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  1. Metabolic flux, metabolite, and transcript analysis uncover reprogramming of metabolism toward higher seed oil

    Overexpression of WRINKLED1 (WRI1), a master regulator of glycolysis and fatty acid biosynthesis, together with DIACYLGLYCEROL ACYLTRANSFERASE1 (DGAT1), which catalyzes the final step of triacylglycerol assembly, is a promising strategy for enhancing seed oil content. However, how these regulators coordinate system-wide metabolic reprogramming at the levels of gene expression, metabolite pools, and fluxes remains poorly understood. To address this, we performed 13C-metabolic flux analysis, metabolomics, and transcriptomics on in vitro cultured pennycress (Thlaspi arvense L.) embryos overexpressing the native WRI1 and DGAT1 homologs. Here, in cultured embryos, WRI1/DGAT1 overexpression increased triacylglycerol accumulation by 28% while reducing protein content by 34%,more » relative to the wild type. Embryos showed ∼20-fold and 50-fold upregulation of WRI1 and DGAT1 along with induction of WRI1 target genes in glycolysis and fatty acid biosynthesis. Genes associated with photosynthesis and Calvin cycle functions were also upregulated, whereas genes encoding ribosomal proteins and seed storage proteins were strongly repressed, consistent with the observed lipid–protein tradeoff. Flux analysis revealed that enhanced triacylglycerol biosynthesis is supported by increased flux through the Rubisco shunt and cytosolic pyruvate kinase, while the oxidative pentose phosphate pathway and malic enzyme contributed little to NADPH or pyruvate supply. Metabolomic profiling revealed extensive perturbations in glycolytic intermediates, tricarboxylic acid cycle metabolites, and amino acids. In plant grown seeds, WRI1/DGAT1 lines also showed a modest but significant increase in total lipid content. Collectively, these findings reveal how WRI1 and DGAT1 reprogram central metabolism to enhance oil accumulation, with relevance to mature seeds.« less
  2. Nanoconfined Grain Boundaries Increase the Conductivity of Polycrystalline Molecular Crystals

    Soft-solid molecular crystals consist of crystalline grains and fluid grain boundaries (GBs) that enhance the grain binding and transport of Li+ ions between the grains. The total ionic conductivity consists of ion migration in both the grains and GBs. To unravel these contributions in adiponitrile (Adpn):LiPF6 molecular crystals, the GB volume fraction was varied by changing the size of the crystals and the Adpn:LiPF6 molar ratio. Molecular dynamics (MD) simulations indicate that ion motion was subdiffusive in the grains and “well-diffusive” in the GBs, with GBs characterized as disordered nanoconfined regions of higher charge carrier concentration (∼1 M) than inmore » saturated Adpn:LiPF6 solutions (0.04 M), and Li+ ions predominantly solvated by cyano groups with few contact ion pairs. The diffusivity in the GBs is at least an order of magnitude higher than that in the crystalline grains. The emergent picture is the grains as a reservoir of ions that migrate to faster-conducting GBs.« less
  3. Decomposing sources of value for electricity and negative emissions technologies in net-zero power systems

    Deep decarbonization of the US power system would require rapid deployment of variable renewable energy (VRE) resources, which are projected to provide a substantial share of electricity generation at the time of net-zero emissions. However, the exact share of generation met by VRE and the roles of other technologies in supplying key electricity services—energy and firm capacity—remain uncertain. This study employs a detailed model of the US power sector to decompose the provision and value of electricity services, including negative emissions, by technology across a range of deep decarbonization scenarios. Results indicate that while technology deployment and the share ofmore » services provided by each technology vary significantly depending on future technological and market conditions, the value composition and future roles of individual technologies remain consistent. These findings offer guidance for research and development priorities and provide insights to inform electricity policy and planning.« less
  4. Diffusion and Deformation Mechanism Maps in Li Metal from Atomistic Simulations

    The rate of Li transport in the Li metal anode is important for the operation of Li metal-solid state batteries. Here, transport rates due to diffusion and creep are predicted in Li using atomistic simulations. First, molecular dynamics is used to estimate the rate of Li diffusion along dislocations and in grain boundary triple junctions. By combining this data with that from a prior study of grain boundary diffusion the dominant mechanisms and rates of self-diffusion in Li polycrystals are predicted as a function of grain size, grain shape, dislocation density, and temperature. Second, the dominant creep mechanisms are predictedmore » and used to estimate critical current densities and void annihilation times. Grain boundary sliding and coble creep are the dominant mechanisms for micron-sized grains. Lastly, a continuum model for interfacial contact loss reveals that high dislocation densities of ∼1012/cm2 enable achieving battery performance targets for Li grain sizes of ∼10 μm.« less
  5. Atomic-Scale Behavior of Radiation-Resistant ZnO under High-Energy Electron Bombardment

    Understanding the atomic structure and defect characteristics of ZnO thin films is crucial for optimizing their electronic properties and performance in advanced applications. Here, we investigate the atomic structure and defect characteristics of atomic layer deposition (ALD)-grown ZnO thin films by using aberration-corrected scanning transmission electron microscopy (STEM). Atomic-resolution imaging identifies prevalent stacking faults, dipole disorder, and various grain boundary types, which are believed to influence the electronic properties of ZnO. Additionally, real-time electron beam exposure experiments demonstrate structural transformations, including crystal growth and surface rearrangements. These findings provide insights into the growth mechanisms of ALD ZnO under high-energy electronmore » irradiation conditions, an important finding for the use of polycrystalline ZnO wide bandgap semiconductors in space-like conditions. In conclusion, our results underscore the capability of STEM in directly visualizing and quantifying atomic-scale defects and beam-induced transformations in radiation-resistant ZnO.« less
  6. A co-registered in-situ and ex-situ dataset from wire arc additive manufacturing process

