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Sample records for angew chem int

  1. Berend Smit | Center for Gas SeparationsRelevant to Clean Energy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    sorbents and membranes and their interaction with gases. ... the Critical Point of a Pure Substance. Angew. Chem., Int. ... Sondre K.; Dzubak, Allison; Lee, Kyuho; Planas, Nora; ...

  2. 2015 | Center for Gas SeparationsRelevant to Clean Energy Technologies...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    in Metal-Organic Frameworks. ... Continue reading ... ... the Critical Point of a Pure Substance. Angew. Chem., Int. ... Sondre K.; Dzubak, Allison; Lee, Kyuho; Planas, Nora; ...

  3. Q-Chem

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Q-Chem Q-Chem Description Q-Chem is a modern object-oriented quantum chemistry program. A variety of electronic structure methods (Hartree-FockSCF ,DFT, MPn, Coupled Cluster) are...

  4. Enhancing Amine-Supported Materials for Ambient Air Capture ...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Enhancing Amine-Supported Materials for Ambient Air Capture Previous Next List Julian P. Sculley, Hong-Cai Zhou, Angew. Chem. Int. Ed., 51, 12660-12661 (2012) DOI: 10.1002...

  5. Carbon Dioxide Capture: Prospects for New Materials | Center...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Carbon Dioxide Capture: Prospects for New Materials Previous Next List D. M. D'Alessandro, B. Smit, and J. R. Long, Angew. Chem.-Int. Edit. 49 (35), 6058 (2010) DOI: 10.1002...

  6. Azobenzene-Functionalized Metal-Organic Polyhedra for the Optically...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    of Guest Molecules Previous Next List Jinhee Park, Lin-Bing Sun, Ying-Pin Chen, Zachary Perry and Hong-Cai Zhou, Angew. Chem. Int. Ed., 53, 5842-5846 (2014) DOI: 10.1002...

  7. "Heterogeneity within Order" in Metal-Organic Frameworks | Center...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    within Order" in Metal-Organic Frameworks Previous Next List Hiroyasu Furukawa, Ulrich Mller and Omar M. Yaghi, Angew. Chem. Int. Ed. 54, 3417-3430 (2015) DOI: 10.1002...

  8. Chung Hsin Electric Machinery Manufacturing Corporation CHEM...

    Open Energy Info (EERE)

    Chung Hsin Electric Machinery Manufacturing Corporation CHEM Jump to: navigation, search Name: Chung Hsin Electric & Machinery Manufacturing Corporation (CHEM) Place: Taoyuan...

  9. A. Sobiczewski, Int. Symp. on SHN,

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Sobiczewski, Int. Symp. on SHN, Texas A&M Univ., 31.3.-02.04. 2015 1 Theoretical description of decay chains of SHN 1. Introduction 2. Model of description 2a) decay energy Qα 2b) decay half-life Tα 3. Results and discussion 4. Conclusions Intern. Symp. on SHN, Texas A&M Univ., March 31 - April 2, 2015 A. Sobiczewski NCBJ - Warsaw, GSI - Darmstadt, JINR - Dubna A. Sobiczewski, Int. Symp. on SHN, Texas A&M Univ., 31.3.-02.04. 2015 2 1. Introduction Illustration of the quality of a

  10. PowerChem | Open Energy Information

    Open Energy Info (EERE)

    Name: PowerChem Place: Nevada Sector: Geothermal energy, Services Product: Nevada based chemical engineering organization providing products and services to companies active in...

  11. Mars Rover's ChemCam Instrument gets

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Rover's ChemCam Instrument gets sharper vision May 21, 2015 Novel software update fixes autofocus glitch LOS ALAMOS, N.M., May 21, 2015-NASA's Mars Curiosity Rover's "ChemCam" instrument just got a major capability fix, as Los Alamos National Laboratory scientists uploaded a software repair for the auto-focus system on the instrument. "Last November we discovered that a small laser used to focus the ChemCam telescope on its targets had failed" said Roger Wiens, instrument

  12. ChemCam sends digital 'thumbs up'

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ChemCam sends digital 'thumbs up' ChemCam sends digital 'thumbs up' Members of the team got a digital thumbs up about the operational readiness of their instrument just hours after the rover landed on Martian soil. August 8, 2012 Researchers from LANL and the French Space Agency examine data from the Mars Science Laboratory Curiosity rover from inside the ChemCam Operations Center at NASA's Jet Propulsion Laboratory on Monday, Aug. 6, 2012, less than a day after the rover landed on Mars. The

  13. Int'l Smart Grid Action Network | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Int'l Smart Grid Action Network Int'l Smart Grid Action Network International PDF icon Int'l Smart Grid Action Network More Documents & Publications Clean Energy Ministerial Press Fact Sheet IEA: Tracking Clean Energy Progress: Energy Technology Perspectives 2012 Joint Statement by Energy Ministers of G8, The People's Republic of China, India and The Republic of Korea (June 2008)

  14. Atmos. Chem. Phys., 15, 153-172, ...

    Office of Scientific and Technical Information (OSTI)

    ... The three participating WRF-Chem models (PNNL, IOWA, and UW) show somewhat differing cloud characteris- tics but are similar in some other respects. Since they use dif- ferent PBL ...

  15. Uni Chem Co Ltd | Open Energy Information

    Open Energy Info (EERE)

    Korea (Republic)-based firm that manufactures and sells leather for a variety of functions. The firm has a solar subsidiary. References: Uni-Chem Co Ltd1 This article is a...

  16. Curiosity Mars Rover's ChemCam

    Broader source: Energy.gov [DOE]

    To carry out its mission, the Curiosity Mars rover relies on the most advanced suite of instruments ever sent to the Martian surface –- among them, a laser-firing tool called the ChemCam.

  17. Mars Rover's ChemCam Instrument gets

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    at Los Alamos. "Without this laser rangefinder, the ChemCam instrument was somewhat blind. The main laser that creates flashes of plasma when it analyzes rocks and soils up to...

  18. ChemMatCARS Data Archive

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    ChemMatCARS is a high-brilliance national synchrotron x-ray facility dedicated primarily to static and dynamic condensed matter chemistry and materials science. The scientific focus of the facility includes the study of surface and interfacial properties of liquids and solids as well as their bulk structure at atomic, molecular and mesoscopic length scales with high spatial and energy resolution. Experimental techniques supported by the facility include: 1) Liquid Surface X-ray Scattering; 2) Solid Surface X-ray Scattering; 3) Time-Resolved Crystallography; 4) Micro-Crystal Diffraction; 5) Small and Wide-angle X-ray Scattering. The data archive referenced here contains data for various components along the beamline within the First Optics Enclosure and is intended to be input or parameter data. See the Science Nuggets at http://cars9.uchicago.edu/chemmat/pages/nuggets.html for leads to some of the research conducted at the ChemMatCARS beamline.

  19. ChemCam data abundant at Planetary Conference

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ChemCam data abundant at Planetary Conference ChemCam data abundant at Planetary Conference Members of the Mars Science Laboratory Curiosity rover ChemCam team will present more than two dozen posters and talks during the 44th Lunar and Planetary Science Conference. March 15, 2013 This image shows the ChemCam mast unit mounted on the Curiosity rover as it is being prepared in the clean room prior to the launch of NASA's Mars Science Laboratory mission. ChemCam fires a powerful laser that can

  20. M.O. Wascko, LSU NuInt05...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    O. Wascko, LSU NuInt05 26 September, 2005 MiniBooNE CC + CCQE Ratio M.O. Wascko, LSU J.R. Monroe, Columbia CC interactions Quasi-Elastic (CCQE) Inclusive Single +...

  1. Mars Rover's ChemCam Instrument gets sharper vision

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mars Rover's ChemCam Instrument gets sharper vision Mars Rover's ChemCam Instrument gets sharper vision NASA's Mars Curiosity Rover's "ChemCam" instrument just got a major capability fix, as Los Alamos National Laboratory scientists uploaded a software repair for the auto-focus system on the instrument. May 21, 2015 SuperCam builds upon the successful capabilities demonstrated aboard the Curiosity Rover during NASA's current Mars Mission. Yellowjacket is the first rock targeted by

  2. LANL Researcher Roger Wiens Discusses ChemCam

    ScienceCinema (OSTI)

    Wiens, Roger

    2014-08-12

    Discussion of the ChemCam instrument on the Curiosity Rover that occurred during the NASA press conference prior to launch of the Mars Science Laboratory. The ChemCam instrument was developed by Los Alamos National Laboratory and the French Space Institute. Los Alamos National Laboratory researcher Roger Wiens discusses the instrument on this video. ChemCam uses a laser to "zap" features of the Martian landscape and then uses a spectrometer to gather information about the composition of the sample. ChemCam will help the Curiosity Rover determine whether Mars is or was habitable. The Rover is expected to touch down on the Red Planet on August 5, 2012.

  3. ThermoChem Recovery International Inc | Open Energy Information

    Open Energy Info (EERE)

    Product: ThermoChem Recovery International is commercialising proprietary technology for chemical and energy recovery systems for the pulp and paper industry. References:...

  4. ChemCam all-women's operations day

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ChemCam all-women's operations day ChemCam all-women's operations day The Mars Curiosity Rover celebrated one year on the Red Planet, and to commemorate the event, ChemCam team members had an all-women operations day. June 30, 2014 Pictured from left to right are Cindy Little, Agnes Cousin, Nina Lanza, Dot Delapp and Hannah Pagel. Pictured from left to right are Cindy Little, Agnes Cousin, Nina Lanza, Dot Delapp and Hannah Pagel. ChemCam has played a crucial role in many of the rover's

  5. Photochromic Metal-Organic Frameworks: Reversible Control of Singlet

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Oxygen Generation | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Photochromic Metal-Organic Frameworks: Reversible Control of Singlet Oxygen Generation Previous Next List Jihye Park, Dawei Feng, Shuai Yuan and Hong-Cai Zhou, Angew. Chem. Int. Ed. 54, 430-435 (2014) DOI: 10.1002/anie.201408862 Abstract: The controlled generation of singlet oxygen is of great interest owing to its potential applications including industrial wastewater treatment,

  6. Polyamine-Tethered Porous Polymer Networks for Carbon Dioxide Capture from

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Flue Gas | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Polyamine-Tethered Porous Polymer Networks for Carbon Dioxide Capture from Flue Gas Previous Next List Weigang Lu, Julian P. Sculley, Daqiang Yuan, Rajamani Krishna, Zhangwen Wei, Hong-Cai Zhou, Angew. Chem. Int. Ed., 51, 7480-7484 (2012) DOI: 10.1002/anie.201202176 Thumbnail image of graphical abstract Abstract: The introduction of polyamines in porous polymer networks results in significant

  7. Cooperative Cluster Metalation and Ligand Migration in Zirconium

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Metal-Organic Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Cluster Metalation and Ligand Migration in Zirconium Metal-Organic Frameworks Previous Next List Yuan, Shuai; Chen, Ying-Pin; Qin, Junsheng; Lu, Weigang; Wang, Xuan; Zhang, Qiang; Bosch, Mathieu; Liu, Tian-Fu; Lian, Xizhen; and Zhou, Hong-Cai. Cooperative Cluster Metalation and Ligand Migration in Zirconium Metal-Organic Frameworks. Angew. Chem., Int. Ed., 54, 14696-14700 (2015). DOI:

  8. Nanoporous Materials Can Tune the Critical Point of a Pure Substance |

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Nanoporous Materials Can Tune the Critical Point of a Pure Substance Previous Next List Braun, Efrem; Chen, Joseph J.; Schnell, Sondre K.; Lin, Li-Chiang; Reimer, Jeffrey A.; and Smit, Berend. Nanoporous Materials Can Tune the Critical Point of a Pure Substance. Angew. Chem., Int. Ed., 48, 114349-14352 (2015). DOI: 10.1002/anie.201506865 NanoporousMaterialsCanTune Abstract: Molecular simulations and NMR

  9. Slide 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Selective production of p-xylene from biomass via catalytic fast pyrolysis (CFP). Significance and Impact This study opens the door to inexpensive production of renewable p-xylene from lignocellulosic biomass. Selective Production of p-Xylene from Biomass via CFP Work was performed at University of Massachusetts-Amherst Cheng, Y. -T.; Wang, Z. P.; Gilbert, C. J.; Fan, W.; Huber, G. W. Angew. Chem. Int. Ed. 2012, published online, DOI: 10.1002/anie.201205230 Research Details - p-xylene

  10. Mars Rover's ChemCam Instrument gets sharper vision

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    aboard the Curiosity Rover during NASA's current Mars Mission. Yellowjacket is the first rock targeted by ChemCam after checkout of the auto-focus repair. It is a layered...

  11. ChemCam data abundant at Planetary Conference

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    a powerful laser that can sample Martian rocks and provide critical clues about the Red Planet's habitability. This image shows the ChemCam mast unit mounted on the Curiosity...

  12. KAT Chem GmbH | Open Energy Information

    Open Energy Info (EERE)

    Carbon, Hydro Product: Focused on development of processes for the reforming of hydrocarbons. References: KAT Chem GmbH1 This article is a stub. You can help OpenEI by...

  13. ChromPlot for MicroChemLab

    Energy Science and Technology Software Center (OSTI)

    2001-12-19

    The software entitled "ChromPlot for MicroChemLab" is used to collect, display, and save data from the Sandia National Laboratories chemical analysis system dubbed MicroChemLab. Sensor data is streamed from a MicroChemLab unit into a computer thru RS-232 in a manner that is not amenable to plotting. Also, there is no direct way to start and stop the unit as is. This software rearranges the data into something that can be easily plotted in real-time thenmore » save the data into a text file. In addition, this software provides the users a means to start and stop the hardware. This software was written specifically for MicroChemLab. MicroChemLab data is delivered at 6- 7 pts/sec/channel in a two-channel system for 1-2 min. This code is written around that premise. It is written for Pentium or higher machines running Windows 9x/Me/NT/2000/XP. This software was not developed under the BMS CRADA; it is software we use in the lab for our own testing. Bristol Meyers Squibb (BMS) will use this software for testing an online process monitor based on MicroChemLab. They have not indicated their interest in marketing our device or the software.« less

  14. ChemCam laser first analyses yield beautiful results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ChemCam laser first analyses ChemCam laser first analyses yield beautiful results The laser instrument has fired nearly 500 shots so far that have produced strong, clear data about the composition of the Martian surface. August 23, 2012 This photo mosaic shows the scour mark, dubbed Goulburn, left by the thrusters on the sky crane that helped lower NASA's Curiosity rover to the Red Planet. It is located 16 to 20 feet (5 to 6 meters) to the left of the rover's landing position. The sky crane

  15. UNC EFRC - Center for Solar FuelsUNC EFRC - Center for Solar Fuels

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    3 - 50 Publications 107. Chen, Z.; Meyer, T. J. Copper(II) Catalysis of Water Oxidation. Angew. Chem. Int. Ed. 2013, 52 (2), 700-703. LINK 108. Hanson, K.; Losego, M. D.; Kalanyan, B.; Ashford, D. L.; Parsons, G. N.; Meyer, T. J. Stabilization of [Ru(bpy)2(4,4'-(PO3H2)bpy)]2+ on Mesoporous TiO2 with Atomic Layer Deposition of Al2O3. Chem. Mater. 2013, 25 (1), 3-5. LINK 109. Luo, H. L.; Song, W. J.; Hoertz, P. G.; Hanson, K.; Ghosh, R.; Rangan, S.; Brennaman, M. K.; Concepcion, J. J.; Binstead,

  16. ZeaChem Pilot Project: High-Yield Hybrid Cellulosic Ethanol Process...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ZeaChem Pilot Project: High-Yield Hybrid Cellulosic Ethanol Process Using High-Impact Feedstock for Commercialization ZeaChem Pilot Project: High-Yield Hybrid Cellulosic Ethanol...

  17. ChemCam Rock Laser for the Mars Science Laboratory

    ScienceCinema (OSTI)

    LANL

    2009-09-01

    Los Alamos has a long history of space-related instr... Los Alamos has a long history of space-related instruments, tied primarily to its role in defense-related treaty verification. Space-based detectors have helped determine the differences between signals from lightning bolts and potential nuclear explosions. LANL-developed gamma-ray detection instruments first revealed the existence of what we now know as gamma-ray bursts, an exciting area of astrophysical research. And the use of LANL instruments on varied space missions continues with such products as the ChemCam rock laser for NASA, shown here. The Engineering Model of the ChemCam Mars Science Laboratory rover instrument arrived at NASA's Jet Propulsion Laboratory on February 6, 2008. ChemCam will use imaging and laser-induced breakdown spectroscopy (LIBS) to determine rock and soil compositions on Mars, up to 9 meters from the rover. The engineering model is being integrated into the rover test bed for the development and testing of the rover software. The actual flight model components are concurrently being assembled at Los Alamos and in Toulouse, France, and will be delivered to JPL in July. The Mars Science Laboratory is scheduled to launch in 2009. Animations courtesy of JPL/NASA.

  18. ChemCam rock laser for Mars Science Laboratory "Curiosity"

    ScienceCinema (OSTI)

    Wiens, Roger

    2014-08-12

    Los Alamos has a long history of space-related instruments, tied primarily to its role in defense-related treaty verification. Space-based detectors have helped determine the differences between signals from lightning bolts and potential nuclear explosions. LANL-developed gamma-ray detection instruments first revealed the existence of what we now know as gamma-ray bursts, an exciting area of astrophysical research. And the use of LANL instruments on varied space missions continues with such products as the ChemCam rock laser for NASA, shown here. The Engineering Model of the ChemCam Mars Science Laboratory rover instrument arrived at NASA's Jet Propulsion Laboratory on February 6, 2008. The Flight Model was shipped in August, 2010 for installation on the rover at JPL. ChemCam will use imaging and laser-induced breakdown spectroscopy (LIBS) to determine rock and soil compositions on Mars, up to 9 meters from the rover. The engineering model is being integrated into the rover test bed for the development and testing of the rover software. The actual flight model components were concurrently assembled at Los Alamos and in Toulouse, France. The Mars Science Laboratory is scheduled to launch in 2011. Animations courtesy of JPL/NASA.

  19. Implementing marine organic aerosols into the GEOS-Chem model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Gantt, B.; Johnson, M. S.; Crippa, M.; Prévôt, A. S. H.; Meskhidze, N.

    2014-09-09

    Marine organic aerosols (MOA) have been shown to play an important role in tropospheric chemistry by impacting surface mass, cloud condensation nuclei, and ice nuclei concentrations over remote marine and coastal regions. In this work, an online marine primary organic aerosol emission parameterization, designed to be used for both global and regional models, was implemented into the GEOS-Chem model. The implemented emission scheme improved the large underprediction of organic aerosol concentrations in clean marine regions (normalized mean bias decreases from -79% when using the default settings to -12% when marine organic aerosols are added). Model predictions were also in goodmore » agreement (correlation coefficient of 0.62 and normalized mean bias of -36%) with hourly surface concentrations of MOA observed during the summertime at an inland site near Paris, France. Our study shows that MOA have weaker coastal-to-inland concentration gradients than sea-salt aerosols, leading to several inland European cities having > 10% of their surface submicron organic aerosol mass concentration with a marine source. The addition of MOA tracers to GEOS-Chem enabled us to identify the regions with large contributions of freshly-emitted or aged aerosol having distinct physicochemical properties, potentially indicating optimal locations for future field studies.« less

  20. Implementing marine organic aerosols into the GEOS-Chem model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Gantt, B.; Johnson, M. S.; Crippa, M.; Prévôt, A. S. H.; Meskhidze, N.

    2015-03-17

    Marine-sourced organic aerosols (MOAs) have been shown to play an important role in tropospheric chemistry by impacting surface mass, cloud condensation nuclei, and ice nuclei concentrations over remote marine and coastal regions. In this work, an online marine primary organic aerosol emission parameterization, designed to be used for both global and regional models, was implemented into the GEOS-Chem (Global Earth Observing System Chemistry) model. The implemented emission scheme improved the large underprediction of organic aerosol concentrations in clean marine regions (normalized mean bias decreases from -79% when using the default settings to -12% when marine organic aerosols are added). Modelmore » predictions were also in good agreement (correlation coefficient of 0.62 and normalized mean bias of -36%) with hourly surface concentrations of MOAs observed during the summertime at an inland site near Paris, France. Our study shows that MOAs have weaker coastal-to-inland concentration gradients than sea-salt aerosols, leading to several inland European cities having >10% of their surface submicron organic aerosol mass concentration with a marine source. The addition of MOA tracers to GEOS-Chem enabled us to identify the regions with large contributions of freshly emitted or aged aerosol having distinct physicochemical properties, potentially indicating optimal locations for future field studies.« less

  1. Hydrogen isotope MicroChemLab FY15.

    SciTech Connect (OSTI)

    Robinson, David; Luo, Weifang; Stewart, Kenneth D.

    2015-09-01

    We have developed a new method to measure the composition of gaseous mixtures of any two hydrogen isotopes, as well as an inert gas component. When tritium is one of those hydrogen isotopes, there is usually some helium present, because the tritium decays to form helium at a rate of about 1% every 2 months. The usual way of measuring composition of these mixtures involves mass spectrometry, which involves bulky, energy-intensive, expensive instruments, including vacuum pumps that can quite undesirably disperse tritium. Our approach uses calorimetry of a small quantity of hydrogen-absorbing material to determine gas composition without consuming or dispersing the analytes. Our work was a proof of principle using a rather large and slow benchtop calorimeter. Incorporation of microfabricated calorimeters, such as those that have been developed in Sandias MicroChemLab program or that are now commercially available, would allow for faster measurements and a smaller instrument footprint.

  2. Laser-Firing ChemCam Vital to Curiosity Rover’s Tour of Mars

    Broader source: Energy.gov [DOE]

    The Curiosity rover relies on the most advanced suite of instruments ever sent to Mars -- among them, a laser-firing tool called the ChemCam.

  3. ChemCam laser sets its sights on first martian target

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    First martian target ChemCam laser sets its sights on first martian target The successful capture of ChemCam's first 10 photos sets the stage for the first test bursts of the instrument's rock-zapping laser in the near future. August 17, 2012 Curiosity zaps Mars for vital signs: ChemCam, designed by Lab team, looks for elements such as carbon, nitrogen, and oxygen, all of which are crucial for life. Curiosity zaps Mars for vital signs: ChemCam, designed by Lab team, looks for elements such as

  4. R. Tayloe, Indiana U. NuInt07 1 Measuring Neutrino Interactions

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    NuInt07 1 Measuring Neutrino Interactions with MiniBooNE Outline: - overview - experiment - ν beam, detector, analysis - ν reactions and rates - overview of MiniBooNE measurements - antineutrino running ν µ µ - W n p Z ∆ p,n p,n π 0 ν µ ν µ W ∆ +(+) p,n p,n π + ν µ µ - R. Tayloe, Indiana U. NuInt07 2 Neutrino Interactions with MiniBooNE - The main goal of MiniBooNE (MB) is a ν µ → ν e search - High rates and good particle ID also allow accurate measurements of neutrino

  5. ChemLabBox for SnifferStars

    Energy Science and Technology Software Center (OSTI)

    2002-01-24

    The software entitled "ChemLabBox for SnifferStars" is used to collect, display, and save data from the Sandia National Laboratories chemical analysis system dubbed SnifferStar. Sensor data is streamed from a SnifferStar unit into a computer thru RS-232 in a manner that is not amendable to plotting. Also, there is no direct way to start and stop the unit as is. This software rearranges the data into something that can be easily plotted in real-time thenmore » saves the data into a text fild. In addition, this software provides the users a means to start and stop the hardware. This software was written specifically for SnifferStar. SnifferStar data is delivered at a very fast rate but for a short period of time. This software is written around that premise. It is written for Pentium or higher machines running Windows 95/98/ME/NT/2000/XP. Lockheed Martin is interested in using it for testing SnifferStar units before deployment. To date they have not indicated their intent to deliver the code either in part or whole as part of their product.« less

  6. Symmetry-Guided Synthesis of Highly Porous Metal-Organic Frameworks with

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Fluorite Topology | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Symmetry-Guided Synthesis of Highly Porous Metal-Organic Frameworks with Fluorite Topology Previous Next List Muwei Zhang, Ying-Pin Chen, Mathieu Bosch, Thomas Gentle III, Kecheng Wang, Dawei Feng, Zhiyong U. Wang, Hong-Cai Zhou, Angew. Chem. Int. Ed., 53, 815-818 (2014) DOI: 10.1002/anie.201307340 nfig001.gif Abstract: Two stable, non-interpenetrated MOFs, PCN-521 and PCN-523, were

  7. Understanding CO2 Dynamics in Metal-Organic Frameworks wit Open Metal

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Sites | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome CO2 Dynamics in Metal-Organic Frameworks wit Open Metal Sites Previous Next List Li-Chiang Lin, Jihan Kim, Xueqian Kong, Eric Scott, Thomas M. McDonald, Jeffrey R. Long, Jeffrey A. Reimer, and Berend Smit, Angew. Chem. Int. Ed.,52, 4410-4413 (2013) DOI: 10.1002/anie.201300446 mcontent.gif Abstract: Metal-organic frameworks such as Mg-MOF-74 possess open metal sites that interact strongly with CO2.

  8. Zirconium-Metalloporphyrin PCN-222: Mesoporous Metal-Organic Frameworks

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with Ultrahigh Stability as Biomimetic Catalysts | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Zirconium-Metalloporphyrin PCN-222: Mesoporous Metal-Organic Frameworks with Ultrahigh Stability as Biomimetic Catalysts Previous Next List Dawei Feng, Zhi-Yuan Gu, Jian-Rong Li, Hai-Long Jiang, Zhangwen Wei, Hong-Cai Zhou, Angew. Chem. Int. Ed., 51: 10307-10310 (2012) DOI: 10.1002/anie.201204475 mcontent.gif Abstract: Extremely stable MOFs with different open

  9. 38th Int. Conf. on Vacuum UV and X-ray Physics - VUVX2013

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    38th Int. Conf. on Vacuum UV and X-ray Physics - VUVX2013 http://vuvx2013.ustc.edu.cn/dct/page/1 12-18 July, 2013; Hefei, China

  10. Quick Fix Gives Mars Rover's ChemCam Sharper Vision | Department of

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Energy Quick Fix Gives Mars Rover's ChemCam Sharper Vision Quick Fix Gives Mars Rover's ChemCam Sharper Vision June 12, 2015 - 3:08pm Addthis This self-portrait of NASA's Curiosity Mars rover shows the vehicle at the "Mojave" site on Mount Sharp, combining dozens of images taken in January 2015. The circle visible at the top of the rover's mast is part of the ChemCam instrument developed in part by Los Alamos National Laboratory. | Photo courtesy of NASA/JPL-Caltech/MSSS This

  11. ChemCam contributions to the Lunar and Planetary Science Conference...

    Office of Scientific and Technical Information (OSTI)

    Title: ChemCam contributions to the Lunar and Planetary Science Conference Authors: Forni, O. 1 ; Mangold, N 2 ; Ollila, Ann M. 3 ; Anderson, R. 4 ; Berger, G. 5 ; ...

  12. ChemCam follows the 'Yellowknife Road' to Martian wet area

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Researchers from the Mars Science Laboratory's ChemCam team today described how the laser instrument aboard the Curiosity Rover-an SUV-sized vehicle studying the surface of the Red ...

  13. The ChemCam instrument for the 2011 Mars science laboratory mission: system

    Office of Scientific and Technical Information (OSTI)

    requirements and performance (Conference) | SciTech Connect The ChemCam instrument for the 2011 Mars science laboratory mission: system requirements and performance Citation Details In-Document Search Title: The ChemCam instrument for the 2011 Mars science laboratory mission: system requirements and performance Authors: Wiens, Roger C [1] ; Barraclough, Bruce L [1] ; Bender, Steve C [1] ; Perez, R. [2] ; Cousin, A. [3] ; Cros, A. [3] ; De Flores, L. [4] ; Leroch, N. [5] ; Maurice, S. [3] ;

  14. The ChemCam instrument for the 2011 Mars science laboratory mission: system

    Office of Scientific and Technical Information (OSTI)

    requirements and performance (Conference) | SciTech Connect The ChemCam instrument for the 2011 Mars science laboratory mission: system requirements and performance Citation Details In-Document Search Title: The ChemCam instrument for the 2011 Mars science laboratory mission: system requirements and performance × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is

  15. Calibrating the ChemCam LIBS for carbonate minerals on Mars

    SciTech Connect (OSTI)

    Wiens, Roger C; Clegg, Samuel M; Ollila, Ann M; Barefield, James E; Lanza, Nina; Newsom, Horton E

    2009-01-01

    The ChemCam instrument suite on board the NASA Mars Science Laboratory (MSL) rover includes the first LIBS instrument for extraterrestrial applications. Here we examine carbonate minerals in a simulated martian environment using the LIDS technique in order to better understand the in situ signature of these materials on Mars. Both chemical composition and rock type are determined using multivariate analysis (MVA) techniques. Composition is confirmed using scanning electron microscopy (SEM) techniques. Our initial results suggest that ChemCam can recognize and differentiate between carbonate materials on Mars.

  16. ChemCam on Mars (Technical Report) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ChemCam on Mars Citation Details In-Document Search Title: ChemCam on Mars Authors: Clegg, Samuel M. [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2012-10-17 OSTI Identifier: 1053549 Report Number(s): LA-UR-12-25600 DOE Contract Number: AC52-06NA25396 Resource Type: Technical Report Research Org: Los Alamos National Laboratory (LANL) Sponsoring Org: NASA Country of Publication: United States Language: English Subject: Atomic & Molecular Physics(74) Word

  17. Laboratory Curiosity rover ChemCam team, including Los Alamos National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    first analyses yield beautiful results August 23, 2012 Curiosity beams back strong, clear data from 'scour' area on Martian surface LOS ALAMOS, NEW MEXICO, August 23, 2012-Members of the Mars Science Laboratory Curiosity rover ChemCam team, including Los Alamos National Laboratory scientists, squeezed in a little extra target practice after zapping the first fist-sized - 2 - rock that was placed in the laser's crosshairs last weekend.Much to the delight of the scientific team, the laser

  18. ChemCam for Mars Science Laboratory rover, undergoing pre-flight testing

    ScienceCinema (OSTI)

    None

    2014-08-12

    Los Alamos National Laboratory and partners developed a laser instrument, ChemCam, that will ride on the elevated mast of the Mars Science Laboratory rover Curiosity. The system allows Curiosity to "zap" rocks from a distance, reading their chemical composition through spectroscopic analysis. In this video, laboratory shaker-table testing of the instrument ensures that all of its components are solidly attached and resistant to damage from the rigors of launch, travel and landing.

  19. ChemCam follows the 'Yellowknife Road' to Martian wet area

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    'Yellowknife Road' to martian wet area ChemCam follows the 'Yellowknife Road' to martian wet area Researchers have tracked a trail of minerals that point to the prior presence of water at the Curiosity rover site on Mars. January 15, 2013 The Mars Science Laboratory's Curiosity Rover recently took this photo of the Martian landscape looking toward Mount Sharp while on its way toward Yellowknife Bay-an area where researchers have found minerals indicating the past presence of water. (NASA Photo)

  20. A New WRF-Chem Treatment for Studying Regional Scale Impacts of Cloud-Aerosol Interactions in Parameterized Cumuli

    SciTech Connect (OSTI)

    Berg, Larry K.; Shrivastava, ManishKumar B.; Easter, Richard C.; Fast, Jerome D.; Chapman, Elaine G.; Liu, Ying

    2015-01-01

    A new treatment of cloud-aerosol interactions within parameterized shallow and deep convection has been implemented in WRF-Chem that can be used to better understand the aerosol lifecycle over regional to synoptic scales. The modifications to the model to represent cloud-aerosol interactions include treatment of the cloud dropletnumber mixing ratio; key cloud microphysical and macrophysical parameters (including the updraft fractional area, updraft and downdraft mass fluxes, and entrainment) averaged over the population of shallow clouds, or a single deep convective cloud; and vertical transport, activation/resuspension, aqueous chemistry, and wet removal of aerosol and trace gases in warm clouds. Thesechanges have been implemented in both the WRF-Chem chemistry packages as well as the Kain-Fritsch cumulus parameterization that has been modified to better represent shallow convective clouds. Preliminary testing of the modified WRF-Chem has been completed using observations from the Cumulus Humilis Aerosol Processing Study (CHAPS) as well as a high-resolution simulation that does not include parameterized convection. The simulation results are used to investigate the impact of cloud-aerosol interactions on the regional scale transport of black carbon (BC), organic aerosol (OA), and sulfate aerosol. Based on the simulations presented here, changes in the column integrated BC can be as large as -50% when cloud-aerosol interactions are considered (due largely to wet removal), or as large as +35% for sulfate in non-precipitating conditions due to the sulfate production in the parameterized clouds. The modifications to WRF-Chem version 3.2.1 are found to account for changes in the cloud drop number concentration (CDNC) and changes in the chemical composition of cloud-drop residuals in a way that is consistent with observations collected during CHAPS. Efforts are currently underway to port the changes described here to WRF-Chem version 3.5, and it is anticipated that they will be included in a future public release of WRF-Chem.

