds were charged, and susceptibility substrates were uncharged, but hydrophobicity was not correlated with phenotype. Two resistance hits and two susceptibility hits were validated via growth assays and IC50 calculations. Susceptibility is proposed to occur via substrate‐gated proton leak, and the addition of bicarbonate antagonizes the susceptibility phenotype, consistent with this hypothesis.\n <\/p>","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-01-30T00:00:00Z","publisher":"Wiley-Blackwell","journal_name":"Molecular Microbiology","format":"Medium: X","authors":["Spreacker, Peyton J. [Department of Biochemistry University of Wisconsin‐Madison Madison Wisconsin USA]","Wegrzynowicz, Andrea K. [Department of Biochemistry University of Wisconsin‐Madison Madison Wisconsin USA] (ORCID:0000000214934563)","Porter, Colin J. [Department of Biochemistry University of Wisconsin‐Madison Madison Wisconsin USA]","Beeninga, Will F. [Department of Biochemistry University of Wisconsin‐Madison Madison Wisconsin USA]","Demas, Sydnye [Department of Biochemistry University of Wisconsin‐Madison Madison Wisconsin USA]","Powers, Emma N. [Department of Biochemistry University of Wisconsin‐Madison Madison Wisconsin USA]","Henzler‐Wildman, Katherine A. [Department of Biochemistry University of Wisconsin‐Madison Madison Wisconsin USA]"],"article_type":"Published Article","doe_contract_number":"DE‐SC0018409","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 0950-382X","other_identifiers":["Journal ID: ISSN 0950-382X; mmi.15231"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283114"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283114"}]}, {"osti_id":"2283107","title":"Ultrafast Bragg coherent diffraction imaging of epitaxial thin films using deep complex-valued neural networks","report_number":"BNL-225260-2024-JAAM","doi":"10.1038/s41524-024-01208-7","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: npj Computational Materials Journal Volume: 10 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Domain wall structures form spontaneously due to epitaxial misfit during thin film growth. Imaging the dynamics of domains and domain walls at ultrafast timescales can provide fundamental clues to features that impact electrical transport in electronic devices. Recently, deep learning based methods showed promising phase retrieval (PR) performance, allowing intensity-only measurements to be transformed into snapshot real space images. While the Fourier imaging model involves complex-valued quantities, most existing deep learning based methods solve the PR problem with real-valued based models, where the connection between amplitude and phase is ignored. To this end, we involve complex numbers operation in the neural network to preserve the amplitude and phase connection. Therefore, we employ the complex-valued neural network for solving the PR problem and evaluate it on Bragg coherent diffraction data streams collected from an epitaxial La\n <sub>2-x<\/sub>\n Sr\n <sub>x<\/sub>\n CuO\n <sub>4<\/sub>\n (LSCO) thin film using an X-ray Free Electron Laser (XFEL). Our proposed complex-valued neural network based approach outperforms the traditional real-valued neural network methods in both supervised and unsupervised learning manner. Phase domains are also observed from the LSCO thin film at an ultrafast timescale using the complex-valued neural network.\n <\/p>","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-01-30T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"npj Computational Materials","journal_issue":"1","journal_volume":"10","format":"Medium: X","authors":["Yu, Xi (ORCID:0000000220291680)","Wu, Longlong (ORCID:0000000213362743)","Lin, Yuewei (ORCID:0000000214294543)","Diao, Jiecheng","Liu, Jialun","Hallmann, Jörg (ORCID:000000021996397X)","Boesenberg, Ulrike","Lu, Wei","Möller, Johannes (ORCID:0000000183639077)","Scholz, Markus (ORCID:0000000156699912)","Zozulya, Alexey (ORCID:0000000310483432)","Madsen, Anders (ORCID:0000000165941029)","Assefa, Tadesse","Bozin, Emil S. (ORCID:0000000266820365)","Cao, Yue","You, Hoydoo (ORCID:0000000329969483)","Sheyfer, Dina","Rosenkranz, Stephan (ORCID:0000000256590383)","Marks, Samuel D.","Evans, Paul G. (ORCID:0000000304216792)","Keen, David A.","He, Xi","Božović, Ivan","Dean, Mark P. M. (ORCID:0000000151393543)","Yoo, Shinjae","Robinson, Ian K. (ORCID:0000000348975221)"],"subjects":["77 NANOSCIENCE AND NANOTECHNOLOGY"],"article_type":"Published