    Recent progress in sensing techniques and data analytics tools have significantly accelerated the development of Wire Arc Additive Manufacturing (WAAM) systems. This data-centric approach emphasizes leveraging sensor data available throughout the production process to optimize performance. Integration of extensive data analysis provides opportunities for improving precision, reducing waste, and enhancing the quality of produced parts. This method relies on AI/ML models and optimization techniques, which are developed using the data collected from various sources, including in-situ sensors, ex-situ imaging, and manufacturing process parameters. The quality and diversity of this data, along with the alignment between different data streams (achieved throughmore » spatiotemporal registration) are critical for the successful development of AI/ML and optimization models. In this work, we present a spatiotemporally registered dataset generated during the WAAM process of deposition of a rectangular block. The dataset includes a comprehensive description of the deposition process, process parameters, welding characteristics and acoustic data collected in-situ, and X-Ray Computed Tomography data of the build.« less
  7. Precision Polishing of Ablator Capsules via in situ Process Monitoring and Machine Learning–Based Optimization

    In inertial confinement fusion (ICF) experiments seeking output gains of unity and beyond, the quality of the ablator capsule is paramount for minimizing the hydrodynamic mix that quenches the central hot spot. Defects in the form of foreign particles or missing mass on the surface and within the wall of the capsule are primary offenders. High-density carbon capsules made for ICF experiments at the National Ignition Facility are precision polished to achieve surface smoothness on the order of a few nanometers as well as to minimize isolated defects in the form of pits. Given the critical role of this process,more » we are developing smart manufacturing techniques with the goal of elevating the efficiency of this process. Our approach is to use MEMS (micro-electromechanical systems)–based sensors to capture the fine vibration signals generated during the polishing process and combine them with synchronized visual feedback as needed. Beyond using these sensors for process monitoring, we use specific deep learning methods to analyze the data and extract correlations with both the process parameters and the final performance of the polishing run. Here, in this work, we describe the multiple fronts we have explored in this regard and the results we have gotten so far. This approach promises to have the potential to ultimately provide real-time feedback that can be used to ensure the progress of the run as well as a means for faster optimization.« less
  8. Point-of-use filtration units as drinking water distribution system sentinels

    Abstract Municipal drinking water distribution systems (DWDSs) and associated premise plumbing (PP) systems are vulnerable to proliferation of opportunistic pathogens, even when chemical disinfection residuals are present, thus presenting a public health risk. Monitoring the structure of microbial communities of drinking water is challenging because of limited continuous access to faucets, pipes, and storage tanks. We propose a scalable household sampling method, which uses spent activated carbon and reverse osmosis (RO) membrane point-of-use (POU) filters to evaluate mid- to long-term occurrence of microorganisms in PP systems that are relevant to consumer exposure. As a proof of concept, POU filter microbiomesmore » were collected from four different locations and analyzed with 16S rRNA gene amplicon sequencing. The analyses revealed distinct microbial communities, with occasional detection of potential pathogens. The findings highlight the importance of local, and if possible, continuous monitoring within and across distribution systems. The continuous operation of POU filters offers an advantage in capturing species that may be missed by instantaneous sampling methods. We suggest that water utilities, public institutions, and regulatory agencies take advantage of end-of-life POU filters for microbial monitoring. This approach can be easily implemented to ensure drinking water safety, especially from microbes of emerging concerns; e.g., pathogenic Legionella and Mycobacterium species.« less
  9. Unraveling the Formation Mechanisms of Highly Oriented Tin Perovskite with a 3D-over-2D Heterostructure

    Tin-based perovskites (TinPVKs) have become the most promising candidates for lead-free perovskite solar cells, owing to its low toxicity and improved photovoltaic performance. However, due to the absence of 4f shell, TinPVKs suffer from uncontrolled crystallization, limiting the power conversion efficiency (PCE) of tin perovskite solar cells (TinPSCs). Here, we systematically study the ligand regulated crystallization process of TinPVK. We find that with elongated spin time, TinPVK crystals undergo reorientation and lateral growth. 3D α-phase FASnI3 and 2D (n = 2) and 2D (n = 1) phases emerge sequentially to form a “3D-over-2D” heterostructure via a proposed “diffusion-propagation” mechanism. TinPSCsmore » exhibit improved open circuit voltage (VOC) due to favorable energy level alignment of the 3D-over-2D heterostructure, with a champion PCE value of 13.07% and T80 value of over 1200 h. Furthermore, this work provides mechanistic insights on controlled crystallization and heterostructure formation of TinPVKs, paving the way toward high-efficiency TinPSCs.« less
  10. DuraMAT: Building a Consortium to Accelerate the Photovoltaic Module Reliability Learning Cycle

    Durable and reliable photovoltaic (PV) modules are critical to enabling an efficient transition to sustainable energy generation. The rate at which new module designs and materials are developed and deployed currently outpaces the rate at which we can identify failure mechanisms and understand degradation rates. Increasing the service life of PV modules, and our ability to predict performance over time, requires more durable materials and designs, better durability testing, more extensive material characterization, robust modeling, and methods to cross-examine historical performance data to extract meaningful results. This is a multidisciplinary challenge that requires expertise from a broad range of fieldsmore » and, therefore, benefits significantly from a collaborative approach. In this Perspective, we outline the approach taken by the Durable Module Materials Consortium (DuraMAT), present a few case studies where our approach was successful, and provide an outlook on where this approach might be applied as the PV technology landscape continues to rapidly evolve. Published by the American Physical Society 2024« less
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