  1. Melting of “non-magic” argon clusters and extrapolation to the bulk limit

    SciTech Connect (OSTI)

    Senn, Florian Wiebke, Jonas; Schumann, Ole; Gohr, Sebastian; Schwerdtfeger, Peter; Pahl, Elke

    2014-01-28

    The melting of argon clusters Ar{sub N} is investigated by applying a parallel-tempering Monte Carlo algorithm for all cluster sizes in the range from 55 to 309 atoms. Extrapolation to the bulk gives a melting temperature of 85.9 K in good agreement with the previous value of 88.9 K using only Mackay icosahedral clusters for the extrapolation [E. Pahl, F. Calvo, L. Koči, and P. Schwerdtfeger, “Accurate melting temperatures for neon and argon from ab initio Monte Carlo simulations,” Angew. Chem., Int. Ed. 47, 8207 (2008)]. Our results for argon demonstrate that for the extrapolation to the bulk one does not have to restrict to magic number cluster sizes in order to obtain good estimates for the bulk melting temperature. However, the extrapolation to the bulk remains a problem, especially for the systematic selection of suitable cluster sizes.

  2. Microsoft PowerPoint - Datskos_2015_UserProjectHighlight_AngewChemie

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    silica (silicon dioxide; SiO2) and hybrid microstructures made of silica and titania (titanium dioxide; TiO2). This approach provides a high degree of control of (1) shape, (2)...

  3. Microsoft PowerPoint - Ma_2015_CNMSStaffScienceHighlight_AngewChemie...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    structural stability of lithium lanthanum zirconium oxide (LLZO) garnet in aqueous media has been unveiled by using the state-of-the-art scanning transmission electron microscopy....

  4. Microsoft PowerPoint - Li_2015_UserProjectHighlight_AngewChemie...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A coordinated synthesis, characterization, modeling, and theory development enable ... DE-AC02- 05CH11231. L.B. acknowledges the financial support of the National Secretariat of ...

  5. Preliminary performance assessment of biotoxin detection for UWS applications using a MicroChemLab device.

    SciTech Connect (OSTI)

    VanderNoot, Victoria A.; Haroldsen, Brent L.; Renzi, Ronald F.; Shokair, Isaac R.

    2010-03-01

    In a multiyear research agreement with Tenix Investments Pty. Ltd., Sandia has been developing field deployable technologies for detection of biotoxins in water supply systems. The unattended water sensor or UWS employs microfluidic chip based gel electrophoresis for monitoring biological analytes in a small integrated sensor platform. This instrument collects, prepares, and analyzes water samples in an automated manner. Sample analysis is done using the {mu}ChemLab{trademark} analysis module. This report uses analysis results of two datasets collected using the UWS to estimate performance of the device. The first dataset is made up of samples containing ricin at varying concentrations and is used for assessing instrument response and detection probability. The second dataset is comprised of analyses of water samples collected at a water utility which are used to assess the false positive probability. The analyses of the two sets are used to estimate the Receiver Operating Characteristic or ROC curves for the device at one set of operational and detection algorithm parameters. For these parameters and based on a statistical estimate, the ricin probability of detection is about 0.9 at a concentration of 5 nM for a false positive probability of 1 x 10{sup -6}.

  6. WRF-Chem Simulations of Aerosols and Anthropogenic Aerosol Radiative Forcing in East Asia

    SciTech Connect (OSTI)

    Gao, Yi; Zhao, Chun; Liu, Xiaohong; Zhang, Meigen; Leung, Lai-Yung R.

    2014-08-01

    This study aims to provide a first comprehensive evaluation of WRF-Chem for modeling aerosols and anthropogenic aerosol radiative forcing (RF) over East Asia. Several numerical experiments were conducted from November 2007 to December 2008. Comparison between model results and observations shows that the model can generally reproduce the observed spatial distributions of aerosol concentration, aerosol optical depth (AOD) and single scattering albedo (SSA) from measurements at different sites, including the relatively higher aerosol concentration and AOD over East China and the relatively lower AOD over Southeast Asia, Korean, and Japan. The model also depicts the seasonal variation and transport of pollutions over East Asia. Particulate matter of 10 um or less in the aerodynamic diameter (PM10), black carbon (BC), sulfate (SO42-), nitrate (NO3-) and ammonium (NH4+) concentrations are higher in spring than other seasons in Japan due to the pollutant transport from polluted area of East Asia. AOD is high over Southwest and Central China in winter, spring and autumn and over North China in summer while is low over South China in summer due to monsoon precipitation. SSA is lowest in winter and highest in summer. The model also captures the dust events at the Zhangye site in the semi-arid region of China. Anthropogenic aerosol RF is estimated to range from -5 to -20 W m-2 over land and -20 to -40 W m-2 over ocean at the top of atmosphere (TOA), 5 to 30 W m-2 in the atmosphere (ATM) and -15 to -40 W m-2 at the bottom (BOT). The warming effect of anthropogenic aerosol in ATM results from BC aerosol while the negative aerosol RF at TOA is caused by scattering aerosols such as SO4 2-, NO3 - and NH4+. Positive BC RF at TOA compensates 40~50% of the TOA cooling associated with anthropogenic aerosol.

  7. Section II INT

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    (11-03-2010) Title: Standard Terms & Conditions for International Commercial Transactions Owner: Procurement Policy & Quality Dept Initial Release Date: 11310 Page 1 of 8...

  8. Section II INT

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    rejected Items without disclosing the corrective actions taken. IN15 LANGUAGE The English language version of this Contract shall be controlling. All deliverables under this...

  9. Section II INT

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    rejected Items without disclosing the corrective actions taken. IN14 LANGUAGE The English language version of this Contract shall be controlling. All deliverables under this...

  10. Section II INT

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    6/14/11 Page 1 of 9 Printed copies of this document are uncontrolled. Retrieve latest version electronically. SANDIA CORPORATION SF 6432-IN (06/14/11) SECTION II GENERAL PROVISIONS FOR INTERNATIONAL COMMERCIAL TRANSACTIONS THE FOLLOWING CLAUSES APPLY TO THIS CONTRACT AS INDICATED UNLESS SPECIFICALLY DELETED, OR EXCEPT TO THE EXTENT THEY ARE SPECIFICALLY SUPPLEMENTED OR AMENDED IN WRITING IN THE SIGNATURE PAGE OR SECTION I OF THIS CONTRACT. IN01 ACCEPTANCE OF TERMS AND CONDITIONS This Contract

  11. Section II INT

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    (11-03-2010) Title: Standard Terms & Conditions for International Commercial Transactions Owner: Procurement Policy & Quality Dept Initial Release Date: 11/3/10 Page 1 of 8 PPQD-TMPLT-008R01 Template Release Date: 12/01/09 Printed copies of this document are uncontrolled. Before using a printed copy to perform work, verify the version against the electronic document to ensure you are using the correct version. SANDIA CORPORATION SF 6432-IN (11-03-2010) SECTION II GENERAL PROVISIONS FOR

  12. Section II INT

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    IN (01-12-2010) Title: Standard Terms & Conditions for International Commercial Transactions Owner: Procurement Policy & Quality Dept Initial Release Date: 01/12/10 Page 1 of 6 PPQD-TMPLT-008R01 Template Release Date: 12/01/09 Printed copies of this document are uncontrolled. Before using a printed copy to perform work, verify the version against the electronic document to ensure you are using the correct version. SANDIA CORPORATION SF 6432-IN (01-12-2010) SECTION II GENERAL PROVISIONS

  13. Twelve-month, 12 km resolution North American WRF-Chem v3.4 air quality simulation: performance evaluation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Tessum, C. W.; Hill, J. D.; Marshall, J. D.

    2014-12-02

    We present results from and evaluate the performance of a 12 month, 12 km horizontal resolution air pollution simulation for the contiguous United States using the WRF-Chem (Weather Research and Forecasting with Chemistry) meteorology and chemical transport model (CTM). We employ the 2005 US National Emissions Inventory, the Regional Atmospheric Chemistry Mechanism (RACM), and the Modal Aerosol Dynamics Model for Europe (MADE) with a Volatility Basis Set (VBS) secondary aerosol module. Overall, model performance is comparable to contemporary models used for regulatory and health-effects analysis, with an annual average daytime ozone (O3) mean fractional bias (MFB) of 12% and anmore » annual average fine particulate matter (PM2.5) MFB of −1%. WRF-Chem, as configured here, tends to overpredict total PM2.5 at some high concentration locations, and generally overpredicts average 24 h O3 concentrations, with better performance at predicting average daytime and daily peak O3 concentrations. Predictive performance for PM2.5 subspecies is mixed: the model overpredicts particulate sulfate (MFB = 65%), underpredicts particulate nitrate (MFB = −110%) and organic carbon (MFB = −65%), and relatively accurately predicts particulate ammonium (MFB = 3%) and elemental carbon (MFB = 3%), so that the accuracy in total PM2.5 predictions is to some extent a function of offsetting over- and underpredictions of PM2.5 subspecies. Model predictive performance for PM2.5 and its subspecies is in general worse in winter and in the western US than in other seasons and regions, suggesting spatial and temporal opportunities for future WRF-Chem model development and evaluation.« less

  14. Twelve-month, 12 km resolution North American WRF-Chem v3.4 air quality simulation: performance evaluation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Tessum, C. W.; Hill, J. D.; Marshall, J. D.

    2015-04-07

    We present results from and evaluate the performance of a 12-month, 12 km horizontal resolution year 2005 air pollution simulation for the contiguous United States using the WRF-Chem (Weather Research and Forecasting with Chemistry) meteorology and chemical transport model (CTM). We employ the 2005 US National Emissions Inventory, the Regional Atmospheric Chemistry Mechanism (RACM), and the Modal Aerosol Dynamics Model for Europe (MADE) with a volatility basis set (VBS) secondary aerosol module. Overall, model performance is comparable to contemporary modeling efforts used for regulatory and health-effects analysis, with an annual average daytime ozone (O3) mean fractional bias (MFB) of 12%more » and an annual average fine particulate matter (PM2.5) MFB of −1%. WRF-Chem, as configured here, tends to overpredict total PM2.5 at some high concentration locations and generally overpredicts average 24 h O3 concentrations. Performance is better at predicting daytime-average and daily peak O3 concentrations, which are more relevant for regulatory and health effects analyses relative to annual average values. Predictive performance for PM2.5 subspecies is mixed: the model overpredicts particulate sulfate (MFB = 36%), underpredicts particulate nitrate (MFB = −110%) and organic carbon (MFB = −29%), and relatively accurately predicts particulate ammonium (MFB = 3%) and elemental carbon (MFB = 3%), so that the accuracy in total PM2.5 predictions is to some extent a function of offsetting over- and underpredictions of PM2.5 subspecies. Model predictive performance for PM2.5 and its subspecies is in general worse in winter and in the western US than in other seasons and regions, suggesting spatial and temporal opportunities for future WRF-Chem model development and evaluation.« less

  15. Implementation and evaluation of online gas-phase chemistry within a regional climate model (RegCM-CHEM4)

    SciTech Connect (OSTI)

    Shalaby, A. K.; Zakey, A. S.; Tawfik, A. B.; Solmon, F.; Giorgi, Filippo; Stordal, F.; Sillman, S.; Zaveri, Rahul A.; Steiner, A. L.

    2012-05-22

    The RegCM-CHEM4 is a new online climate-chemistry model based on the International Centre for Theoretical Physics (ICTP) regional climate model (RegCM4). Tropospheric gas-phase chemistry is integrated into the climate model using the condensed version of the Carbon Bond Mechanism (CBM-Z; Zaveri and Peters, 1999) with a fast solver based on radical balances. We evaluate the model over Continental Europe for two different time scales: (1) an event-based analysis of the ozone episode associated with the heat wave of August 2003 and (2) a climatological analysis of a sixyear simulation (2000-2005). For the episode analysis, model simulations show good agreement with European Monitoring and Evaluation Program (EMEP) observations of hourly ozone over different regions in Europe and capture ozone concentrations during and after the August 2003 heat wave event. For long-term climate simulations, the model captures the seasonal cycle of ozone concentrations with some over prediction of ozone concentrations in non-heat wave summers. Overall, the ozone and ozone precursor evaluation shows the feasibility of using RegCM-CHEM4 for decadal-length simulations of chemistry-climate interactions.

  16. Comment on 'The diatomic dication CuZn{sup 2+} in the gas phase' [J. Chem. Phys. 135, 034306 (2011)

    SciTech Connect (OSTI)

    Fiser, Jiri; Diez, Reinaldo Pis; Franzreb, Klaus; Alonso, Julio A.

    2013-02-21

    In this Comment, the density functional theory (DFT) calculations carried out by Diez et al. [J. Chem. Phys. 135, 034306 (2011)] are revised within the framework of the coupled-cluster single double triple method. These more sophisticated calculations allow us to show that the {sup 2}{Sigma}{sup +} electronic ground state of CuZn{sup 2+}, characterized as the metastable ground state by DFT calculations, is a repulsive state instead. The {sup 2}{Delta} and {sup 2}{Pi} metastable states of CuZn{sup 2+}, on the other hand, should be responsible for the formation mechanism of the dication through the near-resonant electron transfer CuZn{sup +}+ Ar{sup +}{yields} CuZn{sup 2+}+ Ar reaction.

  17. Assessing the CAM5 Physics Suite in the WRF-Chem Model: Implementation, Resolution Sensitivity, and a First Evaluation for a Regional Case Study

    SciTech Connect (OSTI)

    Ma, Po-Lun; Rasch, Philip J.; Fast, Jerome D.; Easter, Richard C.; Gustafson, William I.; Liu, Xiaohong; Ghan, Steven J.; Singh, Balwinder

    2014-05-06

    A suite of physical parameterizations (deep and shallow convection, turbulent boundary layer, aerosols, cloud microphysics, and cloud fraction) from the global climate model Community Atmosphere Model version 5.1 (CAM5) has been implemented in the regional model Weather Research and Forecasting with chemistry (WRF-Chem). A downscaling modeling framework with consistent physics has also been established in which both global and regional simulations use the same emissions and surface fluxes. The WRF-Chem model with the CAM5 physics suite is run at multiple horizontal resolutions over a domain encompassing the northern Pacific Ocean, northeast Asia, and northwest North America for April 2008 when the ARCTAS, ARCPAC, and ISDAC field campaigns took place. These simulations are evaluated against field campaign measurements, satellite retrievals, and ground-based observations, and are compared with simulations that use a set of common WRF-Chem Parameterizations. This manuscript describes the implementation of the CAM5 physics suite in WRF-Chem provides an overview of the modeling framework and an initial evaluation of the simulated meteorology, clouds, and aerosols, and quantifies the resolution dependence of the cloud and aerosol parameterizations. We demonstrate that some of the CAM5 biases, such as high estimates of cloud susceptibility to aerosols and the underestimation of aerosol concentrations in the Arctic, can be reduced simply by increasing horizontal resolution. We also show that the CAM5 physics suite performs similarly to a set of parameterizations commonly used in WRF-Chem, but produces higher ice and liquid water condensate amounts and near-surface black carbon concentration. Further evaluations that use other mesoscale model parameterizations and perform other case studies are needed to infer whether one parameterization consistently produces results more consistent with observations.

  18. Assessing regional scale predictions of aerosols, marine stratocumulus, and their interactions during VOCALS-REx using WRF-Chem

    SciTech Connect (OSTI)

    Yang Q.; Lee Y.; Gustafson Jr., W. I.; Fast, J. D.; Wang, H.; Easter, R. C.; Morrison, H.; Chapman, E. G.; Spak, S. N.; Mena-Carrasco, M. A.

    2011-12-02

    This study assesses the ability of the recent chemistry version (v3.3) of the Weather Research and Forecasting (WRF-Chem) model to simulate boundary layer structure, aerosols, stratocumulus clouds, and energy fluxes over the Southeast Pacific Ocean. Measurements from the VAMOS Ocean-Cloud-Atmosphere-Land Study Regional Experiment (VOCALS-REx) and satellite retrievals (i.e., products from the MODerate resolution Imaging Spectroradiometer (MODIS), Clouds and Earth's Radiant Energy System (CERES), and GOES-10) are used for this assessment. The Morrison double-moment microphysics scheme is newly coupled with interactive aerosols in the model. The 31-day (15 October-16 November 2008) WRF-Chem simulation with aerosol-cloud interactions (AERO hereafter) is also compared to a simulation (MET hereafter) with fixed cloud droplet number concentrations in the microphysics scheme and simplified cloud and aerosol treatments in the radiation scheme. The well-simulated aerosol quantities (aerosol number, mass composition and optical properties), and the inclusion of full aerosol-cloud couplings lead to significant improvements in many features of the simulated stratocumulus clouds: cloud optical properties and microphysical properties such as cloud top effective radius, cloud water path, and cloud optical thickness. In addition to accounting for the aerosol direct and semi-direct effects, these improvements feed back to the simulation of boundary-layer characteristics and energy budgets. Particularly, inclusion of interactive aerosols in AERO strengthens the temperature and humidity gradients within the capping inversion layer and lowers the marine boundary layer (MBL) depth by 130 m from that of the MET simulation. These differences are associated with weaker entrainment and stronger mean subsidence at the top of the MBL in AERO. Mean top-of-atmosphere outgoing shortwave fluxes, surface latent heat, and surface downwelling longwave fluxes are in better agreement with observations in AERO, compared to the MET simulation. Nevertheless, biases in some of the simulated meteorological quantities (e.g., MBL temperature and humidity) and aerosol quantities (e.g., underestimations of accumulation mode aerosol number) might affect simulated stratocumulus and energy fluxes over the Southeastern Pacific, and require further investigation. The well-simulated timing and outflow patterns of polluted and clean episodes demonstrate the model's ability to capture daily/synoptic scale variations of aerosol and cloud properties, and suggest that the model is suitable for studying atmospheric processes associated with pollution outflow over the ocean. The overall performance of the regional model in simulating mesoscale clouds and boundary layer properties is encouraging and suggests that reproducing gradients of aerosol and cloud droplet concentrations and coupling cloud-aerosol-radiation processes are important when simulating marine stratocumulus over the Southeast Pacific.

  19. A new WRF-Chem treatment for studying regional-scale impacts of cloud processes on aerosol and trace gases in parameterized cumuli

    SciTech Connect (OSTI)

    Berg, L. K.; Shrivastava, M.; Easter, R. C.; Fast, J. D.; Chapman, E. G.; Liu, Y.; Ferrare, R. A.

    2015-02-24

    A new treatment of cloud effects on aerosol and trace gases within parameterized shallow and deep convection, and aerosol effects on cloud droplet number, has been implemented in the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) version 3.2.1 that can be used to better understand the aerosol life cycle over regional to synoptic scales. The modifications to the model include treatment of the cloud droplet number mixing ratio; key cloud microphysical and macrophysical parameters (including the updraft fractional area, updraft and downdraft mass fluxes, and entrainment) averaged over the population of shallow clouds, or a single deep convective cloud; and vertical transport, activation/resuspension, aqueous chemistry, and wet removal of aerosol and trace gases in warm clouds. These changes have been implemented in both the WRF-Chem chemistry packages as well as the Kain–Fritsch (KF) cumulus parameterization that has been modified to better represent shallow convective clouds. Testing of the modified WRF-Chem has been completed using observations from the Cumulus Humilis Aerosol Processing Study (CHAPS). The simulation results are used to investigate the impact of cloud–aerosol interactions on regional-scale transport of black carbon (BC), organic aerosol (OA), and sulfate aerosol. Based on the simulations presented here, changes in the column-integrated BC can be as large as –50% when cloud–aerosol interactions are considered (due largely to wet removal), or as large as +40% for sulfate under non-precipitating conditions due to sulfate production in the parameterized clouds. The modifications to WRF-Chem are found to account for changes in the cloud droplet number concentration (CDNC) and changes in the chemical composition of cloud droplet residuals in a way that is consistent with observations collected during CHAPS. Efforts are currently underway to port the changes described here to the latest version of WRF-Chem, and it is anticipated that they will be included in a future public release of WRF-Chem.

  20. A new WRF-Chem treatment for studying regional-scale impacts of cloud processes on aerosol and trace gases in parameterized cumuli

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Berg, L. K.; Shrivastava, M.; Easter, R. C.; Fast, J. D.; Chapman, E. G.; Liu, Y.; Ferrare, R. A.

    2015-02-24

    A new treatment of cloud effects on aerosol and trace gases within parameterized shallow and deep convection, and aerosol effects on cloud droplet number, has been implemented in the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) version 3.2.1 that can be used to better understand the aerosol life cycle over regional to synoptic scales. The modifications to the model include treatment of the cloud droplet number mixing ratio; key cloud microphysical and macrophysical parameters (including the updraft fractional area, updraft and downdraft mass fluxes, and entrainment) averaged over the population of shallow clouds, or a single deep convectivemore » cloud; and vertical transport, activation/resuspension, aqueous chemistry, and wet removal of aerosol and trace gases in warm clouds. These changes have been implemented in both the WRF-Chem chemistry packages as well as the Kain–Fritsch (KF) cumulus parameterization that has been modified to better represent shallow convective clouds. Testing of the modified WRF-Chem has been completed using observations from the Cumulus Humilis Aerosol Processing Study (CHAPS). The simulation results are used to investigate the impact of cloud–aerosol interactions on regional-scale transport of black carbon (BC), organic aerosol (OA), and sulfate aerosol. Based on the simulations presented here, changes in the column-integrated BC can be as large as –50% when cloud–aerosol interactions are considered (due largely to wet removal), or as large as +40% for sulfate under non-precipitating conditions due to sulfate production in the parameterized clouds. The modifications to WRF-Chem are found to account for changes in the cloud droplet number concentration (CDNC) and changes in the chemical composition of cloud droplet residuals in a way that is consistent with observations collected during CHAPS. Efforts are currently underway to port the changes described here to the latest version of WRF-Chem, and it is anticipated that they will be included in a future public release of WRF-Chem.« less

  1. ChemMat2014

    Office of Scientific and Technical Information (OSTI)

    ... substrate provides a common mechanism to enhance both stability and dynamics at once: infusion into underlying pores allows greater bulk dynamics by locally 14 increasing the ...

  2. IntDataRevs.doc

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    Interim Data Changes in the Short-term Energy Outlook Data System Related to Electric Power Sector and Natural Gas Demand Data Revisions Beginning with the December 2002 issue of ...

  3. Comment on “Rethinking first-principles electron transport theories with projection operators: The problems caused by partitioning the basis set” [J. Chem. Phys. 139, 114104 (2013)

    SciTech Connect (OSTI)

    Brandbyge, Mads

    2014-05-07

    In a recent paper Reuter and Harrison [J. Chem. Phys. 139, 114104 (2013)] question the widely used mean-field electron transport theories, which employ nonorthogonal localized basis sets. They claim these can violate an “implicit decoupling assumption,” leading to wrong results for the current, different from what would be obtained by using an orthogonal basis, and dividing surfaces defined in real-space. We argue that this assumption is not required to be fulfilled to get exact results. We show how the current/transmission calculated by the standard Greens function method is independent of whether or not the chosen basis set is nonorthogonal, and that the current for a given basis set is consistent with divisions in real space. The ambiguity known from charge population analysis for nonorthogonal bases does not carry over to calculations of charge flux.

  4. BioChem Cover story

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    present on earth and virtually all of the carbohydrate which lies at the base of all food chains. Photosystem II is a protein complex that captures light and begins the first...

  5. WRF-Chem model predictions of the regional impacts of N2O5 heterogeneous processes on night-time chemistry over north-western Europe

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lowe, Douglas; Archer-Nicholls, Scott; Morgan, Will; Allan, James D.; Utembe, Steve; Ouyang, Bin; Aruffo, Eleonora; Le Breton, Michael; Zaveri, Rahul A.; di Carlo, Piero; et al

    2015-02-09

    Chemical modelling studies have been conducted over north-western Europe in summer conditions, showing that night-time dinitrogen pentoxide (N2O5) heterogeneous reactive uptake is important regionally in modulating particulate nitrate and has a~modest influence on oxidative chemistry. Results from Weather Research and Forecasting model with Chemistry (WRF-Chem) model simulations, run with a detailed volatile organic compound (VOC) gas-phase chemistry scheme and the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) sectional aerosol scheme, were compared with a series of airborne gas and particulate measurements made over the UK in July 2010. Modelled mixing ratios of key gas-phase species were reasonably accurate (correlationsmore » with measurements of 0.7–0.9 for NO2 and O3). However modelled loadings of particulate species were less accurate (correlation with measurements for particulate sulfate and ammonium were between 0.0 and 0.6). Sulfate mass loadings were particularly low (modelled means of 0.5–0.7 μg kg−1air, compared with measurements of 1.0–1.5 μg kg−1air). Two flights from the campaign were used as test cases – one with low relative humidity (RH) (60–70%), the other with high RH (80–90%). N2O5 heterogeneous chemistry was found to not be important in the low-RH test case; but in the high-RH test case it had a strong effect and significantly improved the agreement between modelled and measured NO3 and N2O5. When the model failed to capture atmospheric RH correctly, the modelled NO3 and N2O5 mixing ratios for these flights differed significantly from the measurements. This demonstrates that, for regional modelling which involves heterogeneous processes, it is essential to capture the ambient temperature and water vapour profiles. The night-time NO3 oxidation of VOCs across the whole region was found to be 100–300 times slower than the daytime OH oxidation of these compounds. The difference in contribution was less for alkenes (× 80) and comparable for dimethylsulfide (DMS). However the suppression of NO3 mixing ratios across the domain by N2O5 heterogeneous chemistry has only a very slight, negative, influence on this oxidative capacity. The influence on regional particulate nitrate mass loadings is stronger. Night-time N2O5 heterogeneous chemistry maintains the production of particulate nitrate within polluted regions: when this process is taken into consideration, the daytime peak (for the 95th percentile) of PM10 nitrate mass loadings remains around 5.6 μg kg−1air, but the night-time minimum increases from 3.5 to 4.6 μg kg−1air. The sustaining of higher particulate mass loadings through the night by this process improves model skill at matching measured aerosol nitrate diurnal cycles and will negatively impact on regional air quality, requiring this process to be included in regional models.« less

  6. InteliSolar | Open Energy Information

    Open Energy Info (EERE)

    Santa Clara, California Zip: 95054 Region: Bay Area Sector: Efficiency, Renewable Energy, Services, Solar, Wind energy Product: Renewable Energy Systems using solar or wind...

  7. Laser parametric instability experiments of a 3ω, 15 kJ, 6-ns laser pulse in gas-filled hohlraums at the Ligne d'Intégration Laser facility

    SciTech Connect (OSTI)

    Rousseaux, C.; Huser, G.; Loiseau, P.; Casanova, M.; Alozy, E.; Villette, B.; Wrobel, R.; Henry, O.; Raffestin, D.

    2015-02-15

    Experimental investigation of stimulated Raman (SRS) and Brillouin (SBS) scattering have been obtained at the Ligne-d'Intégration-Laser facility (LIL, CEA-Cesta, France). The parametric instabilities (LPI) are driven by firing four laser beamlets (one quad) into millimeter size, gas-filled hohlraum targets. A quad delivers energy on target of 15 kJ at 3ω in a 6-ns shaped laser pulse. The quad is focused by means of 3ω gratings and is optically smoothed with a kinoform phase plate and with smoothing by spectral dispersion-like 2 GHz and/or 14 GHz laser bandwidth. Open- and closed-geometry hohlraums have been used, all being filled with 1-atm, neo-pentane (C{sub 5}H{sub 12}) gas. For SRS and SBS studies, the light backscattered into the focusing optics is analyzed with spectral and time resolutions. Near-backscattered light at 3ω and transmitted light at 3ω are also monitored in the open geometry case. Depending on the target geometry (plasma length and hydrodynamic evolution of the plasma), it is shown that, at maximum laser intensity about 9 × 10{sup 14} W/cm{sup 2}, Raman reflectivity noticeably increases up to 30% in 4-mm long plasmas while SBS stays below 10%. Consequently, laser transmission through long plasmas drops to about 10% of incident energy. Adding 14 GHz bandwidth to the laser always reduces LPI reflectivities, although this reduction is not dramatic.

  8. Electro Chem Technic | Open Energy Information

    Open Energy Info (EERE)

    Place: Oxford, United Kingdom Zip: OX3 7LA Product: The company makes and sells a novel small fuel cell. They sell as well a wide range of educational material about fuel...

  9. LG Chem Ltd | Open Energy Information

    Open Energy Info (EERE)

    of petrochemical goods, plastics, flooring and automobile parts. They manufacture Lithium ion batteries. Coordinates: 37.557121, 126.977379 Show Map Loading map......

  10. Atmos. Chem. Phys., 15, 3831-3850, ...

    Office of Scientific and Technical Information (OSTI)

    ... This discrepancy, especially at high altitudes, may be caused, in part, by insufficient rainout (e.g., Wang etal., 2013). To improve our understanding about air pollution in the ...

  11. ARM - Campaign Instrument - wrf-chem

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Derived Quantities and Models, Surface Meteorology Campaigns Carbonaceous Aerosol and Radiation Effects Study (CARES) - Surface Meteorological Sounding Download Data Off...

  12. WRF-Chem model predictions of the regional impacts of N2O5 heterogeneous processes on night-time chemistry over north-western Europe

    SciTech Connect (OSTI)

    Lowe, Douglas; Archer-Nicholls, Scott; Morgan, Will; Allan, James D.; Utembe, Steve; Ouyang, Bin; Aruffo, Eleonora; Le Breton, Michael; Zaveri, Rahul A.; di Carlo, Piero; Percival, Carl; Coe, H.; Jones, Roderic L.; McFiggans, Gordon

    2015-02-09

    Chemical modelling studies have been conducted over north-western Europe in summer conditions, showing that night-time dinitrogen pentoxide (N2O5) heterogeneous reactive uptake is important regionally in modulating particulate nitrate and has a~modest influence on oxidative chemistry. Results from Weather Research and Forecasting model with Chemistry (WRF-Chem) model simulations, run with a detailed volatile organic compound (VOC) gas-phase chemistry scheme and the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) sectional aerosol scheme, were compared with a series of airborne gas and particulate measurements made over the UK in July 2010. Modelled mixing ratios of key gas-phase species were reasonably accurate (correlations with measurements of 0.70.9 for NO2 and O3). However modelled loadings of particulate species were less accurate (correlation with measurements for particulate sulfate and ammonium were between 0.0 and 0.6). Sulfate mass loadings were particularly low (modelled means of 0.50.7 ?g kg?1air, compared with measurements of 1.01.5 ?g kg?1air). Two flights from the campaign were used as test cases one with low relative humidity (RH) (6070%), the other with high RH (8090%). N2O5 heterogeneous chemistry was found to not be important in the low-RH test case; but in the high-RH test case it had a strong effect and significantly improved the agreement between modelled and measured NO3 and N2O5. When the model failed to capture atmospheric RH correctly, the modelled NO3 and N2O5 mixing ratios for these flights differed significantly from the measurements. This demonstrates that, for regional modelling which involves heterogeneous processes, it is essential to capture the ambient temperature and water vapour profiles.