Article","doe_contract_number":"SC0012704; FG02-04ER46147; GBMF9074; DMR-2309000; DMR-1720415","orgs_sponsor":[{"name":"USDOE"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"Gordon and Betty Moore Foundation (GBMF)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","Gordon and Betty Moore Foundation (GBMF)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Brookhaven National Laboratory (BNL), Upton, NY (United States)"},{"name":"Univ. of Wisconsin, Madison, WI (United States)"}],"research_orgs":["Brookhaven National Laboratory (BNL), Upton, NY (United States)","Univ. of Wisconsin, Madison, WI (United States)"],"journal_issn":"ISSN 2057-3960","other_identifiers":["Journal ID: ISSN 2057-3960; 24; PII: 1208"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283107"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283107"}]}, {"osti_id":"2305369","title":"Phase Transition of Heptane under Pressure","doi":"10.1021/acs.jpcc.3c08496","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: Journal of Physical Chemistry. C; Journal Volume: 128; Journal Issue: 5","description":"A solid-to-solid phase transition was discovered in n-heptane with an onset at a pressure of 1.7 ± 0.1 GPa, evidenced by a discontinuity in the pressure–volume equation of state obtained from synchrotron X-ray diffraction experiments conducted at room temperature. The phase transition also resulted in discontinuous shifts of vibrational peaks in the infrared spectra. No additional phase transitions were detected up to 10 GPa, contradicting an earlier claim of a phase transition at 3 GPa. Furthermore, the hydrostatic limit of heptane in a diamond anvil cell was estimated to be 3.5 GPa. Above that pressure, the stress state is not well-defined, which may explain prior reports of a phase transition at 7.5 GPa.","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-02-19T00:00:00Z","publisher":"American Chemical Society","journal_name":"Journal of Physical Chemistry. C","journal_issue":"5","journal_volume":"128","format":"Medium: ED; Size: p. 2266-2270","authors":["Barmore, Lauren M. [Washington State University, Pullman, WA (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000233697591)","Rasmussen, Anya M. [Washington State University, Pullman, WA (United States)]","Whitfield, Ben [Washington State University, Pullman, WA (United States)]","McCluskey, Matthew D. [Washington State University, Pullman, WA (United States)] (ORCID:0000000207864106)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","Diffraction","Infrared light","Infrared spectroscopy","Phase transitions","Stress"],"article_type":"Accepted Manuscript","doe_contract_number":"NA0003957; FG02-07ER46386; AC02-05CH11231; AC52-07NA27344","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)","USDOE Office of Science (SC), Basic Energy Sciences (BES)"],"orgs_research":[{"name":"Washington State Univ., Pullman, WA (United States)"}],"research_orgs":["Washington State Univ., Pullman, WA (United States)"],"journal_issn":"ISSN 1932-7447","other_identifiers":["Journal ID: ISSN 1932-7447"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305369"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305369"}]}, {"osti_id":"2283244","title":"Atomically synergistic Zn-Cr catalyst for iso-stoichiometric co-conversion of ethane and CO2 to ethylene and CO","report_number":"SAND-2024-01097J","doi":"10.1038/s41467-024-44918-8","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>\n Developing atomically synergistic bifunctional catalysts relies on the creation of colocalized active atoms to facilitate distinct elementary steps in catalytic cycles. Herein, we show that the atomically-synergistic binuclear-site catalyst (ABC) consisting of\n <inline-formula>\n <alternatives>\n <tex-math>$${{{{{\\rm{Zn}}}}}}^{\\delta+}$$<\/tex-math>\n <math>\n <msup>\n <mrow>\n <mi>Zn<\/mi>\n <\/mrow>\n <mrow>\n <mi>δ<\/mi>\n <mo>+<\/mo>\n <\/mrow>\n <\/msup>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n -O-Cr\n <sup>6+<\/sup>\n on zeolite SSZ-13 displays unique catalytic properties for iso-stoichiometric co-conversion of ethane and CO\n <sub>2<\/sub>\n . Ethylene selectivity and utilization of converted CO\n <sub>2<\/sub>\n can reach 100 % and 99.0% under 500 °C at ethane conversion of 9.6%, respectively. In-situ/ex-situ spectroscopic studies and DFT calculations reveal atomic synergies between acidic Zn and redox Cr sites.