    The night-time NO3 oxidation of VOCs across the whole region was found to be 100300 times slower than the daytime OH oxidation of these compounds. The difference in contribution was less for alkenes ( 80) and comparable for dimethylsulfide (DMS). However the suppression of NO3 mixing ratios across the domain by N2O5 heterogeneous chemistry has only a very slight, negative, influence on this oxidative capacity. The influence on regional particulate nitrate mass loadings is stronger. Night-time N2O5 heterogeneous chemistry maintains the production of particulate nitrate within polluted regions: when this process is taken into consideration, the daytime peak (for the 95th percentile) of PM10 nitrate mass loadings remains around 5.6 ?g kg?1air, but the night-time minimum increases from 3.5 to 4.6 ?g kg?1air. The sustaining of higher particulate mass loadings through the night by this process improves model skill at matching measured aerosol nitrate diurnal cycles and will negatively impact on regional air quality, requiring this process to be included in regional models.

  13. Microsoft PowerPoint - Schwartz_ChemSusChem-2013.pptx

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    for oxidative dehydrogenation reaction", V. Schwartz, a W. Fu, a Y. Tsai, a H. M. Meyer III, b A. J. Rondinone, a J. Chen, a Z. Wu, a,c S. H. Overbury, a,c and C. Liang a a...

  14. Enhanced response of an oligonucleotide-based biosensor to environmental mercury

    SciTech Connect (OSTI)

    Edenborn, H.M.

    2006-10-01

    One environmental pollutant of particular relevance to the coal-generated power industry is mercury. Power plants in the U.S., led by Texas, Ohio, Pennsylvania, Indiana, and Alabama, collectively emitted over 90,000 pounds of mercury into the air in 2003. Calls for increased mercury monitoring activities have come from many groups concerned with environmental contamination and mercury bioconcentration in fish. Additionally, the benefits of improvements in the reduction of mercury emissions from existing power plants cannot be seriously evaluated without extensive monitoring of the environment. Low in situ mercury concentrations and the expense of traditional laboratory analyses currently limit such routine and effective monitoring. Microbial biosensors sensitive to mercury have been developed that quantitatively produce light in response to the amount of mercury (II) entering the cells. However, these sensors are typically difficult to prepare, can have long lag times between initial exposure and subsequent light emission, and are difficult to use in the field. Whole cell biosensors using living bacteria also require attention to the growth requirements of the cells, as well as complications brought on by the presence of other toxic compounds in addition to mercury. A molecular beacon sensor for mercury (II) reported by Ono and Togashi (Angew. Chem. Int. Ed. 2004, 43:4300-4302.) was modified to enhance its sensitivity and fluorescence response. The basic detection method involves the selective binding of mercury ions to thymine-thymine (T-T) base pairs in DNA duplexes. An oligonucleotide sequence in the sensor changes its conformation upon binding with mercury ions, and causes a fluorophore at one end of the oligonucleotide sequence to come in proximity with a quencher molecule attached to the other end. Enhanced fluorescence resonance energy transfer (FRET) results in a decrease in the intensity of the fluorescence spectrum. The use of fluorescein as a harvester fluorophore and alternative emitter fluorophores dramatically increased the sensitivity of the sensor. The fluorescence spectrum generated by this sensor is analyzed using a field spectrofluorometer, and the analytical approach may be useful in environmental mercury monitoring activities.

  15. EIS-0283-S2-IntActDet-2011.pdf

    Energy Savers [EERE]

  16. Microsoft Word - Int_blends_Rpt1_Updated.doc

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    .........2-2 2.2.2 Statistical Analysis......Technology RVP Reid vapor pressure SAS Statistical Analysis System (software package) SG ...

  17. Mars Rover's ChemCam Instrument gets sharper vision

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... After additional tests in France and on a rover testbed at Jet Propulsion Laboratory, NASA gave the green light last week to install the new software on Mars. "We think we will ...

  18. Microsoft Word - ThermoChemTechMemo2012.docx

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    technologies, costs, and logistics that are achievable today for supplying biomass feedstocks to pioneer biorefineries. The general architecture of these designs locates the...

  19. Chemical Pre‐Procurement (ChemPro) Application

    Office of Energy Efficiency and Renewable Energy (EERE)

    Presenter: Julie Cordero, PE, CFEI Fire Protection Engineer, Sandia National Laboratory ‐ Albuquerque

  20. 05679_ChemFlood | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Bridging the Gap between Chemical Flooding and Independent Oil Producers Last Reviewed 12152012 DE-NT0005679 Goal The goal of this project is to design efficient chemical ...

  1. ChemCam is having a blast on Mars

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    planet, the rover will move to various locations within the Gale Crater to test different types of rock. One reason the location was selected was the 5 km (3 mile) mound of...

  2. Anjan Etho Chem Pvt Ltd | Open Energy Information

    Open Energy Info (EERE)

    that has developed a scalable, low cost sustainable continuous process method for making fuel grade ethanol. The company has also developed technology to produce biodiesel from...

  3. Microsoft PowerPoint - Unocic_ChemComm-2015

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    EELS results from liquid cell microscopy demonstrate the ability to obtain quantitative chemical information from battery electrode materials during in situ ec-STEM experiments....

  4. Supercritical Fluid Purification of Combi-Chem Libraries

    SciTech Connect (OSTI)

    2002-01-01

    Innovative method of purifying combinatorial chemistry compounds reduces energy use and chemical waste of processed chemicals.

  5. Chemical Consortium Holdings Inc ChemCon | Open Energy Information

    Open Energy Info (EERE)

    Hydro, Hydrogen Product: Develops and operates projects in the bioethanol, biodiesel, methanol, hydrogen and liquid natural gas industries. References: Chemical Consortium Holdings...

  6. Microsoft PowerPoint - Zhou_2015_StaffScienceHighlight_ACSApplMaterInt...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Theoreticalcomputational studies discover a novel three-atom-thick single-layer sheet of ZnSe that is stabilized by its unusual square lattice configuration and offers improved...

  7. The µChemLabTM: Bio Detector - Energy Innovation Portal

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    water quality, medical diagnostics, biotechnology, and industrial process ... quality testing, medical diagnostics, biotechnology, and industrial process control Full ...

  8. ChemCam contributions to the Lunar and Planetary Science Conference...

    Office of Scientific and Technical Information (OSTI)

    ... Country of Publication: United States Language: English Subject: Earth Sciences; Engineering(42); Geosciences(58); Inorganic, Organic, Physical, & Analytical Chemistry(37) Word ...

  9. Microsoft PowerPoint - Sacci_ChemComm-2014.ppt [Compatibility...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Investigating Solid Electrolyte Formation and Growth at the Nano-scale" The SEI is a nm-scaled passivating layer that forms locally at the anodeelectrolyte interface as a result...

  10. ChemCam contributions to the Lunar and Planetary Science Conference...

    Office of Scientific and Technical Information (OSTI)

    DUston, C. MNHN; Langevin, Y. Univ. Paris-Sud; Mauchien, P. CEA; McKay, C. NASA Ames; Newsom, H. UNM; Vaniman, D. PSI; Baroukh, J. CNES; Barraclough, Bruce Los...

  11. ChemCam on Mars Clegg, Samuel M. [Los Alamos National Laboratory...

    Office of Scientific and Technical Information (OSTI)

    & Molecular Physics(74) Abstract Not Provided Los Alamos National Laboratory (LANL) NASA United States 2012-10-17 English Technical Report Medium: ED OSTI ID: 1053549, Legacy...

  12. Microsoft PowerPoint - Ramanathan_JMaterChemC-2013.pptx

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    pattern across the full length of a 12" wafer. We expect that this simple, straightforward strategy of wrinkle formation in thin films comprised of a reactive polymer...

  13. CHEM.PLANT.ADMIN.REC.302.1.08.T.PDF

    Office of Legacy Management (LM)

    of Decision for Remedial Action at the Chemical Plant Area of the Weldon Spring Site ... of Decision for Remedial Action at the Chemical Plant Area of the Weldon Spring Site ...

  14. PNNL-Weather Research and Forecasting (WRF)-Chem Modeling in...

    Open Energy Info (EERE)

    San Francisco, CA, A41F-01. Fast JD, JC Doran, JC Barnard, S Springs ton, L Klein man, L Emmons, C Wiedinmyer. 2007. "Predictions of aerosols downwind of Mexico City using a...

  15. CHEM.PLANT.ADMIN.REC.302.1.08.T.PDF

    Office of Legacy Management (LM)

  16. ChemCam contributions to the Lunar and Planetary Science Conference...

    Office of Scientific and Technical Information (OSTI)

    21 ; Guillemot, P. 26 ; Johnstone, Stephen E. 3 ; Lacour, J. L. 22 ; Lafaille, ... 32 ; Renno, N. 36 ; Goetz, W. 37 ; King, P. L. 38 ; Hardgrove, C. 39 ; de ...

  17. The ChemCam instrument for the 2011 Mars science laboratory mission...

    Office of Scientific and Technical Information (OSTI)

    Report Number(s): LA-UR-11-03181; LA-UR-11-3181 DOE Contract Number: AC52-06NA25396 Resource Type: Conference Resource Relation: Conference: 8th International Planetary Probe ...

  18. ZeaChem Pilot Project: High-Yield Hybrid Cellulosic Ethanol Process Using High-Impact Feedstock for Commercialization

    Broader source: Energy.gov [DOE]

    This pilot-scale integrated biorefinery will produce 250,000 gallons per year of cellulosic ethanol when running at full operational status.

  19. 2014 | Center for Gas SeparationsRelevant to Clean Energy Technologies...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    of the shp-a network in MOFs. ... Continue reading ... ... Jihye Park, Dawei Feng, Shuai Yuan and Hong-Cai Zhou, Angew. ... Pere Mir, Bess Vlaisavljevich, Allison L. Dzubak, Shuxian ...

  20. Auto-ignition during instationary jet evolution of dimethyl ether (DME) in a high-pressure atmosphere

    SciTech Connect (OSTI)

    Fast, G.; Kuhn, D.; Class, A.G.; Maas, U.

    2009-01-15

    The auto-ignition process during transient injection of gaseous dimethyl ether (DME) in a constant high-pressure atmosphere is studied experimentally by laser-optical methods and compared with numerical calculations. With different non-intrusive measurement techniques jet properties and auto-ignition are investigated at high temporal and spatial resolution. The open jet penetrates a constant pressure oxidative atmosphere of up to 4 MPa. During the transient evolution, the fuel jet entrains air at up to 720 K. The subsequent auto-ignition of the ignitable part of the jet occurs simultaneously over a wide spatial extension. The ignition delay times are not affected by variation of the nozzle exit velocity. Thus, the low-temperature oxidation is slow compared with the shorter time scales of mixing, so that chemical kinetics is dominating the process. The typical two-stage ignition is resolved optically with high-speed shadowgraphy at a sampling rate of 10 kHz. The 2D fields of jet velocity and transient mixture fraction are measured phase-coupled with Particle Image Velocimetry (PIV) and Tracer Laser Induced Fluorescence (LIF) during the time-frame of ignition. The instationary Probability Density Functions (PDF) of mixture fraction are described very well by Beta functions within the complete area of the open jet. Additional 1D flamelet simulations of the auto-ignition process are computed with a detailed reaction mechanism for DME [S. Fischer, F. Dryer, H. Curran, Int. J. Chem. Kinet. 32 (12) (2000) 713-740; H. Curran, S. Fischer, F. Dryer, Int. J. Chem. Kinet. 32 (12) (2000) 741-759]. Calculated ignition delay times are in very good agreement with the measured mean ignition delay times of 3 ms. Supplemental flamelet simulations address the influence of DME and air temperature, pressure and strain. Underneath a critical strain rate the air temperature is identified to be the most sensitive factor on ignition delay time. (author)

  1. Slide 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Wtd. Avg. Int. 7.4% Bureau of Reclamation Appropriations 510 Wtd. Avg. Int. 7.1% Power Marketing Transmission Bonds Issued to Treasury 1,854 Wtd. Avg. Int. 7.3% Bureau of...

  2. Slide 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    System Supply 6,560 Wtd. Avg. Int. 6.2% Bonds Issued to Treasury 796 Wtd. Avg. Int. 6.8% Bureau of Reclamation Appropriations 565 Wtd. Avg. Int. 7.1% Power Marketing...

  3. Important LANL Directions and Contacts

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Employee Assistance Program: 667-7339, http:int.lanl.govemployeeshealth-fitnessemployee-assistanceindex.shtml Voluntary Protection Program: http:int.lanl.gov...

  4. Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme

    SciTech Connect (OSTI)

    Theophilou, Iris; Tassi, M.; Thanos, S.

    2014-04-28

    Photoinduced charge-transfer processes play a key role for novel photovoltaic phenomena and devices. Thus, the development of ab initio methods that allow for an accurate and computationally inexpensive treatment of charge-transfer excitations is a topic that nowadays attracts a lot of scientific attention. In this paper we extend an approach recently introduced for the description of single and double excitations [M. Tassi, I. Theophilou, and S. Thanos, Int. J. Quantum Chem. 113, 690 (2013); M. Tassi, I. Theophilou, and S. Thanos, J. Chem. Phys. 138, 124107 (2013)] to allow for the description of intermolecular charge-transfer excitations. We describe an excitation where an electron is transferred from a donor system to an acceptor one, keeping the excited state orthogonal to the ground state and avoiding variational collapse. These conditions are achieved by decomposing the space spanned by the Hartree-Fock (HF) ground state orbitals into four subspaces: The subspace spanned by the occupied orbitals that are localized in the region of the donor molecule, the corresponding for the acceptor ones and two more subspaces containing the virtual orbitals that are localized in the neighborhood of the donor and the acceptor, respectively. Next, we create a Slater determinant with a hole in the subspace of occupied orbitals of the donor and a particle in the virtual subspace of the acceptor. Subsequently we optimize both the hole and the particle by minimizing the HF energy functional in the corresponding subspaces. Finally, we test our approach by calculating the lowest charge-transfer excitation energies for a set of tetracyanoethylene-hydrocarbon complexes that have been used earlier as a test set for such kind of excitations.

  5. Microsoft PowerPoint - 2012 Liabilities.ppt

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Energy Northwest 2 1,169 Wtd. Avg. Int 4.9% BPA Appropriations 257 Wtd. Avg. Int 7.2% Capital Leases 120 Wtd. Avg. Int 4.7% Bonds Issued to Treasury 1,951 Wtd. Avg. Int 3.8%...

  6. OSTI, US Dept of Energy, Office of Scientific and Technical Information |

    Office of Scientific and Technical Information (OSTI)

    Speeding access to science information from DOE and Beyond ChemCam Topic

  7. S. 466: A bill to amend the Internal Revenue Code of 1986 to provide for a renewable energy production credit, and for other purposes, introduced int he Senate of the United States, One Hundred Second Congress, First Session, February 21, 1991

    SciTech Connect (OSTI)

    Not Available

    1991-01-01

    The tax credit allowed is equal to the applicable amount multiplied by the kilowatt hours of electricity produced by qualified technologies. The applicable amount is 2 cents for the taxable years 1992-1996; 1.6 cents for 1997; 1.2 cents for 1998; 0.9 cents for 1999; 0.6 cents for 2000; and 0.3 cents for 2001. Qualified technologies include solar thermal, photovoltaic, wind, geothermal (other then dry steam), and biomass (excludes aquatic plants, municipal wastes, industrial wastes, agricultural wastes).

  8. Learn Gapminder | Open Energy Information

    Open Energy Info (EERE)

    0; public static void createmyArray() for(int i0; iinputRow; i++) for(int j0; jstateList.length; j++) if (inputi0.equals(stateAbbj))...

  9. Microbial Fuel Cell Technologies--MxCs: Can They Scale?

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... cm Design: Limited by cathode area, so in this example we achieve 10 m 2 m 3 10 cm 100 cm Logan (2012) Chem. Sus. Chem. 22 MFC + AFMBR (Anaerobic Fluidized Bed Membrane Bioreactor...

  10. LANL Instrument to Shine Light on Mars Habitability | National...

    National Nuclear Security Administration (NNSA)

    called ChemCam, which will use blasts of laser energy to remotely probe Mars's surface. ... Chemcam When ChemCam fires its extremely powerful laser pulse, it will vaporize an area ...

  11. Richard Rosenberg

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Light-Emission Properties of Silicon-Based Nanostructures," ChemPhysChem. 8, 2557 (2007). Richard A. Rosenberg, Gopal K. Shenoy, Matthew F. Chisholm, Li-Chia Tien, David Norton,...

  12. A QUARTERLY RESEARCH & DEVELOPMENT JOURNAL

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    ... The ChemLab(tm) prototype can identify chemical agents used in warfare and terrorism, as ... For more information on ChemLab, please contact John Vitko at (925) 294- 2820 or ...

  13. 2006 Publications | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Barnard A. and Curtiss L., "Predicting the Shape and Structure of Face-Centered Cubic Gold Nanocrystals Smaller Than 3 nm," Chem. Phys. Chem, 7, pp1544-1553, 2006 Barnard A. and...

  14. PCIRCLE

    Energy Science and Technology Software Center (OSTI)

    003870WKSTN00 pcircle - A Suite of Scalable Parallel File System Tools https://github.com/ORNL-TechInt/pcircle

  15. Top Science of 2013

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ChemCam to see if Mars can support life, manned missions /science-innovation/_assets/images/icon-science.jpg Top Science of 2013 Our strong interdisciplinary teaming and unique research facilities allow us to develop solutions to complex problems, and to support partners and collaborators, all with the goal of strengthening national security and making a safer world. ChemCam inpsects Mars: can it support life? placeholder ChemChem's instrumentation aboard the Mars Science Lab's rover Curiosity

  16. Description of recommended non-thermal mixed waste treatment technologies: Version 1.0

    SciTech Connect (OSTI)

    1995-08-01

    This document contains description of the technologies selected for inclusions in the Integrated Nonthermal Treatment Systems (INTS) Study. The purpose of these descriptions is to provide a more complete description of the INTS technologies. It supplements the summary descriptions of candidate nonthermal technologies that were considered for the INTS.

  17. Integrated Biorefinery Process

    Energy Savers [EERE]

    Int'l Smart Grid Action Network Int'l Smart Grid Action Network International PDF icon Int'l Smart Grid Action Network More Documents & Publications Clean Energy Ministerial Press Fact Sheet IEA: Tracking Clean Energy Progress: Energy Technology Perspectives 2012 Joint Statement by Energy Ministers of G8, The People's Republic of China, India and The Republic of Korea (June 2008) of Energy

    Integrated Biorefineries:Biofuels, Biopower, and Bioproducts Integrated Biorefineries:Biofuels,

  18. Erratum: "A transformed framework for dynamic correlation in

    Office of Scientific and Technical Information (OSTI)

    multireference problems" [J. Chem. Phys. 142, 124107 (2015)] (Journal Article) | SciTech Connect Erratum: "A transformed framework for dynamic correlation in multireference problems" [J. Chem. Phys. 142, 124107 (2015)] Citation Details In-Document Search This content will become publicly available on February 3, 2017 Title: Erratum: "A transformed framework for dynamic correlation in multireference problems" [J. Chem. Phys. 142, 124107 (2015)] Authors: Sokolov,

  19. CASL-U-2015-0158-000

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    - Joint International Conference on Mathematics and Computation (M&C), Supercomputing ... Int. Conf. Mathematics and Computational Methods Applied to Nuclear Science & Engineering ...

  20. CASL-U-2015-0159-000 The Implementation

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    - Joint International Conference on Mathematics and Computation (M&C), Supercomputing ... Int. Conf. Mathematics and Computational Methods Applied to Nuclear Science & Engineering ...

  1. Radiocarbon (Geochronology)

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    Belfast: Marine Reservoir Database Calib Calibomb CLAMBACON IntCal Database Oxford University Radiocarbon Unit: OxCal PaleoclimateEnvironmental Databases: Neotoma NOAA...

  2. zeller-MC-session.ppt

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    description of * the two are obviously related, will focus on the latter Sam Zeller, NuInt09, path forward session 2 Current Situation - experimental side: use...

  3. 1

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    rejected Items without disclosing the corrective actions taken. INT14 LANGUAGE The English language version of this Contract shall be controlling. All deliverables under this...

  4. EERE PowerPoint 97-2004 Template: Green Version

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    MT Gravity Radar Geology Geothermal Technologies Office 2015 Peer Review Kelly Rose, NETL Scott Urquhart, Zonge Int. Adam Schultz, OSU Paul Vincent, OSU Track 3 EGS1 This...

  5. piggy_prohibition.indd

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    int.lanl.govsecurityintegratingdeployed.shtml References References 1) Manager's Instruction 07-004, Piggybacking Prohibition, June 2007 2) Escorting Uncleared US Visitors...

  6. Microsoft Word - Document1

    Energy Savers [EERE]

    ... the 690,000,000 Hanford Waste Treatment Plant. * ... ORG CODE A-123INT CNTRL BLDG OCCUP COPY SVCS CORPORATE ... to the plan by Bechtel Marine Propulsion Corporation. ...

  7. Search results | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Module for Energy Education Find activities focused on renewable energy sources such as solar and wind. http:energy.goveereeducationdownloadsalternative-energy-sources-inte...

  8. Santa Clara County, California: Energy Resources | Open Energy...

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    Int.: Previous (maiden) or other surnames known by: Permanent Address: Soc. Sec. No.: Sex: Male Female Birth date: Month Day Year Job Title or Duties: Department: Room Number:...

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    Conferences Upcoming Conferences: Link to upcoming neutrino meetings NuInt09 - 6th Int'l Workshop on Neutrino-Nucleus Interactions in the Few GeV Region (May 18-22, 2009, Sitges, Barcelona, Spain) Past Conferences: Elba X - Electron-Nucleus Scattering Workshop (June 23-27, 2008, Marciana Marina, Elba, Italy) NuFact08 - 10th Int'l Workshop on Neutrino Factories, Superbeams, and Betabeams (June 30-July 5, 2008, Valencia, Spain) Neutrino 08 - XXIII Int'l Conference on Neutrino Physics and

  11. UNFCCC-Finance Portal | Open Energy Information

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    Framework Convention on Climate Change Sector: Climate Topics: Finance Resource Type: Lessons learnedbest practices User Interface: Website Website: unfccc.int...

  12. 2005 Publications Resulting from the Use of NERSC Resources

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    ... beams from optical injection with a cleanup pulse," Phys. ... 2005: Load balancing and scalability of a subgrid orography scheme in a global climate model. Int. J. High ...

  13. DOE Technical Targets for Hydrogen Production from Microbial...

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    ... "Electrochemical evaluation of a molybdenum disulfide catalyst for the hydrogen evolution reaction under solution conditions applicable to microbial electrolysis cells." Int. ...

  14. bia-pulse | netl.doe.gov

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    et al., (ThermoChem, Inc.), Second Annual Clean Coal Technology Conference, Atlanta, GA U.S. Department of Energy report CONF-9309152. Advanced Energy Conversion Systems ...

  15. WorkloadN6v15

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    timesteps F90 netCDF GAMESS QuantumChem (BES) Denselinear algebra,DFT 256,1024(Same asTI-09) rmsgradient,MP2...

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    Single Crystalline Porphyrinic Titanium Metal-Organic Framework Previous Next List Yuan, ... A Single Crystalline Porphyrinic Titanium Metal-organic Framework. Chem. Sci., 6, ...

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    A Versatile Synthetic Route for the Preparation of Titanium Metal-Organic Frameworks. ... A Single Crystalline Porphyrinic Titanium Metal-organic Framework. Chem. Sci., 6, ...

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    ... Squibb New Brunswick, NJ ChemProcess Technologies, LLC Bensalem, PA New Jersey Nanotechnology Consortium Murray Hill, NJ Information by Design Hoboken, NJ Frank Shinneman New ...

  19. Strong influence of coadsorbate interaction on CO desorption...

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  2. NREL Power point slide template - cover and main slide

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    needs an industrial-class distribution system similar to corn Short rotation poplar ZeaChem, Inc. ... compatibility Challenges *Land use change *Pyrolysis process design *Algae ...

  3. Chemical Technology Division progress report, October 1, 1989--June 30, 1991

    SciTech Connect (OSTI)

    Not Available

    1992-04-01

    This progress report reviews the mission of the Chemical Technology Division (Chem Tech) and presents a summary of organizational structure, programmatic sponsors, and funding levels for the period October 1, 1988, through June 30, 1991. The report also summarizes the missions and activities of organizations within Chem Tech for the reporting period. Specific projects performed within Chem Tech's energy research programs, waste and environmental programs, and radiochemical processing programs are highlighted. Other information regarding publications, patents, awards, and conferences organized by Chem Tech staff is also included.

  4. Chemical Technology Division progress report, October 1, 1989--June 30, 1991

    SciTech Connect (OSTI)

    Not Available

    1992-04-01

    This progress report reviews the mission of the Chemical Technology Division (Chem Tech) and presents a summary of organizational structure, programmatic sponsors, and funding levels for the period October 1, 1988, through June 30, 1991. The report also summarizes the missions and activities of organizations within Chem Tech for the reporting period. Specific projects performed within Chem Tech`s energy research programs, waste and environmental programs, and radiochemical processing programs are highlighted. Other information regarding publications, patents, awards, and conferences organized by Chem Tech staff is also included.

  5. Chemical Technology Division progress report, July 1, 1991--December 31, 1992

    SciTech Connect (OSTI)

    Genung, R.K.; Hightower, J.R.; Bell, J.T.

    1993-05-01

    This progress report reviews the mission of the Chemical Technology Division (Chem Tech) and presents a summary of organizational structure, programmatic sponsors, and funding levels for the period July 1, 1991, through December 31, 1992. The report also summarizes the missions and activities of organizations within Chem Tech for the reporting period. Specific projects performed within Chem Tech`s energy research programs, waste and environmental programs, and radiochemical processing programs are highlighted. Special programmatic activities conducted by the division are identified and described. Other information regarding publications, patents, awards, and conferences organized by Chem Tech staff is also included.

  6. Los Alamos laser instrument arrives on Red Planet's surface

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    Laser instrument arrives on Red Planet's surface Los Alamos laser instrument arrives on Red Planet's surface The ChemCam laser characterization instrument was developed at LANL and ...

  7. ARM - Measurement - Cloud optical depth

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    TWST : Three Waveband Spectrally-agile Technique Sensor WRF-CHEM : Weather Research and Forecasting (WRF) Model Output Value-Added Products LBTM-MINNIS : Minnis Cloud Products...

  8. Sandia National Laboratories: News: Publications: Lab News

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    detector for the military, the MicroChemLab. Ever since, Sandia has improved such microfluidics- and microelectromechanical (MEMS) systems-based instruments that identify...

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    Country of Publication: United States Language: English Subject: 99 GENERAL AND MISCELLANEOUS ACCPHY, ACCSYS, BIO, CHEM, EARTH, ENV, GRQC, HEPTH, INST, MATSCI, PHYS, POLY, SYNCHRAD ...

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    November 2015, Special Topic Guest Speaker Stephen J. Harris, Materials Science Division ... Materials Science, MSU Jul 2015, Jonathan Larson, Janice Reutt-Robey Group, Chem & ...

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    Resources Contact Information Basic Energy Sciences U.S. Department of Energy SC-22... Green Chem. 16, 63-68 (2014) External link . This graphical representation of ...

  12. Giner, Inc./GES

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    ... Laser- Drilled Chem-Etch Cost Reduction BPSH DSM Supports PFSA Supported Membranes ... High electrical conductivity and high surface conductivity Resistant to hydrogen ...

  13. Uranium and thorium complexes of the phosphaethynolate ion

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    aHeavy Element Chemistry Group, Chemical Sciences Division, Lawrence Berkeley ... 2015 Chem. Sci. View Article Online Chemical Science Edge Article 1 .inmiuiN ...

  14. Chemical Hieroglyphs: Abstract Depiction of Complex Void Space...

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    Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous Materials Previous Next List Kevin Theisen, Berend Smit and Maciej Haranczyk, J. Chem. Inf. ...

  15. Complexation of Polyoxometalates with Cyclodextrins (Journal...

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    Publication Date: 2015-08-26 OSTI Identifier: 1178853 Resource Type: Journal Article Resource Relation: Journal Name: J. Am. Chem. Soc.; Journal Volume: 137; Journal Issue: (12) ; ...

  16. 2016 Publications | Stanford Synchrotron Radiation Lightsource

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    ... Influence of Capacitive Surface States on Iron Oxide Photonodes", J. Phys. Chem. ... A. F. Kintzer and R. M. Stroud, "Structure, Inhibition and Regulation of Two-pore Channel ...

  17. A Novel Mechanism for Binding of Galactose-terminated Glycans...

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    OSTI Identifier: 1213712 Resource Type: Journal Article Resource Relation: Journal Name: J. Biol. Chem.; Journal Volume: 290; Journal Issue: (27) ; 07, 2015 Research Org: Advanced ...

  18. Distinct Structural Elements Dictate the Specificity of the Type...

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    OSTI Identifier: 1006973 Resource Type: Journal Article Resource Relation: Journal Name: Chem. Biol.; Journal Volume: 15; Journal Issue: (10) ; 10, 2008 Research Org: Advanced ...

  19. Structure-Function Analyses of the Interactions between Rab11...

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  20. Discovery of a new ATP-binding motif involved in peptidic azoline...

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    OSTI Identifier: 1163365 Resource Type: Journal Article Resource Relation: Journal Name: Nat. Chem. Biol.; Journal Volume: 10; Journal Issue: 10, 2014 Research Org: Advanced Photon ...

  1. Structure of a PL17 Family Alginate Lyase Demonstrates Functional...

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    OSTI Identifier: 1128570 Resource Type: Journal Article Resource Relation: Journal Name: J. Biol. Chem.; Journal Volume: 289; Journal Issue: (12) ; 03, 2014 Research Org: Advanced ...

  2. Structure, Activity, and Substrate Selectivity of the Orf6 Thioesteras...

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    OSTI Identifier: 1191726 Resource Type: Journal Article Resource Relation: Journal Name: J. Biol. Chem.; Journal Volume: 288; Journal Issue: (15) ; 04, 2013 Research Org: Advanced ...

  3. Isolation and identification of apolar metabolites of ingested...

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    Resource Type: Journal Article Resource Relation: Journal Name: J. Chem. Ecol.; (United ... POLLUTANT EFFECTS ON LIVING ORGS. AND BIOL. MAT.; GROWTH; INHIBITION; LARVAE; ...

  4. Structural and Biochemical Analysis of DNA Helix Invasion by...

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  5. Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransf...

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    OSTI Identifier: 1031376 Resource Type: Journal Article Resource Relation: Journal Name: J. Biol. Chem.; Journal Volume: 286; Journal Issue: (42) ; 06, 2011 Research Org: Advanced ...

  6. Autoinhibition and Signaling by the Switch II Motif in the G...

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  7. High Methane Storage Capacity in Aluminum Metal-Organic Frameworks...

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    High Methane Storage Capacity in Aluminum Metal-Organic Frameworks Previous Next List Felipe Gndara, Hiroyasu Furukawa, Seungkyu Lee, and Omar M. Yaghi, J. Am. Chem. Soc., 136,...

  8. Functionalized High Performance Polymer Membranes for Separation...

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    Functionalized High Performance Polymer Membranes for Separation of Carbon Dioxide and Methane Previous Next List Natalia Blinova and Frantisek Svec, J. Mater. Chem. A, 2, 600-604...

  9. Geek-Up[09.24.10] -- Magical BEANs, Combating Bacteria's Resistance to

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    Antibiotics and the ChemCam's Journey to Mars | Department of Energy 9.24.10] -- Magical BEANs, Combating Bacteria's Resistance to Antibiotics and the ChemCam's Journey to Mars Geek-Up[09.24.10] -- Magical BEANs, Combating Bacteria's Resistance to Antibiotics and the ChemCam's Journey to Mars September 24, 2010 - 5:19pm Addthis Check out the ChemCam close-up, which will reveal which elements are present in Mars' rocks and soils. Elizabeth Meckes Elizabeth Meckes Director of User Experience

  10. Polarized Photofission Fragment Angular Distributions

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    ... the energy difference between the barrier penetration would diminish the natural preference ... JETP, 61:684, 1971. 34 A. Krasznahorkay. Handbook of Nucl. Chem., volume 1. ...

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    Filter Results Filter by Subject chem (3) applied life sciences (2) basic biological sciences (2) design (2) glycoproteins (2) affinity (1) aids virus (1) antibodies (1) antigens ...

  12. Introduction to Chemistry and Material Sciences Applications

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    Intro Chem and MatSci Apps Introduction to Chemistry and Material Sciences Applications June 26, 2012 Last edited: 2016-04-29 11:34:4

  13. Computer-Aided Construction of Combustion Chemistry Models

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    Constructing Accurate Combustion Chemistry Models: Butanols William H. Green & Michael Harper MIT Dept. of Chem. Eng. CEFRC Annual Meeting, Sept. 2010 The people who did this work:...

  14. Interpenetration control in metal-organic frameworks for functional...

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    Interpenetration control in metal-organic frameworks for functional applications Previous Next List Hai-Long Jiang, Trevor A. Makal, Hong-Cai Zhou, Coord. Chem. Rev., 257,...

  15. Introduction to Chemistry and Material Sciences Applications

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    Intro Chem and MatSci Apps Introduction to Chemistry and Material Sciences Applications June 26, 2012 L ast edited: 2015-12-11 16:11:02...

  16. Erratum: "A transformed framework for dynamic correlation in...

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    Title: Erratum: "A transformed framework for dynamic correlation in multireference problems" J. Chem. Phys. 142, 124107 (2015) Authors: Sokolov, Alexander Yu. 1 ; Chan, Garnet ...

  17. 2008 Annual Merit Review Results Summary - 3. Battery Development...

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    ... will move the technologies toward or into the marketplace? Please state the reasons for your selection. One reviewer highlighted CPI's previous history as LG Chem in successfully ...

  18. Fluid Interface Reactions, Structures and Transport

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    P.; Dai, S.; Geiger, F. Interaction of Magnesium Ions with Pristine Single Layer and Defected GrapheneWater Interfaces Studied by Second Harmonic Generation, J. Phys. Chem. ...

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    ... Filter Results Filter by Subject chem (6) materials science (3) silicon (3) irradiation (2) laser radiation (2) silica (2) texture (2) thin films (2) alignment (1) buffers (1) ...

  20. Geek-Up[09.24.10] -- Magical BEANs, Combating Bacteria's Resistance...

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    of User Experience & Digital Technologies, Office of ... Check the video above for a close-up look at the ChemCam. ... National Laboratory. | Photo courtesy of NASA...

  1. Stage-Gate Innovation Management Guidelines

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    ... num, Chem ca s, Forest Products, G ass, Meta -cast ng, M ... pract ces, Industr Assessment Centers, emerging ... and that a more open, creative set of rules is ...

  2. Addressing Challenges of Identifying Geometrically Diverse Sets...

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    Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials Previous Next List R. L. Martin, B. Smit, and M. Haranczyk, J. Chem Inf. Model. 52...

  3. NETL F 451.1/1-1, Categorical Exclusion Designation Form

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    Skies Consulting - Charlotte, NC FESCCAESD Darryl Shockley Chem. Looping Coal Gasification Sub-Pilot Unit Demo & Econ Assessment for IGCC Complete detailed design, construct...

  4. Geist_1998.pdf

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    Antibiotics and the ChemCam's Journey to Mars | Department of Energy 09.24.10] -- Magical BEANs, Combating Bacteria's Resistance to Antibiotics and the ChemCam's Journey to Mars Geek-Up[09.24.10] -- Magical BEANs, Combating Bacteria's Resistance to Antibiotics and the ChemCam's Journey to Mars September 24, 2010 - 5:19pm Addthis Check out the ChemCam close-up, which will reveal which elements are present in Mars' rocks and soils. Elizabeth Meckes Elizabeth Meckes Director of User Experience

  5. The Yi Liu Group - Home

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    Publications Contacts - New chemistry led to new discotic azacoronenes that function as dual responsive proton sensors. See the latest publication on Chem. Sci. - Check out the...

  6. Integrated Biorefineries:Biofuels, Biopower, and Bioproducts...

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    Solazyme, Inc. Peoria, IL Pilot Algae UOP, LLC Kapolei, HI Pilot Thermo - Pyrolysis ZeaChem, Inc. Boardman, OR Pilot Thermo - Pyrolysis Elevance* Boilingbrook, IL...

  7. Center for Nanophase Materials Sciences (CNMS) - Publications

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    ... Reaction with Tin Anodes: Experiment and Theory," ... for High Avidity Microbial Capture," ... Layers of Proton Exchange Membrane Fuel Cells," J. Phys. Chem. ...

  8. Description and Evaluation of Tropospheric Chemistry and Aerosols in the Community Earth System Model (CESM1.2)

    SciTech Connect (OSTI)

    Tilmes, S.; Lamarque, J.-F.; Emmons, L.; Kinnison, Douglas E.; Ma, Po-Lun; Liu, Xiaohong; Ghan, Steven J.; Bardeen, C.; Arnold, S.; Deeter, M.; Vitt, Francis; Ryerson, T. B.; Elkins, J. W.; Moore, F.; Spackman, R.; Martin, M. V.

    2015-01-01

    The Community Atmosphere Model (CAM), version 5, is now coupled to extensive tropospheric and stratospheric chemistry, called CAM5-chem, and is available in addition to CAM4-chem in the Community Earth System Model (CESM) version 1.2. Both configurations are well suited as tools for atmospheric-chemistry modeling studies in the troposphere and lower stratosphere, whether with internally derived free running (FR) meteorology, or specified dynamics (SD). The main focus of this paper is to compare the performance of these configurations against observations from surface, aircraft, and satellite, as well as understand the origin of the identified differences. We particularly focus on comparing present-day methane lifetime estimates within the different model configurations, which range between 7.8 years in the SD configuration of CAM5-chem and 8.8 years in the FR configuration of CAM4-chem. We find that tropospheric surface area density is an important factor in controlling the burden of the hydroxyl radical (OH), which causes differences in tropical methane lifetime of about half a year between CAM4-chem and CAM5-chem. In addition, different distributions of nitrogen oxides (NOx) produced from lightning production explain about half of the difference between SD and FR model versions in both CAM4-chem and CAM5-chem. Remaining differences in the tropical OH burden are due to enhanced tropical ozone burden in SD configurations compared to the FR versions, which are not only caused by differences in chemical production or loss, but also by transport and mixing. For future studies, we recommend the use of CAM5-chem, due to improved aerosol description and inclusion of aerosol-cloud interactions. However, smaller tropospheric surface area density in the current version of CAM5-chem compared to CAM4-chem results in larger oxidizing capacity in the troposphere and therefore a shorter methane lifetime.

  9. Description and Evaluation of Tropospheric Chemistry and Aerosols in the Community Earth System Model (CESM1.2)

    SciTech Connect (OSTI)

    Tilmes, S.; Lamarque, J. -F.; Emmons, L.; Kinnison, Douglas E.; Ma, Po-Lun; Liu, Xiaohong; Ghan, Steven J.; Bardeen, C.; Arnold, S.; Deeter, M.; Vitt, Francis; Ryerson, T. B.; Elkins, J. W.; Moore, F.; Spackman, R.; Martin, M. V.

    2015-05-13

    The Community Atmosphere Model (CAM), version 5, is now coupled to extensive tropospheric and stratospheric chemistry, called CAM5-chem, and is available in addition to CAM4-chem in the Community Earth System Model (CESM) version 1.2. Both configurations are well suited as tools for atmospheric-chemistry modeling studies in the troposphere and lower stratosphere, whether with internally derived free running (FR) meteorology, or specified dynamics (SD). The main focus of this paper is to compare the performance of these configurations against observations from surface, aircraft, and satellite, as well as understand the origin of the identified differences. We particularly focus on comparing present-day methane lifetime estimates within the different model configurations, which range between 7.8 years in the SD configuration of CAM5-chem and 8.8 years in the FR configuration of CAM4-chem. We find that tropospheric surface area density is an important factor in controlling the burden of the hydroxyl radical (OH), which causes differences in tropical methane lifetime of about half a year between CAM4-chem and CAM5-chem. In addition, different distributions of nitrogen oxides (NOx) produced from lightning production explain about half of the difference between SD and FR model versions in both CAM4-chem and CAM5-chem. Remaining differences in the tropical OH burden are due to enhanced tropical ozone burden in SD configurations compared to the FR versions, which are not only caused by differences in chemical production or loss, but also by transport and mixing. For future studies, we recommend the use of CAM5-chem, due to improved aerosol description and inclusion of aerosol-cloud interactions. However, smaller tropospheric surface area density in the current version of CAM5-chem compared to CAM4-chem results in larger oxidizing capacity in the troposphere and therefore a shorter methane lifetime.

  10. Description and Evaluation of Tropospheric Chemistry and Aerosols in the Community Earth System Model (CESM1.2)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Tilmes, S.; Lamarque, J. -F.; Emmons, L.; Kinnison, Douglas E.; Ma, Po-Lun; Liu, Xiaohong; Ghan, Steven J.; Bardeen, C.; Arnold, S.; Deeter, M.; et al

    2015-05-13

    The Community Atmosphere Model (CAM), version 5, is now coupled to extensive tropospheric and stratospheric chemistry, called CAM5-chem, and is available in addition to CAM4-chem in the Community Earth System Model (CESM) version 1.2. Both configurations are well suited as tools for atmospheric-chemistry modeling studies in the troposphere and lower stratosphere, whether with internally derived “free running” (FR) meteorology, or “specified dynamics” (SD). The main focus of this paper is to compare the performance of these configurations against observations from surface, aircraft, and satellite, as well as understand the origin of the identified differences. We particularly focus on comparing present-daymore » methane lifetime estimates within the different model configurations, which range between 7.8 years in the SD configuration of CAM5-chem and 8.8 years in the FR configuration of CAM4-chem. We find that tropospheric surface area density is an important factor in controlling the burden of the hydroxyl radical (OH), which causes differences in tropical methane lifetime of about half a year between CAM4-chem and CAM5-chem. In addition, different distributions of nitrogen oxides (NOx) produced from lightning production explain about half of the difference between SD and FR model versions in both CAM4-chem and CAM5-chem. Remaining differences in the tropical OH burden are due to enhanced tropical ozone burden in SD configurations compared to the FR versions, which are not only caused by differences in chemical production or loss, but also by transport and mixing. For future studies, we recommend the use of CAM5-chem, due to improved aerosol description and inclusion of aerosol-cloud interactions. However, smaller tropospheric surface area density in the current version of CAM5-chem compared to CAM4-chem results in larger oxidizing capacity in the troposphere and therefore a shorter methane lifetime.« less

  11. Impact of sub-cell internal luminescence yields on energy conversion efficiencies of tandem solar cells: A design principle

    SciTech Connect (OSTI)

    Zhu, Lin Kim, Changsu; Yoshita, Masahiro; Chen, Shaoqiang; Sato, Shintaroh; Mochizuki, Toshimitsu; Akiyama, Hidefumi; Kanemitsu, Yoshihiko

    2014-01-20

    To develop a realistic design principle, we calculated the maximum conversion efficiency ?{sub sc} and optimized sub-cell band-gap energies E{sub g} in double-junction tandem solar cells via a detailed-balance theory, paying particular attention to their dependence on internal luminescence quantum yields y{sub int} of the top and bottom sub-cell materials. A strong drop in the maximum ?{sub sc} occurs when y{sub int} slightly drops from 1 to 0.9, where the drop in y{sub int} of the bottom cell causes a stronger effect than that of the top cell. For low values of y{sub int}, the maximum ?{sub sc} has a simple logarithmic dependence on the geometric mean of the two sub-cells'y{sub int}.

  12. Laser parametric instability experiments of a 3ω, 15 kJ, 6-ns laser

    Office of Scientific and Technical Information (OSTI)

    pulse in gas-filled hohlraums at the Ligne d'Intégration Laser facility (Journal Article) | SciTech Connect Laser parametric instability experiments of a 3ω, 15 kJ, 6-ns laser pulse in gas-filled hohlraums at the Ligne d'Intégration Laser facility Citation Details In-Document Search Title: Laser parametric instability experiments of a 3ω, 15 kJ, 6-ns laser pulse in gas-filled hohlraums at the Ligne d'Intégration Laser facility Experimental investigation of stimulated Raman (SRS) and

  13. NREL: National Residential Efficiency Measures Database - Data Dictionary

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    Dictionary This page features the data dictionary for the National Residential Efficiency Measures Database, which supplies users with information about the database organization such as table structure, field names, and data element type and length. tblAction Column name Data type Length Description ActionID int 4 Primary key for actions sName varchar 255 Action name idComponentTypeID int 4 The component type to which this action may be applied (foreign key) idActionTypeID int 4 The action type

  14. Global 3 parameter model for neutrino oscillations with Lorentz

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    31/2007 Teppei Katori, Indiana University, NuInt '07 1 Charged Current Interaction measurements in MiniBooNE hep-ex/0706.0926 Teppei Katori for the MiniBooNE collaboration Indiana University NuInt 07, Fermilab, May., 31, 07 05/31/2007 Teppei Katori, Indiana University, NuInt '07 2 outline 1. CCQE events in MiniBooNE 2. Prediction for CCQE events 3. CCQE data-MC comparison 4. Fit results 5. Anti-neutrino CCQE events 6. Conclusion Charged Current Interaction measurements in MiniBooNE

  15. 1

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    Martian laser surpasses 100,000 zaps December 5, 2013 Los Alamos's ChemCam team fills scrapbook from Mars road trip LOS ALAMOS, N.M., Dec. 5, 2013-The ChemCam laser instrument aboard NASA's Curiosity rover fired its 100,000th shot recently, chronicling its adventures on Mars with a coffee-table-book's worth of spectral data that might rival snapshots gathered during a long and satisfying family vacation here on Earth. ChemCam zaps rocks with a high- powered laser to determine their composition

  16. Planetary scientist to discuss Curiosity rover's visit to Mars

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Scientist to discuss Curiosity rover's visit to Mars Planetary scientist to discuss Curiosity rover's visit to Mars Agnes Cousin-Pilleri will discuss the trailblazing discoveries made by the ChemCam instrument on the Curiosity rover on Mars on May 28. May 23, 2014 Curiosity zaps Mars for vital signs: ChemCam, designed by Lab team, looks for elements such as carbon, nitrogen, and oxygen, all of which are crucial for life. Curiosity zaps Mars for vital signs: ChemCam, designed by Lab team, looks

  17. Chemical Technology Division: Progress report, January 1, 1987--June 30, 1988

    SciTech Connect (OSTI)

    Not Available

    1989-02-01

    This progress report summarizes the research and development efforts conducted in the Chemical Technology Division (Chem Tech) during the period January 1, 1987, to June 30, 1988. The following major areas are covered: waste management and environmental programs, radiochemical and reactor engineering programs, basic science and technology, Nuclear Regulatory Commission programs, and administrative resources and facilities. The Administrative Summary, an appendix, presents a comprehensive listing of publications, oral presentations, awards and recognitions, and patents of Chem Tech staff members during this period. A staffing level and financial summary and lists of seminars and Chem Tech consultants for the period are also included.

  18. E:\\PUBLAW\\PUBL404.106

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    its t chnology transf r function, including its plans for s curing int ll ctual prop rty rights in laboratory innovations with comm rcial promis and plans for managing its...

  19. CC?

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    0 Event Reconstruction at MiniBooNE Robert Nelson University of Colorado, Boulder 2009.5.21 NuInt09 - single pion session Sitges, Barcelona p n CC 0 events + n ...

  20. Residential Central Wood Pellet Heating Program

    Broader source: Energy.gov [DOE]

    Project sites must be located in a utility territory that contributes to the Renewable Energy Trust Fund (National Grid, Eversource, Unitil, and municipal light plants that have agreed to pay int...

  1. Microsoft Word - 2005 Smooth Brome 032206 FINAL.doc

    Office of Environmental Management (EM)

    n i c a D ra w So uth Int erc ep tor Di tch W o m a n C re ek Smooth Brome Treatment Location Smooth Brome Weed Control Locations Figure 2 DATA SOURCE BASE FEATURES: Buildings,...

  2. Microsoft Word - MPW_Fact_Sheet_SAND2010-4820P_updated_format...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Inte rvices integra afer resource circuits in low rogram prov production fa test and pac ened, 3.3 v, 0 ors, and diod tal and analo n Kit. managed and oper artment of Energy r...

  3. OAK RIDGE NATIONAL LABORATORY LABORATORY RESULTS OF THE INDEPENDENT...

    Office of Legacy Management (LM)

    ... L o ROCHELLE PARK it SCANEL L N JeirGROVE & PARK WAYI , . 8 eLODI ESSEX ST IU'ERSTArn7 8C N INT NO %NCA C T SA ' |LONG VALLE REDSTONE LA < > * -' '- I - ...

  4. Publications

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    processes: A review," Int. J. of Machine Tools and Manufacture, 2007; 47(15), pp. 2189-2206. K. Wang, D. J. Inman and C. R. Farrar, "Modeling and analysis of a cracked...

  5. Residential On-Bill Financing Programs- Nicor Gas, North Shore Gas, Peoples Gas, Ameren and ComEd

    Broader source: Energy.gov [DOE]

    S.B. 2350 expanded the loan program to include loans of up to $150,000 to retail customers that own multi-family residential or mixed-use buildings with no more than 50 residential units. The int...

  6. Final Report: Axion "Roadmap" Workshop

    SciTech Connect (OSTI)

    Rosenberg, Leslie J

    2013-03-19

    Final report for "Vistas in Axion Physics: A Roadmap for Theoretical and Experimental Axion Physics through 2025", which was held at the University of Washington, INT, from April 23 - 26, 2012.

  7. MiniBooNE E. D. Zimmerman

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    * No flux tuning based on MB data * Most important production measurements from HARP(at CERN) at 8.9 GeVc beam momentum (as MB), 5% int. length Be target (Eur.Phys.J.C52...

  8. CP Violation at BaBar (Conference) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Journal Name: Int.J.Mod.Phys.A23:3273-3276,2008; Conference: Prepared for 4th International Conference on Flavor Physics (ICFP 2007), Beijing, China, 24-28 Sep ...

  9. Fuel Cell Buses in U.S. Transit Fleets: Current Status 2012

    Fuel Cell Technologies Publication and Product Library (EERE)

    This report is the sixth in an annual series of reports that summarize the progress of fuel cell electric bus (FCEB) development in the United States and discuss the achievements and challenges of int

  10. Session Papers Preliminary Analysis of Ground-Based Microwave...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Shaw, J. A., J. H. Churnside, and E. R. Westwater. 1991. An Infrared Spectrometer for Ground-Based Profiling of Atmospheric Temperature and Humidity. Proc. SPIE Int'l. Symp. on...

  11. Posters Preliminary Analysis of Ground-Based Microwave and Infrared...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Shaw, J. A., J. H. Churnside, and E. R. Westwater. 1991. An Infrared Spectrometer for Ground-Based Profiling of Atmospheric Temperature and Humidity. Proc. SPIE Int'l. Symp. on...

  12. C.F.von Weizsäcker-Political consequences of science

    ScienceCinema (OSTI)

    None

    2011-04-25

    le DG C.Rubbia remercie le Prof.C.F.von Weizsäcker pour ses trois conférences très intéréssantes

  13. Intel uses very old version of libstdc++ by default [updated...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    node, which is typically quite old. This test case illustrates the problem on Edison: > cat TestLibVersion.C include int main() std::cout<<"libstdc++ version is "<<...

  14. Pyroelectric response mechanism of barium strontium titanate ceramics in dielectric bolometer mode: The underlying essence of the enhancing effect of direct current bias field

    SciTech Connect (OSTI)

    Mao, Chaoliang; Cao, Sheng; Yan, Shiguang; Yao, Chunhua; Cao, Fei; Wang, Genshui; Dong, Xianlin; Hu, Xu; Yang, Chunli

    2013-06-17

    Pyroelectric response mechanism of Ba{sub 0.70}Sr{sub 0.30}TiO{sub 3} ceramics under dielectric bolometer (DB) mode was investigated by dielectric and pyroelectric properties measurement. The variations of total, intrinsic, and induced pyroelectric coefficients (p{sub tot}, p{sub int}, p{sub ind}) with temperatures and bias fields were analyzed. p{sub int} plays the dominant role to p{sub tot} through most of the temperature range and p{sub ind} will be slightly higher than p{sub int} above T{sub 0}. The essence of the enhancing effect of DC bias field on pyroelectric coefficient can be attributed to the high value of p{sub int}. This mechanism is useful for the pyroelectric materials (DB mode) applications.

  15. HDF5-tutorial_NUG_2010.ppt

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Identifiers per HDF5 session. For example: C Type HDF5 File Type HDF5 Memory Type int H5TSTDI32BE H5TNATIVEINT H5TSTDI32LE float H5TIEEEF32BE H5TNATIVEFLOAT...

  16. Residential Ground-Source Heat Pump Program

    Broader source: Energy.gov [DOE]

    Project sites must be located in a utility territory that contributes to the Renewable Energy Trust Fund (National Grid, Eversource, Unitil, and municipal light plants that have agreed to pay int...

  17. Selective Gas Adsorption in the Flexible Metal-Organic Frameworks...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Selective Gas Adsorption in the Flexible Metal-Organic Frameworks Cu(BDTri)L (L DMF, DEF) Previous Next List A. Demessence and J. R. Long, Chem.-Eur. J. 16 (20), 5902 (2010) DOI:...

  18. Jihye Park | Center for Gas SeparationsRelevant to Clean Energy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Jihye Park Previous Next List ParkJ PhD Student Department of Chemistry Texas A & M University Email: jihye.park at chem.tamu.edu Phone: 979-422-9821 BS in Chemistry, Dankook...

  19. CEFRC Intranet (Members Only) - Combustion Energy Frontier Research...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    The CEFRC intranet is managed by Professor Donald G. Truhlar and Dr. Jingjing Zheng of the University of Minnesota. The URL is https:cefrc.chem.umn.edugroupscefrcwiki A few ...

  20. Evaluation of the exothermicity of the chemi-ionization reaction...

    Office of Scientific and Technical Information (OSTI)

    Authors: Cox, Richard M ; Kim, JungSoo ; Armentrout, P. B., E-mail: armentrout@chem.utah.edu, E-mail: mheaven@emory.edu, E-mail: albert.viggiano@us.af.mil 1 ; Bartlett, Joshua ; ...

  1. LBNL-50991

    Office of Scientific and Technical Information (OSTI)

    ... Jackson, K., Bowman, L.E., Fulton, J.L., 1995. Water solubility measurements in supercritical fluids and high-pressure liquids using near-infrared spectroscopy. Anal. Chem., 67, ...

  2. NREL: Biomass Research - Eric P. Knoshaug

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    "Algal Biofuels: The Process." Chem. Engin. Prog. (107); pp. 37-47. Knoshaug, E.P.; Franden, M.A.; Stambuk, B.U.; Zhang, M.; Singh, A. (2009). "Utilization and Transport of ...

  3. Efficient Monte Carlo Simulations of Gas Molecules Inside Porous...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials Previous Next List J. Kim and B. Smit, J. Chem. Theory Comput. 8 (7), 2336 (2012) DOI: 10.1021ct3003699 ...

  4. CO2 Capture by Metal-Organic Frameworks with van der Waals Density...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Density Functionals Previous Next List R. Poloni, B. Smit, and J. B. Neaton, J. Phys. Chem. A 116 (20), 4957 (2012) DOI: 10.1021jp302190v Abstract Image Abstract We use density ...

  5. Ba{sub 2}TeO as an optoelectronic material: First-principles...

    Office of Scientific and Technical Information (OSTI)

    and with a 2.93 eV optical bandgap Besara et al., J. Solid State Chem. 222, 60 (2015). ... Resource Relation: Journal Name: Journal of Applied Physics; Journal Volume: 117; ...

  6. Kecheng Wang | Center for Gas SeparationsRelevant to Clean Energy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Fordham, Stephen; and Zhou, Hong-Cai. A Versatile Synthetic Route for the Preparation of Titanium Metal-Organic Frameworks. Chem. Sci., 7, 1063-1069 (2016). 10.1039c5sc03620h

  7. Lanfang Zou | Center for Gas SeparationsRelevant to Clean Energy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A Versatile Synthetic Route for the Preparation of Titanium Metal-Organic Frameworks. Chem. Sci., 7, 1063-1069 (2016). 10.1039c5sc03620h Zou, Lanfang; Feng, Dawei; Liu, Tian-Fu; ...

  8. Shuai Yuan | Center for Gas SeparationsRelevant to Clean Energy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A Versatile Synthetic Route for the Preparation of Titanium Metal-Organic Frameworks. Chem. Sci., 7, 1063-1069 (2016). 10.1039c5sc03620h Yuan, S.; Chen, Y.-P.; Qiang, J.; Lu, ...

  9. Simon Teat | Center for Gas SeparationsRelevant to Clean Energy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A Single Crystalline Porphyrinic Titanium Metal-organic Framework. Chem. Sci., 6, 3926-3930 (2015). 10.1039c5sc00916b Queen, Wendy L; Hudson, Matthew R; Bloch, Eric D; Mason, ...

  10. Ying-Pin Chen | Center for Gas SeparationsRelevant to Clean Energy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A Versatile Synthetic Route for the Preparation of Titanium Metal-Organic Frameworks. Chem. Sci., 7, 1063-1069 (2016). 10.1039c5sc03620h Yuan, S.; Chen, Y.-P.; Qiang, J.; Lu, ...

  11. Stephen Fordham | Center for Gas SeparationsRelevant to Clean...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A Versatile Synthetic Route for the Preparation of Titanium Metal-Organic Frameworks. Chem. Sci., 7, 1063-1069 (2016). 10.1039c5sc03620h Chen, Ying-Pin; Liu, Tian-Fu; Fordham, ...

  12. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Search Authors Type: All BookMonograph ConferenceEvent Journal Article Miscellaneous ... ; Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru ; Ivanova, T.I. ; Koshkid'ko, Yu.S. ...

  13. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    The ChemCam instrument for the 2011 Mars science laboratory mission: system requirements ... solid hydrocarbon hydrates located under either a body of land or a body of water. ...

  14. Vehicle Technologies Office Merit Review 2015: A 12V Start-Stop Li Polymer Battery Pack

    Broader source: Energy.gov [DOE]

    Presentation given by LG Chem Power at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about A 12V start-stop Li polymer...

  15. Cellulose Pyrolysis A Literature, Review.

    Office of Scientific and Technical Information (OSTI)

    ... Polymer. Symp. 28, John Wiley and Sons, pp. 153-174, Syracuse, N.Y., May 19-23, 1975. J. K. Hamilton and R. L. Mitchell, "Cellulose," Encyclopedia of Chem. Tech., - 4, 593-616, ...

  16. RPT_PERIOD","R_S_NAME","LINE_NUM","PROD_CODE","PROD_NAME","PORT...

    U.S. Energy Information Administration (EIA) Indexed Site

    RP",31,820,"UNFINISHED OILS, NAPHTHAS & LIGHTER",5312,"CORPUS CHRIS, TX","TEXAS",3,830,"SPAIN",219,0,0,"CITGO REFG & CHEM INC","CORPUS CHRISTI","TX","TEXAS",3 34000,"CITGO PETRO...

  17. 35461,"AECTRA REFG & MKTG",1,152,"MOTOR GAS, OTHER FINISHED"...

    U.S. Energy Information Administration (EIA) Indexed Site

    CORP",26,840,"UNFINISHED OILS, HEAVY GAS OILS",5312,"CORPUS CHRIS, TX","TEXAS",3,830,"SPAIN",216,0,0,"CITGO REFG & CHEM INC","CORPUS CHRISTI","TX","TEXAS",3 35461,"CITGO PETRO...

  18. RPT_PERIOD","R_S_NAME","LINE_NUM","PROD_CODE","PROD_NAME","PORT...

    U.S. Energy Information Administration (EIA) Indexed Site

    AMER",5,822,"NAPHTHA ( < 401 DEGREES F ENDPOINT)",5301,"HOUSTON, TX","TEXAS",3,830,"SPAIN",24,0,0,,,,, 35826,"EXXON CHEM AMER",6,822,"NAPHTHA ( < 401 DEGREES F...

  19. Martian laser surpasses 100,000 zaps

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Martian laser surpasses 100,000 zaps Martian laser surpasses 100,000 zaps ChemCam zaps rocks with a high-powered laser to determine their composition and carries a camera that can ...

  20. ATF2 Proposal (Technical Report) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    decision on the choice of technology, a world-wide collaboration on the design of the ... High Energy Phys. Oxford U. KEK, Tsukuba Kyoto U., Inst. Chem. Res. Orsay, LAL ...

  1. Microsoft Word - NETL-TRS-X-2014_Development of Fiber Optic Sensors...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... Chem. 2008, 80, 4269-4283. Wong, W. C.; Chan, C. C.; Hu, P.; Chan, J. R.; Low, Y. T.; Dong, X.; Leong, K. C. Miniature pH optical fiber sensor based on waist-enlarged bitaper and ...

  2. Publications, 2015 | MIT-Harvard Center for Excitonics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    5 2015 Brandt, Riley E.; Kurchin, Rachel C.; Hoye, Robert L. Z.; Poindexter, Jeremy R.; ... Phys. Chem. Lett., 6, 4297-4302 (2015). DOI: 10.1021acs.jpclett.5b02022 ...

  3. Inspection Report: S99IS019 | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    9IS019 Inspection Report: S99IS019 June 30, 1999 Inspection of the Chem-Bio Facility at ORNL PDF icon Inspection Report: S99IS019 More Documents & Publications Inspection Report: ...

  4. CNMS Soft Matter workshop

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mamontov (Chem. & Eng. Materials Div SNS) 11:30am-12:00pm IT-2 "Combining light and neutron scattering to understand aqueous solution block copolymer self-assembly" Dr. Vivek...

  5. Biology Chemistry & Material Science Laboratory 2 | Sample Preparation...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    2 Cynthia Patty | (650) 926-3925 Biology Chemistry & Material Science Laboratory 2 Inventory The BioChemMat Lab 2 (BCM 2) at SSRL is dedicated to researcher experiments, including...

  6. Biology Chemistry & Material Science Laboratory 1 | Sample Preparation...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    1 Cynthia Patty | (650) 926-3925 Biology Chemistry & Material Science Laboratory 1 Inventory The BioChemMat Lab 1 at SSRL is dedicated to researcher experiments, including x-ray...

  7. Brett Helms | Center for Gas SeparationsRelevant to Clean Energy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    J. Am. Chem. Soc., 133, 15296-15299 (2011). 10.1021ja2063082 Xu, Ting; Zhao, Nana; Ren, Feng; Hourani, Rami; Lee, Ming Tsang; Shu, Jessica Y; Mao, Samuel; and Helms,...

  8. Ting Xu | Center for Gas SeparationsRelevant to Clean Energy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    J. Am. Chem. Soc., 133, 15296-15299 (2011). 10.1021ja2063082 Xu, Ting; Zhao, Nana; Ren, Feng; Hourani, Rami; Lee, Ming Tsang; Shu, Jessica Y; Mao, Samuel; and Helms,...

  9. Microporous magnets | Center for Gas SeparationsRelevant to Clean...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Microporous magnets Previous Next List Pierre Dechambenoit and Jeffrey R. Long, Chem. Soc. Rev., 2011,40, 3249-3265 DOI: 10.1039C0CS00167H Graphical abstract: Microporous magnets...

  10. New Biorefinery Will Bring Jobs to Northeastern Oregon

    Broader source: Energy.gov [DOE]

    In northeastern Oregon, ZeaChem, a Colorado-based biofuel company, recently broke ground on a 250,000 gallon integrated cellulosic biorefinery. The technology development project is expected to be operating in 2011.