\n <inline-formula>\n <alternatives>\n <tex-math>$${{{{{\\rm{Zn}}}}}}^{\\delta+}$$<\/tex-math>\n <math>\n <msup>\n <mrow>\n <mi>Zn<\/mi>\n <\/mrow>\n <mrow>\n <mi>δ<\/mi>\n <mo>+<\/mo>\n <\/mrow>\n <\/msup>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n (\n <inline-formula>\n <alternatives>\n <tex-math>$$0 \\, < \\, \\delta \\, < \\, 2$$<\/tex-math>\n <math>\n <mn>0<\/mn>\n <mspace/>\n <mo><<\/mo>\n <mspace/>\n <mi>δ<\/mi>\n <mspace/>\n <mo><<\/mo>\n <mspace/>\n <mn>2<\/mn>\n <\/math>\n <\/alternatives>\n <\/inline-formula>\n ) sites facilitate β-C-H bond cleavage in ethane and the formation of Zn-H\n <sup>\n <italic>δ<\/italic>\n -\n <\/sup>\n hydride, thereby the enhanced basicity promotes CO\n <sub>2<\/sub>\n adsorption/activation and prevents ethane C-C bond scission. The redox Cr site accelerates CO\n <sub>2<\/sub>\n dissociation by replenishing lattice oxygen and facilitates H\n <sub>2<\/sub>\n O formation/desorption. This study presents the advantages of the ABC concept, paving the way for the rational design of novel advanced catalysts.\n <\/p>","publication_date":"2024-01-30T00:00:00Z","entry_date":"2024-01-31T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Yang, Ji (ORCID:000000023997385X)","Wang, Lu","Wan, Jiawei (ORCID:0000000238055133)","El Gabaly, Farid (ORCID:0000000258229938)","Fernandes Cauduro, Andre L.","Mills, Bernice E.","Chen, Jeng-Lung (ORCID:0000000202235538)","Hsu, Liang-Ching (ORCID:0000000286039277)","Lee, Daewon","Zhao, Xiao (ORCID:000000031079664X)","Zheng, Haimei (ORCID:0000000338134170)","Salmeron, Miquel (ORCID:0000000228878128)","Wang, Caiqi (ORCID:0000000198849990)","Dong, Zhun","Lin, Hongfei (ORCID:0000000181981493)","Somorjai, Gabor A. (ORCID:0000000284782761)","Rosner, Fabian","Breunig, Hanna (ORCID:000000024727424X)","Prendergast, David (ORCID:0000000305981453)","Jiang, De-en (ORCID:0000000151670731)","Singh, Seema","Su, Ji (ORCID:000000032258162X)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","heterogeneous catalysis","materials for energy and catalysis"],"article_type":"Published Article","doe_contract_number":"NA0003525; SC0022273; AC02-05CH11231","orgs_sponsor":[{"name":"USDOE National Nuclear Security Administration (NNSA)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)"},{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"}],"sponsor_orgs":["USDOE National Nuclear Security Administration (NNSA)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)","USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"],"orgs_research":[{"name":"Sandia National Lab. (SNL-CA), Livermore, CA (United States)"},{"name":"Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"}],"research_orgs":["Sandia National Lab. (SNL-CA), Livermore, CA (United States)","Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)"],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 911; PII: 44918"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283244"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283244"}]}, {"osti_id":"2283085","title":"Critical role of slags in pitting corrosion of additively manufactured stainless steel in simulated seawater","doi":"10.1038/s41467-024-45120-6","product_type":"Journal Article","language":"English","country_publication":"United Kingdom","relation":"Journal Name: Nature Communications Journal Volume: 15 Journal Issue: 1","description":"<title>Abstract<\/title>\n <p>Pitting corrosion in seawater is one of the most difficult forms of corrosion to identify and control. A workhorse material for marine applications, 316L stainless steel (316L SS) is known to balance resistance to pitting with good mechanical properties. The advent of additive manufacturing (AM), particularly laser powder bed fusion (LPBF), has prompted numerous microstructural and mechanical investigations of LPBF 316L SS; however, the origins of pitting corrosion on as-built surfaces is unknown, despite their utmost importance for certification of LPBF 316L SS prior to fielding. Here, we show that Mn-rich silicate slags are responsible for pitting of the as-built LPBF material in sodium chloride due to their introduction of deleterious defects such as cracks or surface oxide heterogeneities. In addition, we explain how slags are formed in the liquid metal and deposited at the as-built surfaces using high-fidelity melt pool simulations. Our work uncovers how LPBF changes surface oxides due to rapid solidification and high-temperature oxidation, leading to fundamentally different pitting corrosion mechanisms.