  11. Media Conference Call Advisory: U.S. Department of Energy's Argonne...

    Broader source: Energy.gov (indexed) [DOE]

    Laboratory, General Motors and LG Chem plan to make an announcement about advanced lithium-ion battery technology for electrified vehicles. At 2:30 p.m., ET on Thursday,...

  12. Los Alamos instrument to shine light on Mars habitability

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Laboratory last week is relying in part on an instrument originally developed at Los Alamos called ChemCam, which will use blasts of laser energy to remotely probe Mars's surface. ...

  13. Quarterly Progress Report Template

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... techniques (photo-chem- ical etching, sinker EDM, and diffusion bonding or laser welding). ... 120 bars and can withstand the maximum surface tem- perature associated with a HTF exit ...

  14. Confessions of a meteorite hunter

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    In her day job as a staff scientist at Los Alamos National Laboratory, she operates the Curiosity Rover's ChemCam, using a rock-vaporizing laser to analyze the Martian surface. But ...

  15. LOS ALAMOS, N.M., January 15, 2013-Researchers from Los Alamos...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Researchers from the Mars Science Laboratory's ChemCam team today described how the laser instrument aboard the Curiosity Rover-an SUV-sized vehicle studying the surface of the Red ...

  16. Saccharification of newspaper waste after ammonia fiber expansion...

    Office of Scientific and Technical Information (OSTI)

    ... Italy. 2 Department of Chemical Engineering and Materials Science, DOE Great Lakes ... J Agric Food Chem. 2010;58(16):9043-53. Subhedar PB, Babu NR, Gogate PR. Intensification ...

  17. OSTI, US Dept of Energy, Office of Scientific and Technical Informatio...

    Office of Scientific and Technical Information (OSTI)

    Mars Science Laboratory Curiosity - ChemCam by Dr. William Watson on Wed, Sep 12, 2012 NASAJPL-Caltech How do you run chemical tests at a geologic site millions of miles away from ...

  18. Reporting Macro for Chemstation in support of OPCW

    Energy Science and Technology Software Center (OSTI)

    2006-06-28

    This OPCW Macro is used with Agilent Technologies "MSD ChemStation" to display mass spectral data in a format convenient for reporting to the Organization for the Prohibition of Chemical Weapons.

  19. OSTIblog Posts by Dr. William Watson | OSTI, US Dept of Energy...

    Office of Scientific and Technical Information (OSTI)

    Dr. William Watson's picture Physicist Mars Science Laboratory Curiosity - ChemCam NASA... geologic site millions of miles away from you to see what the rocks and soil are made of? ...

  20. ANSER Center Chemists Design a First-of-its-Kind Solar Cell Experiment...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ANSER Center Chemists Design a First-of-its-Kind Solar Cell Experiment for General Chemistry Students Home > News & Events > ANSER Chemists Design First Solar Cell Lab for Gen Chem ...

  1. NERSC-ScienceHighlightSlidesJune2010V4.pptx

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    but their structure is difficult to obtain experimentally. J. Phys. Chem. A 2010, 114, 2189-2200 Hydrogen bonds from the simulation. The key result from this work is the...

  2. Chemistry of Metal Contaminants in Water

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    See the Journal of Chemical Physics 128 124507 (2008); J. Phys. Chem. A 114 2189-2200 (2010); and Journal of Chemical Physics 132, 194502 (2010) Last edited: 2011-04-22...

  3. Brnsted Acidity in Metal-Organic Frameworks | Center for Gas...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Brnsted Acidity in Metal-Organic Frameworks Previous Next List Jiang, Juncong and Yaghi, Omar, M. Bronsted Acidity in Metal-Organic Frameworks. Chem. Rev., 115, 6966-6997 (2015)....

  4. Methane storage in advanced porous materials | Center for Gas...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Methane storage in advanced porous materials Previous Next List Trevor A. Makal, Jian-Rong Li, Weigang Lu and Hong-Cai Zhou, Chem. Soc. Rev., 2012,41, 7761-7779 DOI: 10.1039...

  5. Energy Blog | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Curiosity rover's ChemCam, which uses a laser and camera to hunt for traces of water on Mars. June 11, 2015 Zoomed-in image from the Dark Energy Camera of the barred spiral...

  6. Recent News from the National Labs | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Curiosity rover's ChemCam, which uses a laser and camera to hunt for traces of water on Mars. June 11, 2015 Zoomed-in image from the Dark Energy Camera of the barred spiral...

  7. Energy Media Advisories | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Thursday, January 6, 2011, DOE Acting Under Secretary Cathy Zoi; Argonne Lab's Director Eric Issacs; GM Ventures President, Jon Lauckner; and LG Chem Power Inc.'s Mohamed Alamgir,...

  8. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    old) that are distinctly light in color, which were analyzed by the ChemCam instrument.French and U.S. scientists observed images and chemical - 2 - results of 22 of these rock...

  9. EVG USAIX, Svergreen chalk River Liaison Office Ontario, Canada

    Office of Legacy Management (LM)

    ... lOO Qeratiox Cffice Albuquerque, N. M. IJPG U. S. Naval Proving Dahlgren, V.ti:inia Ground SBD JKrlc,l;lnd Air Base P. 0. Box 3116 Albuquerque, N. M. SEX Monsanto Chem. Co. ...

  10. Iron(IV)hydroxide pKa and the Role of Thiolate Ligation in C...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and M. Green, Science 330, 933 (2010) C. Krest, E. Onderko, T. Yosca, J. Calixto, R. Karp, J. Livada, J. Rittle, and M. Green, J. Biol. Chem. 88, 17074 (2013) Primary Citation:...

  11. Biographical sketch - Thomas Moore | Center for Bio-Inspired...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... J. Chem. (2011), 89, 152-157 "Effects of protonation state on a tyrosine-histidine bioinspired redox mediator for solar energy conversion," Moore, G. F.; Hambourger, M.; Kodis, G.; ...

  12. | Center for Bio-Inspired Solar Fuel Production

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Roy et al (2012) Photo-induced hydrogen production in a helical peptide incorporating a ... PCC 6803 works bidirectionally with a bias to H2 production, J Am Chem Soc, 133, ...

  13. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    cities having >10% of their surface submicron organic aerosol mass concentration with a marine source. The addition of MOA tracers to GEOS-Chem enabled us to identify the regions...

  14. Limnia Inc | Open Energy Information

    Open Energy Info (EERE)

    energy company providing hardware, chem ware and software solutions for solid state energy storage. References: Limnia Inc.1 This article is a stub. You can help OpenEI by...

  15. Ligand-Assisted Enhancement of CO2 Capture in Metal-Organic Frameworks...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Ligand-Assisted Enhancement of CO2 Capture in Metal-Organic Frameworks Previous Next List R. Poloni, B. Smit, and J. B. Neaton, J. Am. Chem. Soc. 134 (15), 6714 (2012) DOI:...

  16. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Space scientist tapped for French knighthood April 11, 2016 ChemCam leader honored for touching the lives of "ambitious earthlings" LOS ALAMOS, N.M., April 11, 2016-Space scientist ...

  17. EERE Success Story-Battery Cathode Developed by Argonne Powers...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Both the original and next-generation Chevrolet Volt use batteries with this technology, as well as the Ford Focus EV. In fact, LG Chem has further improved on this chemistry for ...

  18. Omar Yaghi | Center for Gas SeparationsRelevant to Clean Energy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Acidity in Metal-Organic Frameworks. Chem. Rev., 115, 6966-6997 (2015). 10.1021acs.chemrev.5b00221 Furukawa, Hiroyasu; Mller, Ulrich; and Yaghi, Omar M. "Heterogeneity...

  19. Brnsted Acidity in Metal-Organic Frameworks | Center for Gas...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    List Jiang, Juncong and Yaghi, Omar, M. Bronsted Acidity in Metal-Organic Frameworks. Chem. Rev., 115, 6966-6997 (2015). DOI: 10.1021acs.chemrev.5b00221 Bronsted Acidity in MOFs...

  20. Mars Science Laboratory on Saturday, Los Alamos National Laboratory...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    light on Mars habitability November 28, 2011 LANL ChemCam will help unravel mysteries of Red Planet's composition LOS ALAMOS, New Mexico, November 28, 2011-With the successful...

  1. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    a half-kilometer route that tell a complex story about the gradual desiccation of the Red Planet. Perhaps most notable among findings from the ChemCam team is that all of the...

  2. Microsoft PowerPoint - Lubimtsev_2013_CNMS_StaffScienceHighlight...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    C. Kent, Bobby G. Sumpter, P. Ganesh, "Understanding the Origin of High-Rate Intercalation Pseudocapacitance in Nb 2 O 5 Crystals", (2013) J. Mater. Chem. A DOI: 10.1039C3TA13316H...

  3. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Sulfur K-Edge XAS and DFT Calculations on NitrileHydratase: Geometric and Electronic Structure of the Non-heme Iron Active Site Dey, Abhishek ; Chow, Marina ; Stanford U., Chem. ...

  4. Homesteading on the Pajarito Plateau topic of inaugural lecture...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    investigator of the ChemCam team Roger Wiens. Nov. 13, 2013: Retired Los Alamos physicist John C. Hopkins reflects on his Cold War career in the weapons program. Dec. 11, 2013:...

  5. National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and principal investigator of the ChemCam team Roger Wiens. * Nov. 13, 2013: Retired Los Alamos physicist John C. Hopkins reflects on his Cold War career in the weapons program....

  6. National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    principal investigator of the ChemCam team Roger Wiens. * Nov. 13, 2013: Retired Los Alamos physicist John C. Hopkins reflects on his Cold War career in the weapons program. - 3 -...

  7. Office of Science, Basic Energy Sciences

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    R. Adzic, et al., Nature Materials 8, 325 (2009) 16 V Komanicky, H Iddir, K-C Chang, A Menzel, G Karapetrov, D Hennessy, P Zapol, H You, J. Am. Chem. Soc. 131, 5732...

  8. Eric Bloch | Center for Gas SeparationsRelevant to Clean Energy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Frameworks, Chem. Rev., 112, 724-781 (2012). 10.1021cr2003272 Bloch, Eric D; Murray, Leslie J; Queen, Wendy L; Chavan, Sachin; Maximoff, Sergey N; Bigi, Julian P;...

  9. Isomerism in Metal-Organic Frameworks: "Framework Isomers" |...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Isomerism in Metal-Organic Frameworks: "Framework Isomers" Previous Next List Trevor A. Makal, Andrey A. Yakovenko, and Hong-Cai Zhou, J. Phys. Chem. Lett., 2011, 2 (14), pp...

  10. Confinement of Metal-Organic Polyhedra in Silica Nanopores |...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Confinement of Metal-Organic Polyhedra in Silica Nanopores Previous Next List Lin-Bing Sun, Jian-Rong Li, Weigang Lu, Zhi-Yuan Gu, Zhiping Luo, and Hong-Cai Zhou, J. Am. Chem....

  11. Metal-Organic Frameworks for Separations | Center for GasSeparationsR...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Metal-Organic Frameworks for Separations Previous Next List Jian-Rong Li , Julian Sculley , and Hong-Cai Zhou, Chem. Rev., 2012, 112 (2), pp 869-932 DOI: 10.1021cr200190s Journal...

  12. Equipment Inventory | Sample Preparation Laboratories

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    21KBr Centrifuge Centrifuge SSRL BioChemMat Prep Lab 2 131 209 Saint Gobain K-104 Sanyo MIR-154 Cooled Incubator Temperature Control LCLS Sample Prep Lab 999 109 Sanyo MPR-215F...

  13. Molecular Foundry

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Nanotubes with Tunable Interiors" J. Am. Chem. Soc. 2011, 133, 15296-15299. pdf Voet, V. S. D.; Pick, T. E.; Park, S.-M.; Moritz, M.; Hammack, A. T.; Urban, J. J.;...

  14. Inspection Report: INS-O-00-01 | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Inspection Report: INS-O-00-01 November 30, 1999 Inspection of Selected issues of the Chem-Bio facility at the Oak Ridge National Laboratory The Department is seeking to increase ...

  15. 2010 Publications Resulting from the Use of NERSC Resources

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... Simulation of Methanol Decomposition on Cu(100)", J. Chem. ... Akli and R. B. Stephens, "High-intensity laser-plasma ... beyond 1GeV using ionization-induced injection, Phys. Rev. ...

  16. Silver Vanadates

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    H. Peng, J. Im, A. Freeman, N. Perry, A. Zakutayev, P. Ndione, D. Ginley, J. Perkins, Chem. Mater. 24(17), 3346-3354 (2012). (Left) Calculated density of states (DOS)....

  17. SSRLUO 1999 Executive Committee Members | Stanford Synchrotron...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Stanford CA 94305 Work: 650-723-7513 Fax: Email: trainor@pangea.stanford.edu Joe Wong Dept of Chem & Mat Science PO Box 808, L-356 Livermore CA 94551 Work:(510) 423-6385...

  18. SSRLUO 1998 Executive Committee Members | Stanford Synchrotron...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Francisco CA 94080 Ph: (415) 225-2523 Fax: (415) 225-3734 E-mail: devos@gene.com Joe Wong Dept of Chem & Mat Science PO Box 808, L-356 Livermore CA 94551 Work:(510) 423-6385...

  19. Slide 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    LiBr MSH and Brnsted acid and not by LiBr. Metal salts could potentially serve as Lewis acids for "one- pot" downstream tandem reactions. Deng et al. Ind. Eng. Chem. Res....

  20. PowerPoint Presentation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Macro-to-Micro Fluidic Interface Jebrail MJ et al., Anal Chem 86:3856 (2013). Front Back Gen-2 cDNA Synthesis Module: DMF with On-Board HeatingCooling & Evaporation Control...

  1. STANFORD SYNCHROTRON RADIATION LIGHTSOURCE LINAC COHERENT LIGHT SOURCE

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    STANFORD SYNCHROTRON RADIATION LIGHTSOURCE LINAC COHERENT LIGHT SOURCE INTERNATIONAL USER GROUP FOREIGN PRINCIPAL PARTY IN INTEREST (FPPI) / U.S. AGENT I, _______________________________on behalf of ___________________________________, (Name, Authorized Representative for Int'l User Group) (Name of Int'l User Group Organization) the Foreign Principal Party in Interest, that is subject to the jurisdiction of __________________________________ and having an office and place of business at (Name of

  2. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    sends digital 'thumbs up' August 8, 2012 Martian landing area could be a boon for scientific study LOS ALAMOS, NEW MEXICO, August 8, 2012-Members of the Mars Science Laboratory Curiosity rover ChemCam team got a digital thumbs up about the operational readiness of their instrument just hours after the rover landed on Martian soil late Sunday evening.Los Alamos National Laboratory planetary scientist Roger Wiens, Principal Investigator of the ChemCam Team, confirmed that the instrument sent word

  3. UNC EFRC - Center for Solar FuelsUNC EFRC - Center for Solar Fuels

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    5 - 27 Publications 197. Ashford, D. L.; Brennaman, M. K.; Brown, R. J.; Keinan, S.; Concepcion, J. J.; Papanikolas, J. M.; Templeton, J. L.; Meyer, T. J. Varying the Electronic Structure of Surface-Bound Ruthenium(II) Polypyridyl Complexes. Inorg. Chem. 2015, 54 (2), 460-469. LINK 198. Watson, Z.; Keinan, S.; Kanai, Y. Electronic and optical properties of polypyridylruthenium derivatized polystyrenes: multi-level computational analysis of metallo-polymeric chromophore assemblies. Phys. Chem.

  4. bia-pulse | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    4 Pulse Combustor Design Qualification Test - Project Brief [PDF-275KB] ThermoChem, Inc., Baltimore, MD PROGRAM PUBLICATIONS Final Reports Pulse Combustor Design Qualification Test and Clean Coal Feedstock Test , Final Report Volume 2: Project Performance and Economics [PDF-10.9MB] (Mar 2002) Prepared by ThermoChem, Inc. CCT Reports: Project Performance Summaries, Post-Project Assessments, & Topical Reports Pulse Combustor Design: A DOE Assessment [PDF-579KB] (July 2003) Design Reports Pulse

  5. A LANL Scientist's Dream Takes Off to Zap Rocks on Mars

    ScienceCinema (OSTI)

    Wiens, Roger

    2012-08-02

    Roger Wiens, with a team of 40 people at Los Alamos National Laboratory and the collaboration of the French space institute IRAP, created ChemCam, a laser spectrometer and telescope device aboard the Curiosity rover. ChemCam will blast rocks from as far as 7 meters, vaporize bits of their surfaces, and spectroscopically determine their chemical composition, aiding in the search for life on Mars, and making this scientist's boyhood dream a reality.

  6. LA-UR-

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Approved (or public release; distribution is unlimited. ~Alamos NATIONAL LABORATORY - - - - EST . 194J - - - Title: Calibrating the ChemCam LlBS for Carbonate Minerals on Mars Author(s): Nina Lanza Samuel M. Clegg Ann M. Ollila James E. Barefield Horton E. Newsom Roger C. Wiens and the ChemCam team Intended for: Applied Optics Los Alamos National Laboratory, an affirmative action/equal opportunity employer, is operated by the Los Alamos National Security, LLC for the National Nuclear Security

  7. RADIOLOGICAL ASSESSMENT

    Office of Legacy Management (LM)

    ASSESSMENT and STABILIZATION' SCENARIOS PARRERSBURG,'W. VA. SITE FEBRUARY 1980 M. CARSON J. COFFMAN N. MANDELTORT, ! Division of Nuclear Service Operations Chem-Nuclear\ Systems, Inc. 240 Stoneridge Dr., Suite 100 Columbia, South Carolina 29210 Prepared for AMAX Specialty Hetals Corporation One Greenwich Plaza Greenwich, Connecticut 06830 During July' 1978, Chem-Nuclear Systems, Inc. (CNSI) began an assessment program for AMAX Specialty Metals Corp."(AMAX) u to locate, quantify, and

  8. Method and apparatus for controlling supercharge pressure for a turbocharger

    SciTech Connect (OSTI)

    Abo, T.; Veno, T.

    1987-06-16

    A method for controlling supercharge pressure of a turbocharger, is described which comprises the steps of: seeking a basic control amount, BASE, from a look-up table in accordance with an intake air flow rate Qa; determining if an actual supercharge pressure P2 detected is greater than a first predetermined value of supercharge pressure; calculating the deviation P between the first predetermined supercharge pressure and the actual supercharge pressure P2, and also calculating a proportional value portion (PROP=K1 x P) where K1 is a first constant; determining if the actual supercharge pressure P2 is greater than a second predetermined value of supercharge pressure; calculating an integral value portion INT=(K2 x P + INT') when the actual supercharge pressure P2 is greater than the second predetermined value where K2 is a second constant and INT' is a value of INT resulting from a prior calculation, and setting INT to be zero when the actual supercharge pressure P2 is not greater than the second predetermined pressure; calculating a duty value OUT which is a sum of BASE, PROP and INT; and actuating an electromagnetic valve for controlling the supercharge pressure in accordance with the duty value OUT.

  9. Microstructural effects on the oxygen exchange kinetics of La{<_0.7}Sr{<_0.3}MnO{<_3} thin films.

    SciTech Connect (OSTI)

    Yan, L.; Kavaipatti, B.; Chang, K-C.; You, H.; Salvador, P.

    2011-01-01

    We investigated the relative contribution of the native surface and of the grain boundaries intersecting the surface to the chemical surface exchange of La{sub 0.7}Sr{sub 0.3}MnO{sub 3} (LSM) thin films. The chemical surface exchange coefficients, k{sub chem}, were determined using electrical conductivity relaxation (ECR). Two k{sub chem} values were obtained, indicating two surface exchange processes occurred in parallel. These two k{sub chem} values had different activation energies (Ea), which were interpreted as belonging to (1) the native surface response of individual grains/variants and (2) the variant/grain boundaries of the textured films. The first process has an activation energy of E{sub a,1} {approx} 1.57 eV, while E{sub a,2} {approx} 0.87 eV. The k{sub chem,2} values are almost 3 orders of magnitude higher than the k{sub chem,1} values at low temperatures. At higher temperatures, the data can be fit with one k{sub chem} that has an intermediate value of Ea, indicative of a transition region.

  10. The ORNL Chemical Technology Division, 1950-1994

    SciTech Connect (OSTI)

    Jolley, R.L.; Genung, R.K.; McNeese, L.E.; Mrochek, J.E.

    1994-10-01

    This document attempts to reconstruct the role played by the Chemical Technology Division (Chem Tech) of the Oak Ridge National Laboratory (ORNL) in the atomic era since the 1940`s related to the development and production of nuclear weapons and power reactors. Chem Tech`s early contributions were landmark pioneering studies. Unknown and dimly perceived problems like chemical hazards, radioactivity, and criticality had to be dealt with. New chemical concepts and processes had to be developed to test the new theories being developed by physicists. New engineering concepts had to be developed and demonstrated in order to build facilities and equipment that had never before been attempted. Chem Tech`s role was chemical separations, especially uranium and plutonium, and nuclear fuel reprocessing. With diversification of national and ORNL missions, Chem Tech undertook R&D studies in many areas including biotechnology; clinical and environmental chemistry; nuclear reactors; safety regulations; effective and safe waste management and disposal; computer modeling and informational databases; isotope production; and environmental control. The changing mission of Chem Tech are encapsulated in the evolving activities.

  11. Cell Simulation Package for Reactions and Diffusion

    Energy Science and Technology Software Center (OSTI)

    2005-04-01

    ChemCell is a simulation package designed for modeling signalling, regulatory, and metabolic pathways in biological cells. It reads input flies that describe the geomeby of the cell and positions of particles that represent proteins, protein complexes, and other bio-molecules. It also reads in lists of reactions and associated rates and other boundary condition information. ChemCell then models the reaction and diffusion of these particles within the cellular geometry as they interact overtime. It produces statisticalmore » information about the state of the cell, as well as snapshots of the reaction network. We anticipate ChemCell will be useful to researchers who wish to perform spatio-temporal modeling of cellular processes and who wish to develop new models or algorithms to add to the code. Thus ChemCell is also designed to be easy to modify and extend. The ChemCell package includes auxiliary codes for setting up problems and analyzing output.« less

  12. J.L. Raaf, University of Cincinnati

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    NuInt '04 18 March 2004 n/p ν µ ν µ π 0 → γγ n/p ¡ ¢ £¤ ¥¦ § ¢ ¤ ¤ ¡ ¨ £ π 0 © ¨ £ ¡ ¤ ¥  £  ¨  ¥ £   ¨       MiniBooNE  NC π 0 cross section measurements and predictions  Data/NUANCE/NEUGEN/NEUT comparisons NuInt '04 Jennifer L. Raaf University of Cincinnati J.L. Raaf, University of Cincinnati NuInt '04 18 March 2004    !  " #$ % & " ' " ( '  ) 0 8

  13. Electronic structure of cation-codoped TiO{sub 2} for visible-light photocatalyst applications from hybrid density functional theory calculations

    SciTech Connect (OSTI)

    Long, Run; English, Niall J.

    2011-04-04

    The electronic structures of Mg/Ca- and/or Mo/W- (mono- and co-) doped anatase TiO{sub 2} have been investigated via generalized Kohn-Sham theory with the Heyd-Scuseria-Ernzerhof hybrid functional for exchange-correlation (J. Heyd et al., [J. Chem. Phys. 118, 8207 (2003)], J. Heyd et al., [J. Chem. Phys. 124, 219906 (2006)], and J. Paier et al., [J. Chem. Phys. 125, 249901 (2006)]), in the context of density functional theory. Gap narrowing is small for monodoping, which also creates impuritiy bands in the ''forbidden gap,'' either as acceptor or donor states, limiting possible utility as visible-light photocatalysts. However, codoping of Mg/Ca and Mo/W not only induces appreciable gap narrowing, but also serves to passivate the impurity bands, which can harvest visible-light to a greater extent. Considering ionic radii, Mg and Mo should constitute the best cation-pair.

  14. 2010-2011 Working Groups website

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    2010---2011 Inorganic P V Sept. 2 7 MSE c onf. r oom - 3 062A D ow Jamie P hillips l eading Oct. 1 8 POD r oom - 3 158 D ow Simon H uang ( Goldman) p resenting Nov. 1 ChemE C onf. r oom - 3 074 D ow Sung J oo ( Pan) p resenting Nov. 1 5 ChemE C onf. r oom - 3 074 D ow Andy M artin ( Mirecki---Millunchick) p resenting Dec. 1 3 ChemE C onf. r oom - 3 074 D ow Larry A agesen ( Thornton) p resenting Feb. 1 3062A Dow ( MSE c onf), 9 :30am Jamie P hillip's g roup p resenting Feb. 2 2 3158 D ow ( POD r

  15. Chemical Technology Division progress report for the period April 1, 1985 to December 31, 1986

    SciTech Connect (OSTI)

    Not Available

    1987-08-01

    This progress report summarizes the research and development efforts conducted in the Chemical Technology Division (Chem Tech) during the period April 1, 1985, through December 31, 1986. The following major areas are covered in the discussion: nuclear and chemical waste management, environmental control technology, basic science and technology, biotechnology research, transuranium-element processing, Nuclear Regulatory Commission programs, radioactive materials production, computer/engineering applications, fission energy, environmental cleanup projects, and various other work activities. As an appendix, the Administrative Summary presents a comprehensive compilation of publications, oral presentations, awards and recognitions, and patents of Chem Tech staff members during this report period. An organization chart, a staffing level and financial summary, and lists of seminars and Chem Tech consultants for the period are also included to provide additional information. 78 figs., 40 tabs.

  16. UNC EFRC - Center for Solar FuelsUNC EFRC - Center for Solar Fuels

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    0 - 19 Publications 1. Xie, Z.; Ma, L.; deKrafft, K. E.; Jin, A.; Lin, W. Porous Phosphorescent Coordination Polymers for Oxygen Sensing. J. Am. Chem. Soc. 2010, 132 (3), 922-923. LINK 2. Concepcion, J. J.; Jurss, J. W.; Norris, M. R.; Chen, Z.; Templeton, J. L.; Meyer, T. J. Catalytic Water Oxidation by Single-Site Ruthenium Catalysts. Inorg. Chem. 2010, 49 (4), 1277-1279.LINK 3. Concepcion, J. J.; Tsai, M. K.; Muckerman, J. T.; Meyer, T. J. Mechanism of Water Oxidation by Single-Site Ruthenium

  17. UNC EFRC - Center for Solar FuelsUNC EFRC - Center for Solar Fuels

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    4 - 40 Publications 157. Chen, Z.; Kang, P.; Zhang, M. T.; Meyer, T. J. Making syngas electrocatalytically using a polypyridyl ruthenium catalyst. Chem. Commun. 2014, 50 (3), 335-337. LINK 158. Chen, Z.; Grumstrup, E. M.; Gilligan, A. T.; Papanikolas, J. M.; Schanze, K. S. Light-Harvesting Polymers: Ultrafast Energy Transfer in Polystyrene-Based Arrays of -Conjugated Chromophores. J. Phys. Chem. B 2014, 118 (1), 372-378. LINK 159. Zhang, S.; Kang, P.; Meyer, T. J. Nanostructured Tin Catalysts

  18. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    sets its sights on first martian target August 17, 2012 Rock zapper ready after beaming back images of calibration targets LOS ALAMOS, New Mexico, August 17, 2012-Members of the Mars Science Laboratory Curiosity rover ChemCam team have received the first photos from the instrument's remote micro imager. The successful capture of ChemCam's first 10 photos sets the stage for the first test bursts of the instrument's rock-zapping laser in the near future. "The successful delivery of these

  19. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Space scientist tapped for French knighthood April 11, 2016 ChemCam leader honored for touching the lives of "ambitious earthlings" LOS ALAMOS, N.M., April 11, 2016-Space scientist Roger Wiens was awarded the honorary title of chevalier (knight) in France's Academic Order of Palms for his work in forging strong ties between the French and American scientific communities. Wiens is the principal investigator of the ChemCam, a laser spectroscopy instrument on NASA's Mars Curiosity rover

  20. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    all-women's operations day June 30, 2014 Curiosity Rover celebrates one year on Red Planet The Mars Curiosity Rover celebrated one year on the Red Planet last week, and to commemorate the event, LANL ChemCam team members had an all-women operations day at the instrument Operations Center in downtown Los Alamos. The ChemCam instrument was developed by Laboratory researchers and is one of 10 instruments aboard the Rover, which is investigating the habitability of Mars. During its mission so far,

  1. In the OSTI Collections: Keeping Power Grids Stable | OSTI, US Dept of

    Office of Scientific and Technical Information (OSTI)

    Energy, Office of Scientific and Technical Information Keeping Power Grids Stable (plus, an update on the Mars Science Laboratory "Curiosity" and its ChemCam) The Relation of Grid Stability to the "Smart Grid" Concept Update: the Mars Science Laboratory's ChemCam References Additional References Research Organizations Reports Available through OSTI's SciTech Connect Figure 1. The Continental U.S. power transmission grid consists of about 300,000 km of lines operated by

  2. Faces of Science: Roger Wiens

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Roger Wiens March 4, 2015 Wiens' passion for space has no limits At nine years old, Roger Wiens built a telescope to sketch the features of Mars. 1:23 Faces of Science: Roger Wiens - 2 - Forty years later he returned to the Red Planet, this time as part of a team that invented ChemCam, a device aboard the rover Curiosity. Using a laser that packs the energy of a million light bulbs into a spot the size of a pinhead, ChemCam blasts pieces of Martian rock in search of elements like carbon and

  3. Seawater Chemistry Package

    Energy Science and Technology Software Center (OSTI)

    2005-11-23

    SeaChem Seawater Chemistry package provides routines to calculate pH, carbonate chemistry, density, and other quantities for seawater, based on the latest community standards. The chemistry is adapted from fortran routines provided by the OCMIP3/NOCES project, details of which are available at http://www.ipsl.jussieu.fr/OCMIP/. The SeaChem package can generate Fortran subroutines as well as Python wrappers for those routines. Thus the same code can be used by Python or Fortran analysis packages and Fortran ocean models alike.

  4. Relativistic theory of nuclear spin-rotation tensor with kinetically balanced rotational London orbitals

    SciTech Connect (OSTI)

    Xiao, Yunlong; Zhang, Yong; Liu, Wenjian

    2014-10-28

    Both kinetically balanced (KB) and kinetically unbalanced (KU) rotational London orbitals (RLO) are proposed to resolve the slow basis set convergence in relativistic calculations of nuclear spin-rotation (NSR) coupling tensors of molecules containing heavy elements [Y. Xiao and W. Liu, J. Chem. Phys. 138, 134104 (2013)]. While they perform rather similarly, the KB-RLO Ansatz is clearly preferred as it ensures the correct nonrelativistic limit even with a finite basis. Moreover, it gives rise to the same direct relativistic mapping between nuclear magnetic resonance shielding and NSR coupling tensors as that without using the London orbitals [Y. Xiao, Y. Zhang, and W. Liu, J. Chem. Theory Comput. 10, 600 (2014)].

  5. June

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    June /newsroom/_assets/images/newsroom-icon.jpg June We are your source for reliable, up-to-date news and information; our scientists and engineers can provide technical insights on our innovations for a secure nation. Pictured from left to right are Cindy Little, Agnes Cousin, Nina Lanza, Dot Delapp and Hannah Pagel. ChemCam all-women's operations day The Mars Curiosity Rover celebrated one year on the Red Planet, and to commemorate the event, ChemCam team members had an all-women operations

  6. LOS ALAMOS, New Mexico, August 6, 2012-Los Alamos National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    instrument arrives on Red Planet's surface August 6, 2012 LANL ChemCam to be tested soon and will begin probing Mars mysteries LOS ALAMOS, New Mexico, August 6, 2012-Los Alamos National Laboratory scientists are elated by Sunday's successful landing of NASA's Curiosity rover on Mars, and are ready to begin a nearly two-year-long mission that will use a rock-zapping laser device mounted on the mast of the SUV-sized rover to help unravel mysteries of the Red Planet. The ChemCam laser

  7. Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making

    DOE Patents [OSTI]

    Gakh, Andrei A.; Vovk, Mykhaylo V.; Mel'nychenko, Nina V.; Sukach, Volodymyr A.

    2012-08-14

    The present disclosure relates to novel compounds having the structural Formulas (1a,1b), stereoisomers, tautomers, racemics, prodrugs, metabolites thereof, or pharmaceutically acceptable salt and/or solvate thereof as chemotherapy agents for treating of cancer, particularly androgen-independent prostate cancer. The disclosure also relates to methods for preparing said compounds, and to pharmaceutical compositions comprising said compounds. CHEM-US-00001" num="00001">embedded imagechem" img-format="tif"/>

  8. High-tech tool predicts fire behavior in bark beetle-ravaged forests

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Better computer models High-tech tool predicts fire behavior in bark beetle-ravaged forests A high-tech computer model called HIGRAD/FIRETEC provides insights that are essential for front-line fire fighters. August 9, 2012 Researchers from LANL and the French Space Agency examine data from the Mars Science Laboratory Curiosity rover from inside the ChemCam Operations Center at NASA's Jet Propulsion Laboratory on Monday, Aug. 6, 2012, less than a day after the rover landed on Mars. The ChemCam

  9. Conference

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    data abundant at Planetary Conference March 15, 2013 Laser instrument aboard Curiosity rover provides well over 40,000 shots so far LOS ALAMOS, N. M., March 15, 2013-Members of the Mars Science Laboratory Curiosity rover ChemCam team will present more than two dozen posters and talks next week during the 44th Lunar and Planetary Science Conference in The Woodlands, Texas. "ChemCam has performed flawlessly in its first six months, providing more than a gigabyte of exciting new information

  10. Time and motion study for alternative mixed low-level waste treatment systems

    SciTech Connect (OSTI)

    Biagi, C.; Vetromile, J.; Teheranian, B.

    1997-02-01

    The time and motion study was developed to look at time-related aspects of the technologies and systems studied in the Integrated Thermal Treatment Systems (ITTS) and Integrated Nonthermal Treatment Systems (INTS) studies. The INTS and ITTS studies combined technologies into systems and subsystems for evaluation. The system approach provides DOE a method of measuring advantages and disadvantages of the many technologies currently being researched. For example, technologies which are more likely to create secondary waste or require extensive pretreatment handling may be less desirable than technologies which require less support from other processes. The time and motion study was designed to address the time element in the INTS and ITTS systems studies. Previous studies have focused on material balance, cost, technical effectiveness, regulatory issues, community acceptance, and operability. This study looks at system dynamics by estimating the treatment time required for a unit of waste, from receipt to certification for shipping. Labor estimates are also developed, based on the time required to do each task for each process. This focus on time highlights critical path processes and potential bottlenecks in the INTS and ITTS systems.

  11. Slide 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    IU Iso lat ed Un it RO D Re co rd of De cis ion TS D Tre atm en t, Sto rag e, Dis po sa l K A re a K Ea st Ba sin De mo lish ed Int eri m Sa fe Sto rag e of K Ea st ...

  12. THRESHOLD FOR EXTENDED EMISSION IN SHORT GAMMA-RAY BURSTS

    SciTech Connect (OSTI)

    Norris, Jay P.; Gehrels, Neil

    2010-07-01

    The initial pulse complex (IPC) in short gamma-ray bursts is sometimes accompanied by a softer, low-intensity extended emission (EE) component. In cases where such a component is not observed, it is not clear if it is present but below the detection threshold. Using Bayesian Block (BB) methods, we measure the EE component and show that it is present in one-quarter of a Swift/BAT sample of 51 short bursts, as was found for the Compton/BATSE sample. We simulate bursts with EE to calibrate the BAT threshold for EE detection and show that this component would have been detected in nearly half of BAT short bursts if it were present, to intensities {approx}10{sup -2} counts cm{sup -2} s{sup -1}, a factor of 5 lower than actually observed in short bursts. In the BAT sample, the ratio of average EE intensity to IPC peak intensity, R{sub int}, ranges over a factor of 25, R{sub int} {approx} 3 x 10{sup -3} to 8 x 10{sup -2}. In comparison, for the average of the 39 bursts without an EE component, the 2{sigma} upper limit is R{sub int} < 8 x 10{sup -4}. These results suggest that a physical threshold effect operates near R{sub int} {approx} few x 10{sup -3} below which the EE component is not manifest.

  13. Speech of italian ambassador

    ScienceCinema (OSTI)

    None

    2011-04-25

    L'ambassadeur italien (nom?)fait un discours sur l'aspect de la recherche au Cern, une organisation internationale qui a comme but la connaissance dans sa forme la plus pure et libre d'un intérêt planétaire. Il remet un prix au DG C.Rubbia qui lui remercie en français

  14. Slide 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    no t re fle ct all wo rk IU Iso lat ed Un it RO D Re co rd of De cis ion TS D Tre atm en t, Sto rag e, Dis po sa l K A re a K Ea st Ba sin De mo lish ed Int eri m Sa...

  15. TECHNOLOGY VISION 2020: The U.S. Chemical Industry | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    TECHNOLOGY VISION 2020: The U.S. Chemical Industry TECHNOLOGY VISION 2020: The U.S. Chemical Industry PDF icon chem_vision.pdf More Documents & Publications ITP Chemicals: Technology Roadmap for Computational Chemistry Manufacturing Innovation Multi-Topic Workshop Report Process Intensification Workshop - September 29-30, 2015

  16. Slide 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    the end of delithiation Linda Y. Lim et. al., submitted to Chem. Mater. BL 11-3: Watching Batteries In-operando 2 mm 2 mm 2 mm 2 mm 2 mm 0.4 mms 1.6 mms 2.8 mms 4 mms 8 mms...

  17. A combustion model for IC engine combustion simulations with multi-component fuels

    SciTech Connect (OSTI)

    Ra, Youngchul; Reitz, Rolf D.

    2011-01-15

    Reduced chemical kinetic mechanisms for the oxidation of representative surrogate components of a typical multi-component automotive fuel have been developed and applied to model internal combustion engines. Starting from an existing reduced mechanism for primary reference fuel (PRF) oxidation, further improvement was made by including additional reactions and by optimizing reaction rate constants of selected reactions. Using a similar approach to that used to develop the reduced PRF mechanism, reduced mechanisms for the oxidation of n-tetradecane, toluene, cyclohexane, dimethyl ether (DME), ethanol, and methyl butanoate (MB) were built and combined with the PRF mechanism to form a multi-surrogate fuel chemistry (MultiChem) mechanism. The final version of the MultiChem mechanism consists of 113 species and 487 reactions. Validation of the present MultiChem mechanism was performed with ignition delay time measurements from shock tube tests and predictions by comprehensive mechanisms available in the literature. A combustion model was developed to simulate engine combustion with multi-component fuels using the present MultiChem mechanism, and the model was applied to simulate HCCI and DI engine combustion. The results show that the present multi-component combustion model gives reliable performance for combustion predictions, as well as computational efficiency improvements through the use of reduced mechanism for multi-dimensional CFD simulations. (author)

  18. Vehicle Technologies Office Merit Review 2013: A High-Performance PHEV Battery Pack

    Broader source: Energy.gov [DOE]

    Presentation given by LG Chem at 2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting about a high-performance battery pack the company is researching for plug-in electric vehicles.

  19. Final Environmental Impact Statement

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... - w Z C c w z orB w m 1 a a < a W I < J( z l APPENDIX A HERBICIDE BACKGROUND STATEMENTS T ... a t ement s conc e r n i ng the chem i c a l and phy s i c a l p r op e rt i e s , e f f ...

  20. Durability of NOx Absorbers | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    2 DEER Conference Presentation: EmeraChem LLC PDF icon 2002_deer_parks.pdf More Documents & Publications Cleaner Vehicles, Cleaner Fuel & Cleaner Air APBF-DEC Heavy Duty NOx Adsorber/DPF Project: Heavy Duty Linehaul Platform Project Update LNT + SCR Aftertreatment for Medium-Heavy Duty Applications: A Systems Approach

  1. Kinetics for Tautomerizations and Dissociations of Triglycine Radical Cations

    SciTech Connect (OSTI)

    Siu, Chi-Kit; Zhao, Junfang; Laskin, Julia; Chu, Ivan K.; Hopkinson, Alan C.; Siu , K W Michael

    2009-06-01

    Fragmentations of tautomers of the α-centered radical triglycine radical cation, [GGG*]+, [GG*G]+, and [G*GG]+, are charge-driven, giving b-type ions; these are processes that are facilitated by a mobile proton, as in the fragmentation of protonated triglycine (Rodriquez, C.F. et al. J. Am. Chem. Soc. 2001, 123, 3006 - 3012). By contrast, radical centers are less mobile. Two mechanisms have been examined theoretically utilizing density functional theory and Rice-Ramsperger-Kassel-Marcus modeling: (1) a direct hydrogen-atom migration between two α-carbons, and (2) a two-step proton migration involving a canonical [GGG]*+ as an intermediate. Predictions employing the latter mechanism are in good agreement with results of recent CID experiments (Chu, I.K. et al. J. Am. Chem. Soc. 2008, 130, 7862 - 7872).

  2. Modeling theta-theta Interactions with the Effective Fragment Potential Method: The Benzene Dimer and Substituents

    SciTech Connect (OSTI)

    Toni Smithl; Lyudmila V. Slipchenko; Mark S. Gordon

    2008-02-27

    This study compares the results of the general effective fragment potential (EFP2) method to the results of a previous combined coupled cluster with single, double, and perturbative triple excitations [CCSD(T)] and symmetry-adapted perturbation theory (SAPT) study [Sinnokrot and Sherrill, J. Am. Chem. Soc., 2004, 126, 7690] on substituent effects in {pi}-{pi} interactions. EFP2 is found to accurately model the binding energies of the benzene-benzene, benzene-phenol, benzene-toluene, benzene-fluorobenzene, and benzene-benzonitrile dimers, as compared with high-level methods [Sinnokrot and Sherrill, J. Am. Chem. Soc., 2004, 126, 7690], but at a fraction of the computational cost of CCSD(T). In addition, an EFP-based Monte Carlo/simulated annealing study was undertaken to examine the potential energy surface of the substituted dimers.

  3. View and download all Security Smarts for your safety and security meetings

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and download all Security Smarts for your safety and security meetings http://int.lanl.gov/security/documents/index.shtml#security-smarts Note: Security Smarts are current as of the date of publication. SecuritySmart Proof of United States Citizenship for the Badge Offce The Badge Offce is required by law to verify US citizenship. The following lists the acceptable documents that individuals can bring to the Badge Offce. Native-born US Citizens Primary Evidence For an individual born in the

  4. United States Industrial Motor Systems Market Opportunities Assessment:

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Executive Summary | Department of Energy Motor Systems Market Opportunities Assessment: Executive Summary United States Industrial Motor Systems Market Opportunities Assessment: Executive Summary In addition to serving DOE's program planning and evaluation needs, the Motor Systems Market Assessment is designed to be of value to manufacturers, distributors, engineers, and others int he supply channels for motor systems. PDF icon United States Industrial Motor Systems Market Opportunities

  5. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    03-09) SECTION II GENERAL PROVISIONS FOR INTERNATIONAL COMMERCIAL TRANSACTIONS THE FOLLOWING CLAUSES APPLY TO THIS CONTRACT AS INDICATED UNLESS SPECIFICALLY DELETED, OR EXCEPT TO THE EXTENT THEY ARE SPECIFICALLY SUPPLEMENTED OR AMENDED IN WRITING IN THE SIGNATURE PAGE OR SECTION I OF THIS CONTRACT. INT01 ACCEPTANCE OF TERMS AND CONDITIONS This Contract integrates, merges, and supersedes any prior offers, negotiations, and agreements concerning the subject matter hereof and constitutes the entire

  6. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    10-03) SECTION II GENERAL PROVISIONS FOR INTERNATIONAL COMMERCIAL TRANSACTIONS THE FOLLOWING CLAUSES APPLY TO THIS CONTRACT AS INDICATED UNLESS SPECIFICALLY DELETED, OR EXCEPT TO THE EXTENT THEY ARE SPECIFICALLY SUPPLEMENTED OR AMENDED IN WRITING IN THE SIGNATURE PAGE OR SECTION I OF THIS CONTRACT. INT01 ACCEPTANCE OF TERMS AND CONDITIONS This Contract integrates, merges, and supersedes any prior offers, negotiations, and agreements concerning the subject matter hereof and constitutes the entire

  7. Measuring n-N Deep Inelastic Cross Sections at MiniBooNE

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    + Cross Section Results from MiniBooNE Mike Wilking TRIUMF / University of Colorado NuInt 22 May 2009 CCπ + in Oscillation Experiments  The next generation of ν oscillation experiments lie at low, mostly unexplored ν energies  CCQE is the signal process for oscillation measurements  At these energies, CCπ + is the dominant charged-current background T2K NOνA CCπ + CCQE DIS Charged Current Cross Sections Previous CCπ + Measurements  The plot shows previous absolute cross

  8. Infrastructure Security

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ExcEptional sErvicE in thE national intErEst Investigating Containment Integrity Sandia is a nationally and internationally recognized leader in Nuclear Reactor containment research, supporting operations, lifetime extensions, and security and vulnerability assessments over a broad range of phenomena. Sandia's expertise includes evaluation of containment when subjected to high velocity impacts, enormous pressures and stresses, and attacks by saboteurs. Sandia's resources enable the completion of

  9. Flexible feature interface for multimedia sources

    DOE Patents [OSTI]

    Coffland, Douglas R.

    2009-06-09

    A flexible feature interface for multimedia sources system that includes a single interface for the addition of features and functions to multimedia sources and for accessing those features and functions from remote hosts. The interface utilizes the export statement: export "C" D11Export void FunctionName(int argc, char ** argv,char * result, SecureSession *ctrl) or the binary equivalent of the export statement.

  10. Initial Operation of the uTCAP using H2 and D2

    Office of Environmental Management (EM)

    Pipeline Research Council International, Inc. DOE Natural Gas Infrastructure R&D and Methane Emissions Mitigation Workshop -Industry Research for Pipeline Systems Panel Mike Whelan Director, Research Operations November 12, 2014 2 www.prci.org Pipeline Research Council Int'l. Overview  Founded in 1952 - Current Membership  39 Pipelines, over 350,000 miles of transmission pipe * Natural Gas and Hazardous Liquids Pipelines * 27 members are North American based - Remainder: Europe,

  11. A Tale of 2 Missions (And Hopefully 2 Different Landings)

    SciTech Connect (OSTI)

    Wiens, Roger C.

    2012-07-19

    This talk, to be given at the LANL IGPP Annual Review dinner in Santa Fe, NM on July 17, 2012, highlights two important NASA missions LANL played a key role in: The Genesis mission was the first to return to Earth from beyond the Moon, bearing solar particles to help understand the composition of the Sun; and Curiosity, a 1-ton Mars rover launched to the red planet in 2011 with a suite of instruments from LANL called ChemCam.

  12. NASA agreements advance Mars exploration, Los Alamos Rover instrument a key

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    component NASA agreements advance Mars exploration NASA agreements advance Mars exploration, Los Alamos Rover instrument a key component Los Alamos National Laboratory is coordinating with the French science and engineering team on developing SuperCam. June 17, 2015 SuperCam builds upon the successful capabilities demonstrated by ChemCam aboard the Curiosity Rover during NASA's current Mars Mission. SuperCam will allow researchers to sample rocks and other targets from a distance using a

  13. UNC EFRC - Center for Solar FuelsUNC EFRC - Center for Solar Fuels

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    2 - 50 Publications 57. Polizzi, N. F.; Skourtis, S. S.; Beratan, D. N. Physical constraints on charge transport through bacterial nanowires. Faraday Discuss. 2012, 155, 43-62. LINK 58. Puodziukynaite, E.; Oberst, J. L.; Dyer, A. L.; Reynolds, J. R. Establishing Dual Electrogenerated Chemiluminescence and Multicolor Electrochromism in Functional Ionic Transition-Metal Complexes. J. Am. Chem. Soc. 2012, 134 (2), 968-978. LINK 59. Jurss, J. W.; Concepcion, J. J.; Butler, J. M.; Omberg, K. M.;

  14. In the OSTI Collections: Department of Energy R&D for the Mars Science

    Office of Scientific and Technical Information (OSTI)

    Laboratory | OSTI, US Dept of Energy, Office of Scientific and Technical Information In the OSTI Collections: Department of Energy R&D for the Mars Science Laboratory Some key technology for the Mars Science Laboratory "Curiosity" was developed by U. S. Department of Energy laboratories-especially the Multi-Mission Radioisotope Thermoelectric Generator ("MMRTG") that keeps Curiosity functioning on Mars, and the Chemistry Camera ("ChemCam") designed to

  15. Faces of Science: Rashi Iyer

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Rashi Iyer March 4, 2015 Rashi Iyer develops multiple new scientific focus areas keeping the environment, our non-human cohabitants and the national mission in perspective. Her efforts have been primarily dedicated to reducing the use of animals for research by developing the next generation of bioassessment platforms to understand and mitigate the toxic effects of radiation, chem-bio threats and engineered nanomaterials. Most recently, Iyer is working with the Defense Threat Reduction Agency to

  16. Omar Yaghi | Center for Gas SeparationsRelevant to Clean Energy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Technologies | Blandine Jerome Omar Yaghi Previous Next List Omar Yaghi Omar Yaghi Professor of Chemistry, University of California, Berkeley Email: yaghi [at] berkeley.edu Phone: 510-643-5507 EFRC research: Within the CGS, the Yaghi group is developing novel synthesis strategies for MOFs EFRC publications: Jiang, Juncong; Zhao, Yingbo; and Yaghi, Omar M. Covalent Chemistry beyond Molecules. J. Amer. Chem. Soc., 138, 3255-3265 (2016). [10.1021/jacs.5b10666] Siman, Peter; Trickett,

  17. Piezofluorochromic Metal-Organic Framework: A Microscissor Lift | Center

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Piezofluorochromic Metal-Organic Framework: A Microscissor Lift Previous Next List Zhang, Qiang; Su, Jie; Feng, Dawei; Wei, Zhangwen; Zou, Xiaodong; Zhou, Hong-Cai. Piezofluorochromic Metal-Organic Framework: A Microscissor Lift. J. Amer. Chem. Soc., 137, 10064-10067 (2015). DOI: 10.1021/jacs.5b04695 piezofluochromic Abstract: We have successfully constructed a metal-organic framework, denoted as PCN-128W, starting

  18. Predicting Local Transport Coefficients at Solid-Gas Interfaces | Center

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Local Transport Coefficients at Solid-Gas Interfaces Previous Next List Nils E. R. Zimmermann, Berend Smit, and Frerich J. Keil, J. Phys. Chem. C 2012, 116, 18878-18883 DOI: 10.1021/jp3059855 Abstract Image Abstract: The regular nanoporous structure make zeolite membranes attractive candidates for separating molecules on the basis of differences in transport rates (diffusion). Since improvements in synthesis have led

  19. Processable Cyclic Peptide Nanotubes with Tunable Interiors | Center for

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Processable Cyclic Peptide Nanotubes with Tunable Interiors Previous Next List Rami Hourani, Chen Zhang, Rob van der Weegen, Luis Ruiz, Changyi Li, Sinan Keten, Brett A. Helms, and Ting Xu, J. Am. Chem. Soc., 2011, 133 (39), pp 15296-15299 DOI: 10.1021/ja2063082 Abstract Image Abstract: A facile route to generate cyclic peptide nanotubes with tunable interiors is presented. By incorporating 3-amino-2-methylbenzoic acid in

  20. Protein Immobilization in Metal-Organic Frameworks by Covalent Binding |

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Protein Immobilization in Metal-Organic Frameworks by Covalent Binding Previous Next List Xuan Wang, Trevor A. Makal and Hong-Cai Zhou, Aust. J. Chem. 67, 1629-1631 (2014) DOI: 10.1071/CH14104 CH14104_TOC Abstract: Metal-organic frameworks (MOFs), possessing a well defined system of pores, demonstrate extensive potential serving as a platform in biological catalysis. Successful immobilization of enzymes in a

  1. Publications | Center for Gas SeparationsRelevant to Clean Energy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Technologies | Blandine Jerome Publications Previous Next List Statistics on the EFRC publications can be found on ReseacherID 2016 2016 Size-Controlled Synthesis of Porphyrinic Metal-Organic Framework and Functionalization for Targeted Photodynamic Therapy Size-Controlled Synthesis of Porphyrinic Metal-Organic Framework and Functionalization for Targeted Photodynamic Therapy Jiang, Juncong; Zhao, Yingbo; and Yaghi, Omar M. Covalent Chemistry beyond Molecules. J. Amer. Chem. Soc., 138,

  2. Pyrazolate-Based Porphyrinic Metal-Organic Framework with Extraordinary

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Base-Resistance | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Pyrazolate-Based Porphyrinic Metal-Organic Framework with Extraordinary Base-Resistance Previous Next List Wang, Kecheng; Lv, Xiu-Liang; Feng, Dawei; Li, Jian; Chen, Shuangming; Sun, Junliang; Song, Li; Xie, Yabo; Li, Jian-Rong; and Zhou, Hong-Cai. Pyrazolate-Based Porphyrinic Metal-Organic Framework with Extraordinary Base-Resistance. J. Amer. Chem. Soc., 138, 914-919 (2016). DOI:

  3. Reversible Switching from Antiferro- to Ferromagnetic Behavior by

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System Previous Next List Mario Wriedt, Andrey A. Yakovenko, Gregory J. Halder, Andrey V. Prosvirin, Kim R. Dunbar, and Hong-Cai Zhou, J. Am. Chem.

  4. Sequential Linker Installation: Precise Placement of Functional Groups in

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Multivariate Metal-Organic Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Sequential Linker Installation: Precise Placement of Functional Groups in Multivariate Metal-Organic Frameworks Previous Next List Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai, J. Am. Chem. Soc., 137, 3177-3180 (2015) DOI: 10.1021/ja512762r sequential linker installation Abstract: A unique

  5. Small Molecule Adsorption in Open-Site Metal-Organic Frameworks: A

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Systematic Density Functional Theory Study for Rational Design | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Small Molecule Adsorption in Open-Site Metal-Organic Frameworks: A Systematic Density Functional Theory Study for Rational Design Previous Next List Kyuho Lee, Joshua D. Howe, Li-Chiang Lin, Berend Smit, and Jeffrey B. Neaton, Chem. Mater. 27, 668-678 (2015) DOI: 10.1021/cm502760q Abstract: Using density functional theory, we systematically

  6. Structure-Assisted Functional Anchor Implantation in Robust Metal-Organic

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Frameworks with Ultralarge Pores | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Structure-Assisted Functional Anchor Implantation in Robust Metal-Organic Frameworks with Ultralarge Pores Previous Next List Jihye Park , Dawei Feng , and Hong-Cai Zhou, J. Am. Chem. Soc. 137, 1663-1672 (2015) DOI: 10.1021/ja5123528 ja-2014-123528_0006 Abstract: A facile functionalization assisted by the structural attributes of PCN-333 has been studied while maintaining the

  7. Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Imidazolate Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic Imidazolate Frameworks Previous Next List Anh Phan, Christian J. Doonan, Fernando J. Uribe-Romo, Carolyn B. Knobler, Michael O'Keeffe and Omar M. Yaghi, Acc. Chem. Res., 2010, 43 (1), pp 58-67 DOI: 10.1021/ar900116g Abstract Zeolites are one of humanity's most important synthetic products. These

  8. Systematic Tuning and Multifunctionalization of Covalent Organic Polymers

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    for Enhanced Carbon Capture | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Systematic Tuning and Multifunctionalization of Covalent Organic Polymers for Enhanced Carbon Capture Previous Next List Xiang, Zhonghua; Mercado, Rocio; Huck, Johanna M.; Wang, Hui; Guo, Zhanhu; Wang, Wenchuan; Cao, Dapeng; Haranczyk, Maciej; and Smit, Berend. Systematic Tuning and Multifunctionalization of Covalent Organic Polymers for Enhanced Carbon Capture. J. Amer. Chem.

  9. Toward a Materials Genome Approach for Ionic Liquids: Synthesis Guided by

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Ab Initio Property Maps | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Toward a Materials Genome Approach for Ionic Liquids: Synthesis Guided by Ab Initio Property Maps Previous Next List Fangyong Yan, Michael Lartey, Kuldeep Jariwala, Sage Bowser, Krishnan Damodaran, Erik Albenze, David R. Luebke, Hunaid B. Nulwala, Berend Smit, and Maciej Haranczyk, J. Phys. Chem. B, 118, 13609-13620 (2014) DOI: 10.1021/jp506972w jp-2014-06972w_0013 Abstract: The

  10. Nanoscale dynamics and aging of fibrous peptide-based gels (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Nanoscale dynamics and aging of fibrous peptide-based gels Citation Details In-Document Search Title: Nanoscale dynamics and aging of fibrous peptide-based gels Authors: Dudukovic, Nikola A. ; Zukoski, Charles F. [1] ; UIUC) [2] + Show Author Affiliations (Buffalo) ( Publication Date: 2014-10-28 OSTI Identifier: 1163382 Resource Type: Journal Article Resource Relation: Journal Name: J. Chem. Phys.; Journal Volume: 141; Journal Issue: (16) ; 10, 2014 Research Org:

  11. American Recovery & Reinvestment Act Newsletter - Issue 13

    Office of Environmental Management (EM)

    Recovery and Reinvestment Act Newsletter d Volume 2, No. 3 d March 2010 Fusion Researchers Gather to Say Goodbye to Pioneering Facility TSTA building saw early advances in nuclear fusion  Fusion Researchers Gather to Say Goodbye to Pioneering Facility ...1  Offi cials Brief Stakeholders on Progress .......................................2  Paul Bellesen is Thrilled to Trade Sun for Dirt ..................................3  'Chem Plant' Decontamination and Decommissioning

  12. Biomedical devices from ultraviolet LEDs

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Biomedical devices from ultraviolet LEDs Light-emitting nanocrystal diodes go ultraviolet Biomedical devices with active components could be made from nanostructured systems. February 24, 2012 Researcher working with nanocrystals A researcher at LANL works with nanocrystals. Get Expertise Researcher Sergio Brovelli Physical Chem & Applied Spectroscopy Email Research Team Leader Alberto Paleari University of Milano-Bicocca in Italy Such devices could, for example, selectively activate

  13. Argonne ARPA-E Battery Research

    SciTech Connect (OSTI)

    Amine, Khalil; Sinkula, Michael

    2011-01-01

    Argonne National Laboratory and Envia Systems annouced a licensing agreement for Argonne's patented electrode material technology. Envia plans to commercialize these materials for use in energy storage devices for the next generation of electric, plug-in and hybrid electric vehicles. General Motors Company, LG Chem, BASF and Toda Kyoga have also licensed this suite of Argonne's technologies. For more information visit us at http://www.anl.gov

  14. A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide

    SciTech Connect (OSTI)

    Meng, Qingyong, E-mail: mengqingyong@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Zhongshan Road 457, 116023 Dalian (China); Meyer, Hans-Dieter, E-mail: hans-dieter.meyer@pci.uni-heidelberg.de [Theoretische Chemie, Physikalisch-Chemisches Institut, Ruprecht-Karls Universitt Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany)

    2014-09-28

    Employing the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method in conjunction with the multistate multimode vibronic coupling Hamiltonian (MMVCH) model, we perform a full dimensional (9D) quantum dynamical study on the simplest Criegee intermediate, formaldehyde oxide, in five lower-lying singlet electronic states. The ultraviolet (UV) spectrum is then simulated by a Fourier transform of the auto-correlation function. The MMVCH model is built based on extensive MRCI(8e,8o)/aug-cc-pVTZ calculations. To ensure a fast convergence of the final calculations, a large number of ML-MCTDH test calculations is performed to find an appropriate multilayer separations (ML-trees) of the ML-MCTDH nuclear wave functions, and the dynamical calculations are carefully checked to ensure that the calculations are well converged. To compare the computational efficiency, standard MCTDH simulations using the same Hamiltonian are also performed. A comparison of the MCTDH and ML-MCTDH calculations shows that even for the present not-too-large system (9D here) the ML-MCTDH calculations can save a considerable amount of computational resources while producing identical spectra as the MCTDH calculations. Furthermore, the present theoretical B{sup ~} {sup 1}A{sup ?}?X{sup ~} {sup 1}A{sup ?} UV spectral band and the corresponding experimental measurements [J. M. Beames, F. Liu, L. Lu, and M. I. Lester, J. Am. Chem. Soc. 134, 2004520048 (2012); L. Sheps, J. Phys. Chem. Lett. 4, 42014205 (2013); W.-L. Ting, Y.-H. Chen, W. Chao, M. C. Smith, and J. J.-M. Lin, Phys. Chem. Chem. Phys. 16, 1043810443 (2014)] are discussed. To the best of our knowledge, this is the first theoretical UV spectrum simulated for this molecule including nuclear motion beyond an adiabatic harmonic approximation.