<\/p>","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-01-30T00:00:00Z","publisher":"Nature Publishing Group","journal_name":"Nature Communications","journal_issue":"1","journal_volume":"15","format":"Medium: X","authors":["Sen-Britain, Shohini (ORCID:0000000243690967)","Cho, Seongkoo (ORCID:0000000207714255)","Kang, ShinYoung","Qi, Zhen (ORCID:0000000264820839)","Khairallah, Saad","Rosas, Debra","Som, Vanna","Li, Tian T. (ORCID:0000000324095799)","Roger Qiu, S.","Morris Wang, Y. (ORCID:0000000303935154)","Wood, Brandon C. (ORCID:0000000214509719)","Voisin, Thomas (ORCID:0000000287462659)"],"article_type":"Published Article","subjects":[],"orgs_sponsor":[{"name":"USDOE"}],"sponsor_orgs":["USDOE"],"orgs_research":[],"research_orgs":[],"journal_issn":"ISSN 2041-1723","other_identifiers":["Journal ID: ISSN 2041-1723; 867; PII: 45120"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2283085"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2283085"}]}, {"osti_id":"2305614","title":"Ionic-like Superlattices by Charged Nanoparticles: A Step Toward Photonics Applications","report_number":"IS-J-11,253","doi":"10.1021/acsanm.3c05566","product_type":"Journal Article","language":"English","country_publication":"United States","relation":"Journal Name: ACS Applied Nano Materials; Journal Volume: 7; Journal Issue: 3","description":"Controlling interactions among nanoparticles is paramount to achieving assemblies vital to technologies seeking to exploit their cutting-edge collective properties. Although various techniques have been advanced, robust ones are necessary for upscaling nanoparticle assembly and crystallization. Here, we show that by grafting gold nanoparticles (AuNPs) with charge-end-group-thiolated poly(ethylene glycol), we control the charge of each AuNP. Such control facilitates the formation of various two-dimensional structures of oppositely charged binary constituents at vapor/liquid interfaces. Using surface-sensitive synchrotron X-ray diffraction techniques, we established the formation of distinct checkerboard square lattice structures at a range of pH values and molar ratios of the constituents. By regulating pH, the superlattices can transform from a square to a hexagonal lattice, or vice versa, and to a single-component superstructure at the interface. In conclusion, our recipe for the control of charges and their consequent interactions among nanoparticles can be readily exploited in the assembly of photonics and plasmonics devices in two and three dimensions.","publication_date":"2024-01-29T00:00:00Z","entry_date":"2024-02-22T00:00:00Z","publisher":"American Chemical Society (ACS)","journal_name":"ACS Applied Nano Materials","journal_issue":"3","journal_volume":"7","format":"Medium: ED; Size: p. 3220-3228","authors":["Nayak, Binay P. [Ames Lab., and Iowa State Univ., Ames, IA (United States)] (ORCID:0000000239954114)","Zhang, Honghu [Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)] (ORCID:0000000317847825)","Bu, Wei [Univ. of Chicago, IL (United States)] (ORCID:0000000299963733)","Ocko, Benjamin M. [Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)] (ORCID:0000000325961206)","Travesset, Alex [Ames Lab., and Iowa State Univ., Ames, IA (United States)] (ORCID:0000000170309570)","Vaknin, David [Ames Lab., and Iowa State Univ., Ames, IA (United States)] (ORCID:0000000208999248)","Mallapragada, Surya K. [Ames Lab., and Iowa State Univ., Ames, IA (United States)] (ORCID:0000000294827273)","Wang, Wenjie [Ames Laboratory (AMES), Ames, IA (United States)] (ORCID:0000000270791691)"],"subjects":["37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY","charge-polymer grafted nanoparticles","binary ionic-like superstructures","x-ray diffraction","phase-transformations","superstructures"],"article_type":"Accepted Manuscript","doe_contract_number":"AC-02-06CH11357; AC02- 07CH11358; SC0012704; NSF/CHE-1834750","orgs_sponsor":[{"name":"USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)"},{"name":"National Science Foundation (NSF)"}],"sponsor_orgs":["USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)","National Science Foundation (NSF)"],"orgs_research":[{"name":"Ames Laboratory (AMES), Ames, IA (United States)"}],"research_orgs":["Ames Laboratory (AMES), Ames, IA (United States)"],"journal_issn":"ISSN 2574-0970","other_identifiers":["Journal ID: ISSN 2574-0970"],"links":[{"rel":"citation","href":"https://www.osti.gov/biblio/2305614"},{"rel":"citation_doe_pages","href":"https://www.osti.gov/pages/biblio/2305614"}]} ]