  15. Special Report: OAS-RA-13-10 | Department of Energy

    Energy Savers [EERE]

    Special Report: OAS-RA-13-10 Special Report: OAS-RA-13-10 February 8, 2013 The Department of Energy's Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc The Department of Energy's Vehicle Technologies Program was established to develop and deploy efficient and environmentally friendly highway transportation technologies to reduce the Nation's dependence on foreign oil and provide greater energy security. The Vehicle Technologies Program received $2.4 billion

  16. Outer sphere hydrogenation catalysis (Journal Article) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Outer sphere hydrogenation catalysis Citation Details In-Document Search Title: Outer sphere hydrogenation catalysis Authors: Eisenstein, Odile ; Crabtree, Robert H Publication Date: 2013-01-01 OSTI Identifier: 1080563 DOE Contract Number: SC0001055 Resource Type: Journal Article Resource Relation: Journal Name: New J. Chem.; Journal Volume: 37; Related Information: CETM partners with General Electric Global Research (lead); Lawrence Berkeley National Laboratory; Stanford University; Yale

  17. Research Highlight

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Radiative and Thermodynamic Responses to Uncertainty in Aerosol Extinction Profiles Download a printable PDF Submitter: Feng, Y., Argonne National Laboratory Area of Research: Aerosol Properties Working Group(s): Aerosol Life Cycle Journal Reference: Feng Y, R Kotamarthi, R Coulter, C Zhao, and M Cadeddu. 2016. "Radiative and Thermodynamic Responses to Aerosol Extinction Profiles during the Pre-monsoon Month over South Asia." Atmospheric Chemistry and Physics, 16(1), 247-264. WRF-Chem

  18. Special Report: OAS-RA-13-10 | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    13-10 Special Report: OAS-RA-13-10 February 8, 2013 The Department of Energy's Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc The Department of Energy's Vehicle Technologies Program was established to develop and deploy efficient and environmentally friendly highway transportation technologies to reduce the Nation's dependence on foreign oil and provide greater energy security. The Vehicle Technologies Program received $2.4 billion under the American

  19. Water Adsorption in Porous Metal-Organic Frameworks and Related Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Water Adsorption in Porous Metal-Organic Frameworks and Related Materials Previous Next List Hiroyasu Furukawa, Felipe Gándara, Yue-Biao Zhang, Juncong Jiang, Wendy L. Queen, Matthew R. Hudson, and Omar M. Yaghi, J. Am. Chem. Soc., 136, 4369-4381 (2014) DOI: 10.1021/ja500330a Abstract Image Abstract: Water adsorption in porous materials is important for many applications such as dehumidification, thermal

  20. 15.01.16 RH Perovskite Solar Cells - JCAP

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Fabrication of High Efficiency Perovskite Solar Cells Li, Y., Cooper, J. K., Buonsanti, R., Giannini, G., Liu, Y., Toma, F. M. & Sharp, I. D. Fabrication of Planar Heterojunction Perovskite Solar Cells by Controlled Low-Pressure Vapor Annealing. J. Phys. Chem. Lett ., 6, 493-499, DOI: 10.1021/jz502720a (2015). Scientific Achievement A new synthetic method based on low-pressure and reduced-temperature vapor annealing was developed and demonstrated to yield efficient hybrid halide perovskites

  1. Reddy, J. S.; Kale, T. S.; Balaji, G.; Chandrasekaran, A.; Thayumanavan, S*

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Reddy, J. S.; Kale, T. S.; Balaji, G.; Chandrasekaran, A.; Thayumanavan, S* Effect of Fluorinated Substituents on Electro- chemical and Charge Transport Properties Reddy, J. S.et al. J. Phys. Chem. Lett. 2011, 2, 648-654. (DOI: 10.1021/jz200126s) Small molecule semiconductors based on cyclopenta-dithiophene (CPD) hole conductors were electronically "tuned" by incorporation of electron withdrawing groups, including fluorinated substituents. Conversion of an otherwise p-type material

  2. Journal Cover Stories

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Darmon Chem Science 2015 cover page Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay March 5, 2015 | Author(s): Jonathan M. Darmon, Neeraj Kumar, Elliott B. Hulley, Charles J. Weiss, Simone Raugei, R. Morris Bullocka and Monte L. Helm* Center for Molecular Electrocatalysis, Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, K2-57, Richland, USA

  3. Space scientist tapped for French knighthood

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Space scientist tapped for French knighthood At the Bradbury Latest Issue:May 2016 all issues All Issues » submit Space scientist tapped for French knighthood Roger Wiens was awarded the honorary title of chevalier (knight) in France's Academic Order of Palms for his work in forging strong ties between the French and American scientific communities. May 1, 2016 Roger Wiens (right), leader of Los Alamos National Laboratory's ChemCam project, received the honorary title of knight in France's

  4. Effect of reaction conditions on film morphology of polyaniline composite

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    membranes for gas separation | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Effect of reaction conditions on film morphology of polyaniline composite membranes for gas separation Previous Next List N. V. Blinova, J. Stejskal, J. M. J. Frechet, and F. Svec, J. Polym. Sci. Pol. Chem. 50 (15), 3077 (2012) DOI: 10.1002/pola.26093 Thumbnail image of graphical abstract Abstract: Novel composite membranes combining a 90-200 nm thick active layer of polyaniline

  5. High-Throughput Characterization of Porous Materials Using Graphics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Processing Units | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome High-Throughput Characterization of Porous Materials Using Graphics Processing Units Previous Next List J. Kim, R. L. Martin, O. Rubel, M. Haranczyk, and B. Smit, J. Chem. Theory Comput. 8 (5), 1684 (2012) DOI: 10.1021/ct200787v Abstract: We have developed a high-throughput graphics processing unit (GPU) code that can characterize a large database of crystalline porous materials. In our

  6. Hydrocarbon Separations in Metal-Organic Frameworks | Center for Gas

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Hydrocarbon Separations in Metal-Organic Frameworks Previous Next List Zoey R. Herm, Eric D. Bloch, and Jeffrey R. Long, Chem. Mater., 26 (1), pp 323-338 (2014) DOI: 10.1021/cm402897c Abstract Image Abstract: New materials capable of separating mixtures of saturated, unsaturated, and aromatic hydrocarbons can enable more efficient industrial processes and cleaner energy. Outstanding challenges in hydrocarbon separations stem

  7. Minute-MOFs: Ultrafast Synthesis of M2(dobpdc) Metal-Organic Frameworks

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    from Divalent Metal Oxide Colloidal Nanocrystals | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Minute-MOFs: Ultrafast Synthesis of M2(dobpdc) Metal-Organic Frameworks from Divalent Metal Oxide Colloidal Nanocrystals Previous Next List Maserati, Lorenzo; Meckler, Stephen M.; Li, Changyi; and Helms, Brett A. Minute-MOFs: Ultrafast Synthesis of M2(dobpdc) Metal-Organic Frameworks from Divalent Metal Oxide Colloidal Nanocrystals. Chem. Mater., 28, 1581-1588

  8. TEPP Planning Brochure

    Office of Environmental Management (EM)

    TECHNOLOGY VISION 2020: The U.S. Chemical Industry TECHNOLOGY VISION 2020: The U.S. Chemical Industry PDF icon chem_vision.pdf More Documents & Publications ITP Chemicals: Technology Roadmap for Computational Chemistry Process Intensification Workshop - September 29-30, 2015 Clean Energy Manufacturing Initiative Midwest Regional Summit: Lightweighting Breakout Session Summary

    TED-Ed Video: A Guide to the Energy of the Earth TED-Ed Video: A Guide to the Energy of the Earth Addthis

  9. UMass-EFRC-Highlight-2011-07.pptx

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    M. Chudomel*, B. Yang* ,§ , M. D. Barnes* ,§ , M. Achermann § , J. T. Mague**, P. M. Lahti * Highly Twisted Triarylamines for Photoinduced Intramolecular Charge Transfer J. M. Chudomel, et al. J. Phys. Chem. A, 115(30), 8361-8368 (2011). Achievement: Highly twisted triarylamines were synthesized to test for photoexcited charge formation. Crystallography of 9DAAA (structure to the left) shows it to be bisected. Solution fluorescence show strong bathochromic shifts in all systems tested, with

  10. Vanadium catalysts break down biomass for fuels

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Vanadium catalysts break down biomass for fuels Vanadium catalysts break down biomass into useful components Breaking down biomass could help in converting biomass to fuels. March 26, 2012 Biomass Due to diminishing petroleum reserves, non-food biomass (lignocellulose) is an attractive alternative as a feedstock for the production of renewable chemicals and fuels. Get Expertise Researcher Susan Hanson Inorganic Isotope & Actinide Chem Email Researcher Ruilian Wu Bioenergy & Environmental

  11. Argonne ARPA-E Battery Research

    ScienceCinema (OSTI)

    Amine, Khalil; Sinkula, Michael

    2013-04-19

    Argonne National Laboratory and Envia Systems annouced a licensing agreement for Argonne's patented electrode material technology. Envia plans to commercialize these materials for use in energy storage devices for the next generation of electric, plug-in and hybrid electric vehicles. General Motors Company, LG Chem, BASF and Toda Kyoga have also licensed this suite of Argonne's technologies. For more information visit us at http://www.anl.gov

  12. Space scientist tapped for French knighthood

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Space scientist tapped for French knighthood Space scientist tapped for French knighthood Roger Wiens was awarded the honorary title of chevalier (knight) in France's Academic Order of Palms for his work in forging strong ties between the French and American scientific communities. April 11, 2016 Roger Wiens (right), leader of Los Alamos National Laboratory's ChemCam project, received the honorary title of knight in France's Academic Order of Palms. Christophe Lemoine (left), Consul General of

  13. Talk explores Laboratory's 50 years of space research

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Talk explores Laboratory's 50 years of space research Talk explores Laboratory's 50 years of space research The talk, titled "Los Alamos National Laboratory's 50 Years in Space," will highlight the Laboratory's significant discoveries and events in the field. October 3, 2013 Laboratory fellow and astrophysicist Ed Fenimore, and Laboratory planetary scientist and principal investigator of the ChemCam team Roger Wiens, will talk about Los Alamos National Laboratory's 50 years of space

  14. Curiosity rover finds evidence of Mars' primitive continental crust

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Curiosity rover finds evidence of Mars' primitive continental crust Curiosity rover finds evidence of Mars' primitive continental crust This is the first discovery of a potential "continental crust" on Mars. July 13, 2015 Igneous clast named Harrison embedded in a conglomerate rock in Gale crater, Mars, shows elongated light-toned feldspar crystals. The mosaic merges an image from Mastcam with higher-resolution images from ChemCam's Remote Micro-Imager. Credit:

  15. Bataan naphtha cracker project. Final report prepared for PNOC Petrochemical Development Corporation (PPDC). Export trade information

    SciTech Connect (OSTI)

    1997-05-01

    The study, conducted by Chem Systems, was funded by the U.S. Trade and Development agency. The final report determines the feasibility of an ethylene/polyethylene facility in the Philippines. The study is divided into the following sections: (1) Executive Summary; (2) Technical Description; (3) Implementation Plan; (4) Feasibility Study; (5) Licensor Status; (6) Recommended Contract Principles; (7) Recommended Olefins Pricing Basis; (8) Clarifications/Discussion of Issues; (9) Appendix.

  16. Microsoft PowerPoint - HAB 2012 Final.pptx

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    fe a n d E ff e c ti v e C le a n u p th a t P ro te c ts th e C o lu m b ia R iv e r Re du ce s th e Ac tiv e Sit e Fo ot pr int of Cl ea nu p to 75 Sq ua re Mi les (5 86 to 75 ) Sig ni fic an tly Re du ce s Lo ng -T erm Mo rtg ag e Co st s At Co m pl eti on , Sh ift s Em ph as is an d Re so ur ce s to Fu ll of th e Ce nt ra l Pla tea u (7 5 sq ua re m ile s) Re du ce s Co st s by "R i Mi ss io Ri ch la nd O pe ra tio ns Of fic e B & C Ar ea Inte rim Saf e Sto rag e f N Ar ea Inte rim

  17. Real-time discriminatory sensors for water contamination events :LDRD 52595 final report.

    SciTech Connect (OSTI)

    Borek, Theodore Thaddeus III; Carrejo-Simpkins, Kimberly; Wheeler, David Roger; Adkins, Douglas Ray; Robinson, Alex Lockwood; Irwin, Adriane Nadine; Lewis, Patrick Raymond; Goodin, Andrew M.; Shelmidine, Gregory J.; Dirk, Shawn M.; Chambers, William Clayton; Mowry, Curtis Dale; Showalter, Steven Kedrick

    2005-10-01

    The gas-phase {mu}ChemLab{trademark} developed by Sandia can detect volatile organics and semi-volatiles organics via gas phase sampling . The goal of this three year Laboratory Directed Research and Development (LDRD) project was to adapt the components and concepts used by the {mu}ChemLab{trademark} system towards the analysis of water-borne chemicals of current concern. In essence, interfacing the gas-phase {mu}ChemLab{trademark} with water to bring the significant prior investment of Sandia and the advantages of microfabrication and portable analysis to a whole new world of important analytes. These include both chemical weapons agents and their hydrolysis products and disinfection by-products such as Trihalomethanes (THMs) and haloacetic acids (HAAs). THMs and HAAs are currently regulated by EPA due to health issues, yet water utilities do not have rapid on-site methods of detection that would allow them to adjust their processes quickly; protecting consumers, meeting water quality standards, and obeying regulations more easily and with greater confidence. This report documents the results, unique hardware and devices, and methods designed during the project toward the goal stated above. It also presents and discusses the portable field system to measure THMs developed in the course of this project.

  18. The Influence of Process Conditions on the Chemical Composition of Pine Wood Catalytic Pyrolysis Oils

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Pereira, J.; Agblevor, F. A.; Beis, S. H.

    2012-01-01

    Pine wood samples were used as model feedstock to study the properties of catalytic fast pyrolysis oils. The influence of two commercial zeolite catalysts (BASF and SudChem) and pretreatment of the pine wood with sodium hydroxide on pyrolysis products were investigated. The pyrolysis oils were first fractionated using column chromatography and characterized using GC-MS. Long chain aliphatic hydrocarbons, levoglucosan, aldehydes and ketones, guaiacols/syringols, and benzenediols were the major compounds identified in the pyrolysis oils. The catalytic pyrolysis increased the polycyclic hydrocarbons fraction. Significant decreases in phthalate derivatives using SudChem and long chain aliphatics using BASF catalyst were observed. Significant amountsmore » of aromatic heterocyclic hydrocarbons and benzene derivatives were formed, respectively, using BASF and SudChem catalysts. Guaiacyl/syringyl and benzenediols derivatives were partly suppressed by the zeolite catalysts, while the sodium hydroxide treatment enriched phenolic derivatives. Zeolite catalyst and sodium hydroxide were employed together; they showed different results for each catalyst.« less

  19. More light on the 2?{sub 5} Raman overtone of SF{sub 6}: Can a weak anisotropic spectrum be due to a strong transition anisotropy?

    SciTech Connect (OSTI)

    Kremer, D.; Rachet, F.; Chrysos, M.

    2014-01-21

    Long known as a fully polarized band with a near vanishing depolarization ratio [?{sub s} = 0.05, W. Holzer and R. Ouillon, Chem. Phys. Lett. 24, 589 (1974)], the 2?{sub 5} Raman overtone of SF{sub 6} has so far been considered as of having a prohibitively weak anisotropic spectrum [D. P. Shelton and L. Ulivi, J. Chem. Phys. 89, 149 (1988)]. Here, we report the first anisotropic spectrum of this overtone, at room temperature and for 13 gas densities ranging between 2 and 27 amagat. This spectrum is 10 times broader and 50 times weaker than the isotropic counterpart of the overtone [D. Kremer, F. Rachet, and M. Chrysos, J. Chem. Phys. 138, 174308 (2013)] and its profile much more sensitive to pressure effects than the profile of the isotropic spectrum. From our measurements an accurate value for the anisotropy matrix-element |?000020|??|000000?| was derived and this value was found to be comparable to that of the mean-polarizability ((000020), ?{sup } (000000)). Among other conclusions our study offers compelling evidence that, in Raman spectroscopy, highly polarized bands or tiny depolarization ratios are not necessarily incompatible with large polarizability anisotropy transition matrix-elements. Our findings and the way to analyze them suggest that new strategies should be developed on the basis of the complementarity inherent in independent incoherent Raman experiments that run with two different incident-beam polarizations, and on concerted efforts to ab initio calculate accurate data for first and second polarizability derivatives. Values for these derivatives are still rarities in the literature of SF{sub 6}.

  20. Quantitative metrics for assessment of chemical image quality and spatial resolution

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kertesz, Vilmos; Cahill, John F.; Van Berkel, Gary J.

    2016-02-28

    Rationale: Currently objective/quantitative descriptions of the quality and spatial resolution of mass spectrometry derived chemical images are not standardized. Development of these standardized metrics is required to objectively describe chemical imaging capabilities of existing and/or new mass spectrometry imaging technologies. Such metrics would allow unbiased judgment of intra-laboratory advancement and/or inter-laboratory comparison for these technologies if used together with standardized surfaces. Methods: We developed two image metrics, viz., chemical image contrast (ChemIC) based on signal-to-noise related statistical measures on chemical image pixels and corrected resolving power factor (cRPF) constructed from statistical analysis of mass-to-charge chronograms across features of interest inmore » an image. These metrics, quantifying chemical image quality and spatial resolution, respectively, were used to evaluate chemical images of a model photoresist patterned surface collected using a laser ablation/liquid vortex capture mass spectrometry imaging system under different instrument operational parameters. Results: The calculated ChemIC and cRPF metrics determined in an unbiased fashion the relative ranking of chemical image quality obtained with the laser ablation/liquid vortex capture mass spectrometry imaging system. These rankings were used to show that both chemical image contrast and spatial resolution deteriorated with increasing surface scan speed, increased lane spacing and decreasing size of surface features. Conclusions: ChemIC and cRPF, respectively, were developed and successfully applied for the objective description of chemical image quality and spatial resolution of chemical images collected from model surfaces using a laser ablation/liquid vortex capture mass spectrometry imaging system.« less

  1. Exhibit G / working draft

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    (Rev 13, 5/22/2014) Security Requirements P.R. No. * Date * Page 1 of 35 Solicitation/Subcontract No. or PO No. Preparer Note (PN): This document contains instructions in blue hidden text. To view hidden text, click on the ¶ (Show/Hide) icon on your tool bar. If that doesn't work, see the document "How to View Hidden Text" on the Exhibit G website at http://int.lanl.gov/security/ExG.shtml. There is no need to delete the blue hidden text instructions since hidden text will not affect

  2. icenes2011_poster_shumlak_v1_mac.ppt

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Sheared Flow Stabilized Z-Pinch U. Shumlak, J. Chadney, R.P. Golingo, D.J. Den Hartog, M.C. Hughes, S.D. Knecht, B.A. Nelson, W. Lowrie, R.J. Oberto, M.P. Ross, J.L. Rohrbach, and G.V. Vogman Aerospace & Energetics Research Program University of Washington, Seattle, USA 15 th Int'l Conf. on Emerging Nuclear Energy Systems 15 - 19 May 2011 ZaP Personnel Graduate Students Joshua Chadney Sean Knecht Michal Hughes Jacob Rohrbach Michael Ross Undergraduate Students Rachel Oberto Gautam Shah Genia

  3. Enron Documents

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    f Enron Documents 1994 U.S. DEPARTMENT OF ENERGY 13S. 12 CORRESPONDENCE CONTROL FORM 1) OFFICE OF THE EXECUTIVE SECRETARIAT 8CTIVITY ADD DO NOT DETACH FROM ORIGINAL CORRESPONDENCE 0/03/Y4 10: O0 5OURCECODE PM PUBLIC MAIL :?EC INT: CONTROL NO: ES94-012853 ,ATE CORR: 04/25/94 DATE RECD: 05/02/94 DATE CNTRL: 05/03/94 DATE DUE: NONE :TTER: X MEMO: TWX: _ OTHER: TO: SECY: X DEP SEC: _ UN SEC: OTHER: )M:LAY,KENNETH L \ TX O REMARKS: RELATES TO ES94-009882. i ENRON CORP. J: PUBLIC INFORMATION NATIONAL

  4. La Primera Medida de la Sección Eficaz

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    9/2009 Teppei Katori, MIT 1 La Primera Medida de la Sección Eficaz Doble Diferencial en la Dispersión Quasi- elastica de la Corriente Cargada del Neutrino Muónico Teppei Katori for the MiniBooNE collaboration Massachusetts Institute of Technology NuInt 09, Sitges, May, 19, 09 Work based on PhD thesis at Indiana University First Measurement of Muon Neutrino Charged Current Quasielastic (CCQE) Double Differential Cross Section 05/19/2009 Teppei Katori, MIT 2 outline 1.! Booster neutrino

  5. CC CC

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    CC Measurement of CC π π + + events events at MiniBooNE at MiniBooNE CC CC π π + + events in MiniBooNE events in MiniBooNE Comparisons to model predictions Comparisons to model predictions First look at neutrino content in First look at neutrino content in anti-neutrino mode using CC anti-neutrino mode using CC π π + + s s B.T.Fleming NuINT07 June 1, 2007 Why are CCπ + events so interestng? ● Rich channel with resonant and coherent interactions -- lots to learn! ● Largest background

  6. Probing iron at Super-Earth core conditions

    SciTech Connect (OSTI)

    Amadou, N.; Brambrink, E.; Vinci, T.; Benuzzi-Mounaix, A.; Huser, G.; Brygoo, S.; Morard, G.; Guyot, F.; Resseguier, T. de; Mazevet, S.; Miyanishi, K.; Ozaki, N.; Kodama, R.; Henry, O.; Raffestin, D.; Boehly, T.; and others

    2015-02-15

    In this paper, we report on the quasi-isentropic compression of an iron sample using ramp shaped laser irradiation. This technique allows us to quasi-isentropically compress iron up to 700 GPa and 8500 K. To our knowledge, these data are the highest pressures reached on iron in off-Hugoniot conditions and the closest to the thermodynamic states thought to exist in Earth-like planetary cores. The experiment was performed on the Ligne d'Intégration laser facility at CESTA, Bordeaux, France.

  7. Publications

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    GCPCC's collaboration and publication policy Beamline acknowledgement Publication List Please contact us when you have a publication resulting from work done at the GCPCC PX beamline. Miller MD, Phillips GN Jr., White MA, Fox RO, Craft BC III The development of the GCPCC Protein Crystallography Beamline at CAMD. Application of Accelerators in Research and Industry -- Sixteenth Int'l Conf., J.L. Duggan and I.L. Morgan eds., 734-737 (2001). {PDF} Qiu C, Tarrant MK, Choi SH, Sathyamurthy A, Bose R,

  8. Massachusetts Institute of Technology Elba XI Workshop, Elba, Italy, June 23, 10

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    2010 Teppei Katori, MIT 1 Teppei Katori for the MiniBooNE collaboration Massachusetts Institute of Technology Elba XI Workshop, Elba, Italy, June 23, 10 First Measurement of Muon Neutrino Charged Current Quasielastic (CCQE) Double Differential Cross Section PRD81(2010)092005 First Measurement of Muon Neutrino Charged Current Quasielastic (CCQE) Double Differential Cross Section 06/30/2010 Teppei Katori, MIT 2 outline 0. NuInt09 summary 1. Booster neutrino beamline 2. MiniBooNE detector 3. CCQE

  9. C:\My Documents\FORMS\DOE F 4200.40.cdr

    Energy Savers [EERE]

    PROCUREMENT ACTIONS DOE F 4200.40 (10-03) (All Other Editions Are Obsolete) U.S. DEPARTMENT OF ENERGY INDIVIDUAL PROCUREMENT ACTION REPORT (IPAR) See Handbook for the Preparation of the Individual Procurement Action Report Original - Contract File Goldenrod - ADP Entry Printed with soy ink on recycled paper 80. DATE 81. DOLLARS 82. MISC. 83. INT. OFF. USE 84. PR NUMBER 85. TEXT 86. TRANSFERRED TO OFFICE 18. EMG SM BUS 19. HUBZone BUS 20. VERY SM BUS 23. R & D 5. CONTRACTOR NAME 6. DIVISION

  10. Sowjanya Gollapinni (KSU

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Sowjanya Gollapinni (KSU) (on behalf of the MicroBooNE collaboration) NuInt14, London (UK) Status of the MicroBooNE LArTPC Status of the MicroBooNE LArTPC and and Prospective low-energy neutrino Prospective low-energy neutrino interaction measurements in Argon interaction measurements in Argon 2 Introduction Introduction ● Liquid argon time projection chambers (LArTPC) are quickly becoming the technology choice for future neutrino detectors - Make great precision neutrino detectors offer

  11. Effects of Metastabilities on CIGS Photovoltaic Modules | Department of

    Broader source: Energy.gov (indexed) [DOE]

    Non-Road Engines, Report 1 … Updated Feb 2009 | Department of Energy Effects of Intermediate Ethanol Blends on Legacy Vehicles and Small Non-Road Effects of Intermediate Ethanol Blends on Legacy Vehicles and Small Non-Road Engines, Report 1 … Updated Feb 2009 PDF icon pub_int_blends_rpt1_updated.pdf More Documents & Publications EffectsIntermediateEthanolBlends.pdf Energy

    poster describes a SunShot Initiative solar project led by a team from Nexcis Photovoltaic Technology

  12. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    mission laser tool heads to JPL September 21, 2010 Star Wars photon gun will give Mars rover hands-free rock ID LOS ALAMOS, New Mexico, September 21, 2010-The ChemCam instrument has completed the first short leg of its long trip to Mars, arriving at the Jet Propulsion Laboratory from Los Alamos National Laboratory for installation aboard the next Mars rover, due to launch in 2011. The NASA Mars Science Laboratory Project's rover, Curiosity, will carry the newly delivered laser instrument to

  13. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    for future Mars astronauts? September 26, 2013 Diversity of Martian soils leaves Los Alamos scientists thirsty for more LOS ALAMOS, N.M., Sept. 26, 2013-Within its first three months on Mars, NASA's Curiosity Rover saw a surprising diversity of soils and sediments along a half-kilometer route that tell a complex story about the gradual desiccation of the Red Planet. Perhaps most notable among findings from the ChemCam team is that all of the dust and fine soil contains small amounts of water.

  14. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    selected for 2020 Mars mission July 31, 2014 New 'SuperCam' instrument adds capabilities to successful ChemCam LOS ALAMOS, N.M., July 31, 2014-NASA announced today that laser technology originally developed at Los Alamos National Laboratory has been selected for its new Mars mission in 2020. "We are extremely excited to be going to Mars again," said Los Alamos National Laboratory planetary scientist Roger Wiens, Principal Investigator of the newly selected SuperCam team and current

  15. 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    rover finds evidence of Mars' primitive continental crust July 13, 2015 LOS ALAMOS, N.M., July 13, 2015-The ChemCam laser instrument on NASA's Curiosity rover has turned its beam onto some unusually light-colored rocks on Mars, and the results are surprisingly similar to Earth's granitic continental crust rocks. This is the first discovery of a potential "continental crust" on Mars."Along the rover's path we have seen some beautiful rocks with large, bright crystals, quite

  16. DOE Science Showcase - "Curiosity" R&D | OSTI, US Dept of Energy, Office of

    Office of Scientific and Technical Information (OSTI)

    Scientific and Technical Information "Curiosity" R&D U.S. Department of Energy laboratories and their researchers are helping keep the Mars Science Laboratory "Curiosity" rover functioning on Mars for the next 23 months. Search the DOE's Energy Citations Database and other DOE Collections to learn more about some of the research that makes this mission possible. Learn more about ChemCam, the MMRTG, Signs of Life, and Beyond Curiosity in the white paper Department of

  17. Electron localization in a mixed-valence diniobium benzene complex

    Office of Scientific and Technical Information (OSTI)

    £ 1 EDGE ARTICLE View Article Online View Journal | View Issue CrossMark <-click for updates Cite this: Chem. Sci., 2015, 6, 993 Electron localization in a mixed-valence diniobium benzene complexf Thomas L. Gianetti,a Gregory Nocton,*b Stefan G. Minasian,cd Nikolas Kaltsoyannis,*e A. L. David Kilcoyne,f Stosh A. Kozimor,d David K. Shuh,c Tolek Tyliszczak,f Robert G. Bergman*3 and John Arnold*3 Received 3rd September 2014 Accepted 17th October 2014 DOI: 10.1039/c4sc02705a

  18. In operando X-ray studies of the conversion reaction in Mn3O4 lithium

    Office of Scientific and Technical Information (OSTI)

    battery anodes (Journal Article) | SciTech Connect operando X-ray studies of the conversion reaction in Mn3O4 lithium battery anodes Citation Details In-Document Search Title: In operando X-ray studies of the conversion reaction in Mn3O4 lithium battery anodes Authors: Lowe, Michael A. ; Gao, Jie ; Abruña, Héctor D. Publication Date: 2013-01-01 OSTI Identifier: 1080663 DOE Contract Number: SC0001086 Resource Type: Journal Article Resource Relation: Journal Name: J. Mater. Chem. A; Journal

  19. On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Adsorption in MIL-53 | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53 Previous Next List A. R. Ghysels, L. Vanduyfhuys, M. Vandichel, M. Waroquier, V. Van Speybroeck, and B. Smit, J. Phys Chem C, 117, 11540-11554 (2013) DOI: 10.1021/jp311601q Abstract: When adsorbing guest molecules, the porous metal-organic framework MIL-53(Cr) may vary its cell parameters

  20. Papers Published - Center for Solar and Thermal Energy Conversion

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Archival, Peer-Reviewed Journal Publications C. M. Andres, J. Zhu, T. Shyu, C. Flynn, N. A. Kotov, "Shape-Morphing Nanocomposite Origami," Langmuir 30, 5378-5385 (2014). B. X. Dong , B. Huang, A. Tan , and Peter F. Green, "Nanoscale Orientation Effects on Carrier Transport in a Low-Band-Gap Polymer," J. Phys. Chem. C 118, 17490-17498 (2014). Y. Jin, C. Shao, J. Kieffer, M. L. Falk, and M. Shtein, "Spatial nonuniformity in heat transport across hybrid material

  1. People | Center for Energy Efficient Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    People Administration/Staff Name E-mail Address Telephone Title Allen, Jane jane [at] iee [dot] ucsb [dot] edu (805) 893-3488 Business Officer Auston, David auston [at] iee [dot] ucsb [dot] edu (805) 893-3376 Executive Director Bowers, John bowers [at] ece [dot] ucsb [dot] edu (805) 893-8447 Director Faculty/Researchers Name E-mail Address Telephone Group(s)* Bazan, Guillermo bazan [at] chem [dot] ucsb [dot] edu (805) 893-5538 OPV Bowers, John bowers [at] ece [dot] ucsb [dot] edu (805) 893-8447

  2. Porous Polymer Networks: Synthesis, Porosity, and Applications in Gas

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Storage/Separation | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Porous Polymer Networks: Synthesis, Porosity, and Applications in Gas Storage/Separation Previous Next List Weigang Lu, Daqiang Yuan, Dan Zhao, Christine Inge Schilling, Oliver Plietzsch, Thierry Muller, Stefan Bräse, Johannes Guenther, Janet Blümel, Rajamani Krishna, Zhen Li, and Hong-Cai Zhou, Chem. Mater., 2010, 22 (21), pp 5964-5972 DOI: 10.1021/cm1021068 Abstract Image Abstract:

  3. Preparation of Core-Shell Coordination Molecular Assemblies via the

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Enrichment of Structure-Directing "Codes" of Bridging Ligands and Metathesis of Metal Units | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing "Codes" of Bridging Ligands and Metathesis of Metal Units Previous Next List Jinhee Park, Ying-Pin Chen, Zachary Perry, Jian-Rong Li, and Hong-Cai Zhou, J. Am. Chem. Soc., 136, 16895-16901 (2014)

  4. Pressure-Responsive Curvature Change of a "Rigid" Geodesic Ligand in a

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    (3,24)-Connected Mesoporous Metal-Organic Framework | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Pressure-Responsive Curvature Change of a "Rigid" Geodesic Ligand in a (3,24)-Connected Mesoporous Metal-Organic Framework Previous Next List Daqiang Yuan, Dan Zhao, and Hong-Cai Zhou, Inorg. Chem., 2011, 50 (21), pp 10528-10530 DOI: 10.1021/ic201744n Abstract Image Abstract: A (3,24)-connected mesoporous metal-organic framework, PCN-69, was

  5. Publications, 2016 | MIT-Harvard Center for Excitonics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    6 2016 A. G. Dijkstra, H.-G. Duan, J. Knoester, K. A. Nelson, and Jianshu CaoHow two-dimensional brick layer J-aggregates differ from linear ones: Excitonic properties and line broadening mechanismsJ. Chem. Phys. 144, 134310 (2016). doi: 10.1063/1.4944980 website B. SkinnerChemical potential and compressibility of quantum Hall bilayer excitonsPhys. Rev. B 93, 085436 (2016). website J. F. Rodriguez-Nieva, M. S. Dresselhaus, and L. S. LevitovResonant Tunneling and Intrinsic Bistability in Twisted

  6. Rigidifying Fluorescent Linkers by Metal-Organic Framework Formation for

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Fluorescence Blue Shift and Quantum Yield Enhancement | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Rigidifying Fluorescent Linkers by Metal-Organic Framework Formation for Fluorescence Blue Shift and Quantum Yield Enhancement Previous Next List Zhangwen Wei, Zhi-Yuan Gu, Ravi K. Arvapally, Ying-Pin Chen, Roy N. McDougald Jr., Joshua F. Ivy, Andrey A. Yakovenko, Dawei Feng, Mohammad A. Omary, and Hong-Cai Zhou, J. Am. Chem. Soc., 136, 8269-8276 (2014)

  7. Screening Metal-Organic Frameworks by Analysis of Transient Breakthrough

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    of Gas Mixtures in a Fixed Bed Adsorber | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Screening Metal-Organic Frameworks by Analysis of Transient Breakthrough of Gas Mixtures in a Fixed Bed Adsorber Previous Next List Rajamani Krishna and Jeffrey R. Long, J. Phys. Chem. C, 2011, 115 (26), pp 12941-12950 DOI: 10.1021/jp202203c Abstract Image Abstract: Metal-organic frameworks (MOFs) offer considerable potential for separating a variety of mixtures that

  8. Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with Open Iron(II) Coordination Sites | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites Previous Next List E. D. Bloch, L. J. Murray, W. L. Queen, S. Chavan, S. N. Maximoff, J. P. Bigi, R. Krishna, V. K. Peterson, F. Grandjean, G. J. Long, B. Smit, S. Bordiga, C. M. Brown, and J. R. Long, J. Am. Chem. Soc. 133 (37), 14814 (2011) DOI:

  9. Selective adsorption of ethylene over ethane and propylene over propane in

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    the metal-organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn) | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome adsorption of ethylene over ethane and propylene over propane in the metal-organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn) Previous Next List Stephen J. Geier, Jarad A. Mason, Eric D. Bloch, Wendy L. Queen, Matthew R. Hudson, Craig M. Brown and Jeffrey R. Long, Chem. Sci., 4, 2054-2061 (2013) DOI: 10.1039/c3sc00032j Abstract: A

  10. Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation Previous Next List Tian-Fu Liu, Lanfang Zou, Dawei Feng, Ying-Pin Chen, Stephen Fordham, Xuan Wang, Yangyang Liu, and Hong-Cai Zhou, J. Am. Chem. Soc.,

  11. Synthesis and Characterization of Metal-Organic Framework-74 Containing

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    2, 4, 6, 8, and 10 Different Metals | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Synthesis and Characterization of Metal-Organic Framework-74 Containing 2, 4, 6, 8, and 10 Different Metals Previous Next List Lisa J. Wang, Hexiang Deng, Hiroyasu Furukawa, Felipe Gándara, Kyle E. Cordova, Dani Peri, and Omar M. Yaghi, Inorg. Chem., 53, 5881-5883 (2014) DOI: 10.1021/ic500434a ic-2014-00434a_0005 Abstract: Metal-organic frameworks (MOFs) containing more

  12. Synthesis and Structural Flexibility of a Series of Copper(II)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Azolate-Based Metal-Organic Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Synthesis and Structural Flexibility of a Series of Copper(II) Azolate-Based Metal-Organic Frameworks Previous Next List Kenji Sumida, Maw Lin Foo, Satoshi Horike, Jeffrey R. Long, Eur. J. Inorg. Chem., (24), 3739-3744 (2010) DOI: 10.1002/ejic.201000490 nfigure2.jpg Abstract: The reaction of CuCl2*2H2O with three novel ditopic ligands, 2-methyl-1,4-benzeneditetrazolate

  13. Synthesis, Structure, and Metalation of Two New Highly Porous Zirconium

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Metal-Organic Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Synthesis, Structure, and Metalation of Two New Highly Porous Zirconium Metal-Organic Frameworks Previous Next List William Morris, Boris Volosskiy, Selcuk Demir, Felipe Gándara, Psaras L. McGrier, Hiroyasu Furukawa, Duilio Cascio, J. Fraser Stoddart, and Omar M. Yaghi, Inorg. Chem., 2012, 51 (12), pp 6443-6445 DOI: 10.1021/ic300825s Abstract Image Abstract: Three new metal-organic

  14. The Preparation of an Ultrastable Mesoporous Cr(III)-MOF via Reductive

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Labilization | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome The Preparation of an Ultrastable Mesoporous Cr(III)-MOF via Reductive Labilization Previous Next List Lian, Xizhen; Feng, Dawei; Chen, Ying-Pin; Liu, Tian-Fu; Wang, Xuan; and Zhou, Hong-Cai. The Preparation of an Ultrastable Mesoporous Cr(III)-MOF via Reductive Labilization. Chem. Sci., 6, 7044-7048 (2015). DOI: 10.1039/c5sc02587g preparation.ultrastable Abstract: Kinetic labilization of the

  15. Topology-Guided Design and Syntheses of Highly Stable Mesoporous

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Porphyrinic Zirconium Metal-Organic Frameworks with High Surface Area | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Topology-Guided Design and Syntheses of Highly Stable Mesoporous Porphyrinic Zirconium Metal-Organic Frameworks with High Surface Area Previous Next List Tian-Fu Liu, Dawei Feng, Ying-Pin Chen, Lanfang Zou, Mathieu Bosch, Shuai Yuan, Zhangwen Wei, Stephen Fordham, Kecheng Wang, and Hong-Cai Zhou, J. Am. Chem. Soc. 137, 413-419 (2015) DOI:

  16. Tuning the Topology and Functionality of Metal-Organic Frameworks by

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Ligand Design | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Tuning the Topology and Functionality of Metal-Organic Frameworks by Ligand Design Previous Next List Dan Zhao, Daren J. Timmons, Daqiang Yuan, and Hong-Cai Zhou, Acc. Chem. Res., 2011, 44 (2), pp 123-133 DOI: 10.1021/ar100112y Abstract Image Abstract: Metal-organic frameworks (MOFs)-highly crystalline hybrid materials that combine metal ions with rigid organic ligands-have emerged as an

  17. MINEs: Open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics

    SciTech Connect (OSTI)

    Jeffryes, James G.; Colastani, Ricardo L.; Elbadawi-Sidhu, Mona; Kind, Tobias; Niehaus, Thomas D.; Broadbelt, Linda J.; Hanson, Andrew D.; Fiehn, Oliver; Tyo, Keith E. J.; Henry, Christopher S.

    2015-08-28

    Metabolomics have proven difficult to execute in an untargeted and generalizable manner. Liquid chromatography–mass spectrometry (LC–MS) has made it possible to gather data on thousands of cellular metabolites. However, matching metabolites to their spectral features continues to be a bottleneck, meaning that much of the collected information remains uninterpreted and that new metabolites are seldom discovered in untargeted studies. These challenges require new approaches that consider compounds beyond those available in curated biochemistry databases. Here we present Metabolic In silico Network Expansions (MINEs), an extension of known metabolite databases to include molecules that have not been observed, but are likely to occur based on known metabolites and common biochemical reactions. We utilize an algorithm called the Biochemical Network Integrated Computational Explorer (BNICE) and expert-curated reaction rules based on the Enzyme Commission classification system to propose the novel chemical structures and reactions that comprise MINE databases. Starting from the Kyoto Encyclopedia of Genes and Genomes (KEGG) COMPOUND database, the MINE contains over 571,000 compounds, of which 93% are not present in the PubChem database. However, these MINE compounds have on average higher structural similarity to natural products than compounds from KEGG or PubChem. MINE databases were able to propose annotations for 98.6% of a set of 667 MassBank spectra, 14% more than KEGG alone and equivalent to PubChem while returning far fewer candidates per spectra than PubChem (46 vs. 1715 median candidates). Application of MINEs to LC–MS accurate mass data enabled the identity of an unknown peak to be confidently predicted. MINE databases are freely accessible for non-commercial use via user-friendly web-tools at http://minedatabase.mcs.anl.gov and developer-friendly APIs. MINEs improve metabolomics peak identification as compared to general chemical databases whose results include irrelevant synthetic compounds. MINEs complement and expand on previous in silico generated compound databases that focus on human metabolism. We are actively developing the database; future versions of this resource will incorporate transformation rules for spontaneous chemical reactions and more advanced filtering and prioritization of candidate structures.

  18. Key Parameters Governing the Energy Density of Rechargeable Li/S Batteries

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Key Parameters Governing the Energy Density of Rechargeable Li/S Batteries Citation Details In-Document Search Title: Key Parameters Governing the Energy Density of Rechargeable Li/S Batteries Authors: Gao, Jie ; Abruña, Héctor D. Publication Date: 2014-03-06 OSTI Identifier: 1161939 DOE Contract Number: SC0001086 Resource Type: Journal Article Resource Relation: Journal Name: J. Phys. Chem. Lett.; Journal Volume: 5(5); Related Information: Emc2 partners

  19. The STEM Path to Antarctica

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    STEM skills Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue:May 2016 all issues All Issues » submit The STEM Path to Antarctica Nina Lanza, a staff scientist at the Laboratory realizes her dream of being a space scientist and hunts for space rocks at the ends of the earth March 1, 2016 Nina Lanza, a staff scientist on the ChemCam instrument team for the Curiosity Mars Rover, spent two month on the frozen glaciers with the Antarctica

  20. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Switch to Detail View for this search SciTech Connect Search Results Page 1 of 1 Search for: All records Creators/Authors contains: "Bi, Yuqiang" × Sort by Relevance Sort by Date (newest first) Sort by Date (oldest first) Sort by Relevance « Prev Next » Everything3 Electronic Full Text1 Citations2 Multimedia0 Datasets0 Software0 Filter Results Filter by Subject chem (1) containing (1) desulfovibrio vulgaris, mackinawite oxidation (1) dissolution (1) environmental molecular sciences

  1. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Switch to Detail View for this search SciTech Connect Search Results Page 1 of 1 Search for: All records Creators/Authors contains: "Lee, Jun -Sik" × Sort by Relevance Sort by Date (newest first) Sort by Date (oldest first) Sort by Relevance « Prev Next » Everything3 Electronic Full Text1 Citations2 Multimedia0 Datasets0 Software0 Filter Results Filter by Subject bifeo3 (1) bimno3 (1) chem (1) ferrimagnetism (1) ferroelectric (1) materials science multiferroic (1) Filter by Author

  2. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Switch to Detail View for this search SciTech Connect Search Results Page 1 of 3 Search for: All records Creators/Authors contains: "Ward, Andrew" × Sort by Relevance Sort by Date (newest first) Sort by Date (oldest first) Sort by Relevance « Prev Select page number Go to page: 1 of 3 1 » Next » Everything30 Electronic Full Text2 Citations28 Multimedia0 Datasets0 Software0 Filter Results Filter by Subject chem (3) applied life sciences (2) basic biological sciences (2) design (2)

  3. Top 10 Things You Didn't Know About Los Alamos National Laboratory |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Los Alamos National Laboratory Top 10 Things You Didn't Know About Los Alamos National Laboratory December 13, 2013 - 1:36pm Addthis Los Alamos National Laboratory scientist Roger Wiens removes the laser safety plug on the ChemCam Mast Unit, selected for the Mars Science Laboratory rover, Curiosity. Wiens removes the plug (left), while scientist Bruce Barraclough sits at the command console (right). | Photo courtesy of LeRoy Sanchez, Los Alamos National Laboratory. Los

  4. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Switch to Detail View for this search SciTech Connect Search Results Page 2 of 3 Search for: All records Creators/Authors contains: "Ward, Andrew" × Sort by Relevance Sort by Date (newest first) Sort by Date (oldest first) Sort by Relevance « Prev Select page number Go to page: 2 of 3 2 » Next » Everything30 Electronic Full Text2 Citations28 Multimedia0 Datasets0 Software0 Filter Results Filter by Subject chem (3) applied life sciences (2) basic biological sciences (2) design (2)

  5. Time-dependent wave-packet quantum scattering study of the reactions D{sup -}+H{sub 2}{yields}H{sup -}+HD and H{sup -}+D{sub 2}{yields}D{sup -}+HD

    SciTech Connect (OSTI)

    Yao Li [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Department of Physics, Dalian Maritime University, Dalian 116026 (China); Ju Liping; Han Keli [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Chu Tianshu [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Institute for Computational Sciences and Engineering, Qingdao University, Qingdao 266071 (China)

    2006-12-15

    The cross sections of the title reactions were calculated as functions of collision energy in the range 0.2-2.4 eV on a potential energy surface of Panda and Sathyamurthy [J. Chem. Phys. 121, 9343 (2004)]. The calculated results with the Coriolis coupled method were found to be more consistent with the experimental ones than the centrifugal sudden approximation, thus suggesting that Coriolis coupling plays an important role in those reactions. A pronounced isotopic effect was also revealed and attributed to the significant difference of the effective potential barrier height in both reactions.

  6. Temperature and length scale dependence of hydrophobic effects and their possible implications for protein folding

    SciTech Connect (OSTI)

    Huang, David M.; Chandler, David

    2000-04-01

    The Lum-Chandler-Weeks theory of hydrophobicity [J. Phys. Chem. 103, 4570 (1999)] is applied to treat the temperature dependence of hydrophobic solvation in water. The application illustrates how the temperature dependence for hydrophobic surfaces extending less than 1nm differs significantly from that for surfaces extending more than 1nm. The latter is the result of water depletion, a collective effect, that appears at length scales of 1nm and larger. Due to the contrasting behaviors at small and large length scales, hydrophobicity by itself can explain the variable behavior of protein folding.

  7. LOS ALAMOS, N.M., January 15, 2013-Researchers from Los Alamos National

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    follows the 'Yellowknife Road' to Martian wet area January 15, 2013 Instrument confirms presence of gypsum and related minerals LOS ALAMOS, N.M., January 15, 2013-Researchers from Los Alamos National Laboratory and the French Space Agency have tracked a trail of minerals that point to the prior presence of water at the Curiosity rover site on Mars. Researchers from the Mars Science Laboratory's ChemCam team today described how the laser instrument aboard the Curiosity Rover-an SUV-sized vehicle

  8. State of Terengganu: A development plan for the petrochemical industry and its associated downstream industries. Final report

    SciTech Connect (OSTI)

    Not Available

    1987-01-08

    This study, conducted by Chem Systems, Inc., was funded by the U.S. Trade and Development Agency on behalf of Terengganu's State Economic Planning Unit. The main objectives of the report are to: (1) Identify and list all medium stream and downstream activities, including services in petrochemical industries, using natural gas-derived ethane, propane, and butane as main feedstock and other linkages; (2) List the various enterprises noted above that can be economically and viably established in Terengganu; (3) Identify and locate the various sites for the projects identified. This is volume 1 of 2 and it contains the Final Report.

  9. State of Terengganu: A development plan for the petrochemical industry and its associated downstream industries. Appendix. Export trade information

    SciTech Connect (OSTI)

    Not Available

    1987-02-01

    The study, conducted by Chem Systems, Inc., was funded by the U.S. Trade and Development Agency on behalf of Terengganu's State Economic Planning Unit. The main objectives of the report are to: (1) Identify and list all medium stream and downstream activities, including services in petrochemical industries, using natural gas-derived ethane, propane, and butane as main feedstock and other linkages; (2) List the various enterprises noted above that can be economically and viably established in Terengganu; (3) Identify and locate the various sites for the projects identified. This is volume 2 of 2 and it contains the Appendix.

  10. Research Highlight

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Comparison of Mixed-layer Heights from Airborne HSRL and WRF-Chem During CARES Download a printable PDF Submitter: Scarino, A. J., Science Systems and Applications, Inc. Area of Research: Aerosol Properties Working Group(s): Aerosol Life Cycle Journal Reference: Scarino AJ, MD Obland, JD Fast, SP Burton, RA Ferrare, CA Hostetler, LK Berg, B Lefer, C Haman, JW Hair, RR Rogers, C Butler, AL Cook, and DB Harper. 2014. "Comparison of mixed layer heights from airborne high spectral resolution

  11. Research Highlight

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    The Two Faces of Aerosols Download a printable PDF Submitter: Ovink, J., Pacific Northwest National Laboratory Area of Research: Cloud Processes Working Group(s): Cloud Life Cycle Journal Reference: Berg LK, M Shrivastava, RC Easter, JD Fast, EG Chapman, Y Liu, and RA Ferrare. 2015. "A New WRF-Chem Treatment for Studying Regional Scale Impacts of Cloud Processes on Aerosol and Trace Gases in Parameterized Cumuli." Geoscientific Model Development, 8, doi:10.5194/gmd-8-409-2015. A new

  12. Broadband extreme ultraviolet probing of transient gratings in vanadium dioxide

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sistrunk, Emily; Lawrence Livermore National Lab.; Grilj, Jakob; Ecole Polytechnique Federal de Lausanne; Jeong, Jaewoo; Samant, Mahesh G.; Gray, Alexander X.; Temple Univ. Philadelphia, PA; Drr, Hermann A.; Parkin, Stuart S. P.; et al

    2015-02-11

    Nonlinear spectroscopy in the extreme ultraviolet (EUV) and soft x-ray spectral range offers the opportunity for element selective probing of ultrafast dynamics using core-valence transitions (Mukamel et al., Acc. Chem. Res. 42, 553 (2009)). We demonstrate a step on this path showing core-valence sensitivity in transient grating spectroscopy with EUV probing. We study the optically induced insulator-to-metal transition (IMT) of a VO? film with EUV diffraction from the optically excited sample. The VO? exhibits a change in the 3p-3d resonance of V accompanied by an acoustic response. Due to the broadband probing we are able to separate the two features.

  13. PNA-peptide Assembly in a 3D DNA Nanocage at Room Temperature

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    PNA-peptide Assembly in a 3D DNA Nanocage at Room Temperature Authors: Flory, J.D., Shinde, S., Lin, S., Liu, Y., Yan, H., Ghirlanda, G., and Fromme, P. Title: PNA-peptide Assembly in a 3D DNA Nanocage at Room Temperature Source: J. Am. Chem. Soc. Year: 2013 Volume: 135 (18) Pages: 6985-6993 ABSTRACT: Proteins and peptides fold into dynamic structures that access a broad functional landscape, however, designing artificial polypeptide systems is still a great challenge. Conversely, DNA

  14. Photo of the Week: Laser Beats Rock | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Laser Beats Rock Photo of the Week: Laser Beats Rock April 8, 2013 - 5:28pm Addthis On August 5, 2012, the Curiosity rover touched down on the surface of Mars. The ChemCam instrument package, developed at Los Alamos National Laboratory, is a device mounted on the Mars Curiosity rover that uses two remote sensing instruments: the Laser-Induced Breakdown Spectrometer (LIBS) and a Remote Micro-Imager (RMI). The LIBS fires a powerful laser that determines chemical compositions of rock and soil

  15. Publications, 2010 | MIT-Harvard Center for Excitonics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    0 2010 Publications G. M. Akselrod, Y. R. Tischler, E. R. Young, D. G. Nocera, and V. Bulović, "Exciton-exciton annihilation in organic polariton microcavities," Physical Review B 82, 113106 (2010), DOI: 10.1103/PhysRevB.82.113106. E. Zimanyi and R. Silbey, "Unified treatment of incoherent and coherent energy transfer dynamics using classical electrodynamics," J. Chem. Phys. 133, 144107 (2010), DOI:10.1063/1.3488136. Y. Shirasaki, P.O. Anikeeva, J.R. Tischler, M.S. Bradley,

  16. MINEs: Open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jeffryes, James G.; Colastani, Ricardo L.; Elbadawi-Sidhu, Mona; Kind, Tobias; Niehaus, Thomas D.; Broadbelt, Linda J.; Hanson, Andrew D.; Fiehn, Oliver; Tyo, Keith E. J.; Henry, Christopher S.

    2015-08-28

    Metabolomics have proven difficult to execute in an untargeted and generalizable manner. Liquid chromatography–mass spectrometry (LC–MS) has made it possible to gather data on thousands of cellular metabolites. However, matching metabolites to their spectral features continues to be a bottleneck, meaning that much of the collected information remains uninterpreted and that new metabolites are seldom discovered in untargeted studies. These challenges require new approaches that consider compounds beyond those available in curated biochemistry databases. Here we present Metabolic In silico Network Expansions (MINEs), an extension of known metabolite databases to include molecules that have not been observed, but are likelymore » to occur based on known metabolites and common biochemical reactions. We utilize an algorithm called the Biochemical Network Integrated Computational Explorer (BNICE) and expert-curated reaction rules based on the Enzyme Commission classification system to propose the novel chemical structures and reactions that comprise MINE databases. Starting from the Kyoto Encyclopedia of Genes and Genomes (KEGG) COMPOUND database, the MINE contains over 571,000 compounds, of which 93% are not present in the PubChem database. However, these MINE compounds have on average higher structural similarity to natural products than compounds from KEGG or PubChem. MINE databases were able to propose annotations for 98.6% of a set of 667 MassBank spectra, 14% more than KEGG alone and equivalent to PubChem while returning far fewer candidates per spectra than PubChem (46 vs. 1715 median candidates). Application of MINEs to LC–MS accurate mass data enabled the identity of an unknown peak to be confidently predicted. MINE databases are freely accessible for non-commercial use via user-friendly web-tools at http://minedatabase.mcs.anl.gov and developer-friendly APIs. MINEs improve metabolomics peak identification as compared to general chemical databases whose results include irrelevant synthetic compounds. MINEs complement and expand on previous in silico generated compound databases that focus on human metabolism. We are actively developing the database; future versions of this resource will incorporate transformation rules for spontaneous chemical reactions and more advanced filtering and prioritization of candidate structures.« less

  17. Understanding Trends in CO2 adsorption in Metal-Organic Frameworks with

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Open-Metal Sites | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Understanding Trends in CO2 adsorption in Metal-Organic Frameworks with Open-Metal Sites Previous Next List Roberta Poloni, Kyuho Lee, Robert F. Berger, Berend Smit, and Jeffrey B. Neaton, J. Phys. Chem. Lett., 5, 861-865 (2014) DOI: 10.1021/jz500202x Abstract Image Abstract: Using van der Waals-corrected density functional theory and a local chemical bond analysis, we study and explain

  18. User Submitted Research Citations

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    User Submitted Research Citations User Submitted Research Citations Sort by: Default | Name | Date (low-high) | Date (high-low) | Source | Category Darmon Cover 02 02 2016 Chem Science 2015 cover page Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay February 2, 2016 | Author(s): Jonathan M. Darmon,a Neeraj Kumar,a Elliott B. Hulley,a Charles J. Weiss,a Simone Raugei,a R.

  19. Weigang Lu | Center for Gas SeparationsRelevant to Clean Energy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Technologies | Blandine Jerome Weigang Lu Previous Next List Lu Weigang Lu Assistant Research Scientist Department of Chemistry Texas A&M University Email: weigang.lu [at] mail.chem.tamu.edu Phone: 979-845-3216 PhD in Organic Chemistry, Sun Yat-Sen University, China EFRC Research My work focuses on Metal-Organic Frameworks (MOFs) and Porous Polymer Networks (PPNs) with permanent porosity. MOFs are highly crystalline inorganic-organic hybrids, and they are constructed by assembling metal

  20. What Are the Best Materials to Separate a Xenon/Krypton Mixture? | Center

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome What Are the Best Materials to Separate a Xenon/Krypton Mixture? Previous Next List Simon, Cory M.; Mercado, Rocio; Schnell, Sondre; Smit, Berend; and Haranczyk, Maciej. What Are the Best Materials To Separate a Xenon/Krypton Mixture? Chem. Mater., 27, 4459-4475 (2015). DOI: 10.1021/acs.chemmater.5b01475 what are the best Abstract: Accelerating progress in the discovery and deployment of advanced nanoporous materials

  1. Xizhen Lian | Center for Gas SeparationsRelevant to Clean Energy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Technologies | Blandine Jerome Xizhen Lian Previous Next List Lian PhD Student Department of Chemistry Texas A&M University Email: xizhen.lian [at] mail.chem.tamu.edu Phone: 979-587-4228 BS in Chemistry, Nankai University, China EFRC Research Metal-organic frameworks (MOFs) have been extensively studied over the past two decades due to their promising applications in storage, separation and conversion. Mesoporous MOF (mesoMOF) is an interesting type of MOF material with very large

  2. Zachary Perry | Center for Gas SeparationsRelevant to Clean Energy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Technologies | Blandine Jerome Perry Previous Next List Perry PhD Student Department of Chemistry Texas A&M University Email: Zachary.Perry [at] mail.chem.tamu.edu Phone: 979-845-3216 BS in Chemistry, University of Tennessee at Chattanooga EFRC Research Metal-organic polyhedra (MOPs) are discrete cages that can be thought of as engineered pores. New systems are being designed through the expansion of the list of transition metals used and the application of the knowledge gained from the

  3. 2008 Publications | Stanford Synchrotron Radiation Lightsource

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    8 Publications Journal Papers R. J. Abergel, M. C. Clifton, J. C. Pizarro, J. A. Warner, D. K. Shuh, R. K. Strong and K. N. Raymond, "The Siderocalin/Enterobactin Interaction: A Link between Mammalian Immunity and Bacterial Iron Transport", J. Am. Chem. Soc. 130, 11524 (2008) doi: 10.1021/ja803524w Y. Acremann, X. W. Yu, A. A. Tulapurkar, A. Scherz, V. Chembrolu, J. A. Katine, M. J. Carey, H. C. Siegmann and J. Stöhr, "An Amplifier Concept for Spintronics", Appl. Phys. Lett.

  4. 2010 Publications | Stanford Synchrotron Radiation Lightsource

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    10 Publications Journal Papers J. B. Aitken, E. A. Carter, H. Eastgate, M. J. Hackett, H. H. Harris, A. Levina, Y.-C. Lee, C.-l. Chen, B. Lai, S. Vogt and P. A. Lay, "Biomedical Applications of X-ray Absorption and Vibrational Spectroscopic Microscopies in Obtaining Structural Information from Complex Systems", Radiat. Phys. Chem. 79, 176 (2010) doi: 10.1016/j.radphyschem.2009.03.068 F. Aksoy, G. Akgul, Y. Ufuktepe and D. Nordlund, "Thickness Dependence of the L2,3 Branching Ratio

  5. Publications | ANSER Center | Argonne-Northwestern National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Publications Home > Publications 2012 2011 2010 Jin, S.; Zhang, J.; Schaller, R.D.; Rajh, T.; Wiederrecht, G. P.; "Ultrafast Charge Separation from Highly Reductive ZnTe/CdSe Type II Quantum Dots." J. Phys. Chem. Lett., 2012, 3, 2052. 10.1021/jz3008886 Rybtchinski, B.; Wasielewski, M. R. "Artificial Photosynthesis for Solar Energy Conversion." in Fundamentals of Materials for Energy and Environmental Sustainability, Eds. Ginley, D. S., Cahen, D. 2012., Materials Research

  6. Parallel Computation Chemistry Using Constraints: Final Report, LDRD 97-0301, Case 3504140000

    SciTech Connect (OSTI)

    Todd D. Plantenga

    1998-11-01

    Computer modeling to estimate material properties, design chem/bio sensors, and evaluate protein-protein interactions all require solving force field equations for molecular structures that contain tens of thousands of covalently connected atoms. Potential energy minimization is a key step in the calculation, but stiff covalent bonding forces make optimization difficult and expensive. This two-year LDRD developed two classes of advanced minimization algorithms that were specialized for chemistry applications and distributed computing machines. The project led to two successful algorithms that were implemented in three Sandia computational chemistry codes to support various users.

  7. Curiosity rover zaps Mars for life signs

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Curiosity rover zaps Mars for life signs Mars rover depends on three LANL technologies Curiosity zaps Mars for vital signs: Designed by Lab team, ChemCam looks for crucial elements such as carbon, nitrogen and oxygen. July 30, 2012 Curiosity rover zapping rocks on Mars Power up! The third part of the "LANL Visits Mars" trio is an essential component of the heat-producing Multi-Mission Radioisotope Thermoelectric Generator unit. It powers the rover and keeps the instruments from

  8. Modular Automated Processing System (MAPS) for analysis of biological samples.

    SciTech Connect (OSTI)

    Gil, Geun-Cheol; Chirica, Gabriela S.; Fruetel, Julia A.; VanderNoot, Victoria A.; Branda, Steven S.; Schoeniger, Joseph S.; Throckmorton, Daniel J.; Brennan, James S.; Renzi, Ronald F.

    2010-10-01

    We have developed a novel modular automated processing system (MAPS) that enables reliable, high-throughput analysis as well as sample-customized processing. This system is comprised of a set of independent modules that carry out individual sample processing functions: cell lysis, protein concentration (based on hydrophobic, ion-exchange and affinity interactions), interferent depletion, buffer exchange, and enzymatic digestion of proteins of interest. Taking advantage of its unique capacity for enclosed processing of intact bioparticulates (viruses, spores) and complex serum samples, we have used MAPS for analysis of BSL1 and BSL2 samples to identify specific protein markers through integration with the portable microChemLab{trademark} and MALDI.

  9. Ethane from associated gas still the most economical

    SciTech Connect (OSTI)

    Farry, M.

    1998-06-08

    Ethane extracted from associated gas is one of the cheapest ways to produce ethylene. This is the conclusion reached by a set of recent studies on natural gas processing and conversion published by Chem Systems Ltd. Ethane cracking usually requires a large gas project for ethane to be produced in sufficient quantity for a world-scale cracker, limiting the number of cases where this is feasible. Ethane extracted from LNG plants is an alternative source of cracker feedstock. Although more costly, gas-to-olefins technology is a potential alternative to ethane cracking.

  10. Untitled

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and Terry M. Bricker Bellamy, Jost S. Goettert, Patrick A. Limbach Laurie K. Frankel, Larry Sallans, Henry PHOTOSYSTEM WATER CHANNELS WITHIN THE IDENTIFICATION OF PUTATIVE Plants: EXPERIMENTAL Surfaces in Photosystem II of Higher Radiolytic Mapping of Solvent-Contact Bioenergetics: doi: 10.1074/jbc.M113.487033 originally published online June 28, 2013 2013, 288:23565-23572. J. Biol. Chem. 10.1074/jbc.M113.487033 Access the most updated version of this article at doi: . JBC Affinity Sites Find

  11. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Switch to Detail View for this search SciTech Connect Search Results Page 1 of 1 Search for: All records Creators/Authors contains: "Mikutta, Christian" × Sort by Relevance Sort by Date (newest first) Sort by Date (oldest first) Sort by Relevance « Prev Next » Everything10 Electronic Full Text0 Citations10 Multimedia0 Datasets0 Software0 Filter Results Filter by Subject chem (2) env (1) Filter by Author Mikutta, Christian (10) Kretzschmar, Ruben (5) Mandaliev, Petar N. (3)

  12. Sisters in Science | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Sisters in Science Twin sisters, best friends support each other in science education, careers Is your sister like a best friend? Is your best friend like a sister? Can she help you with your chem lab? "All of these things," said Emma and Molly White and Ru-Shyan and Ru-Huey Yen, a pair of twin sisters and close friends who met in high school 16 years ago. Flash forward to today, and the four all have science-based careers. Emma White is a materials scientist here at Ames Laboratory,

  13. DNA origami: A quantum leap for self assembly of complex structures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    DNA origami: A quantum leap for self assembly of complex structures Authors: Tørring, T., Voigt, N.V., Nangreave, J., Yan, H., and Gothelf, K.V. Title: DNA origami: A quantum leap for self assembly of complex structures Source: Chem. Soc. Rev. Year: 2011 Volume: 40 Pages: 5636 - 5646 ABSTRACT: The spatially controlled positioning of functional materials by self-assembly is one of the fundamental visions of nanotechnology. Major steps towards this goal have been achieved using DNA as a

  14. DOE and HBCU MOU FINAL NR.doc

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Scientific and Technical Information "Curiosity" R&D U.S. Department of Energy laboratories and their researchers are helping keep the Mars Science Laboratory "Curiosity" rover functioning on Mars for the next 23 months. Search the DOE's Energy Citations Database and other DOE Collections to learn more about some of the research that makes this mission possible. Learn more about ChemCam, the MMRTG, Signs of Life, and Beyond Curiosity in the white paper Department of

  15. Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene

    SciTech Connect (OSTI)

    Gao, Xingfa; Jiang, Deen; Zhang, Prof. Shengbai; Chen, Zhongfang; Miller, Glen; Hodgson, Jennifer

    2011-01-01

    The electronic ground states of the recently synthesized stable nonacene derivatives (J. Am. Chem. Soc.2010, 132, 1261) are open-shell singlets with a polyradical nature instead of closed-shell singlets as originally assumed, according to the unrestricted broken spin-symmetry density functional theory (UBS-DFT) computations (at B3LYP/6-31G*). It is the bulky protecting groups, not the transfer from the open-shell singlet to closed-shell singlet ground state, that stabilizes these longest characterized acenes. Similar analyses also confirmed the open-shell singlet character of the hexacene and teranthene derivatives.

  16. Comparing Galactic Center MSSM dark matter solutions to the Reticulum II gamma-ray data

    SciTech Connect (OSTI)

    Achterberg, Abraham; Beekveld, Melissa van; Beenakker, Wim; Caron, Sascha; Hendriks, Luc

    2015-12-04

    Observations with the Fermi Large Area Telescope (LAT) indicate a possible small photon signal originating from the dwarf galaxy Reticulum II that exceeds the expected background between 2 GeV and 10 GeV. We have investigated two specific scenarios for annihilating WIMP dark matter within the phenomenological Minimal Supersymmetric Standard Model (pMSSM) framework as a possible source for these photons. We find that the same parameter ranges in pMSSM as reported by an earlier paper to be consistent with the Galactic Center excess, are also consistent with the excess observed in Reticulum II, resulting in a J-factor of log{sub 10} (J(α{sub int}=0.5{sup ∘}))≃(20.3−20.5){sub −0.3}{sup +0.2} GeV{sup 2}cm{sup −5}. This J-factor is consistent with log{sub 10} (J(α{sub int}=0.5{sup ∘}))=19.6{sub −0.7}{sup +1.0} GeV{sup 2}cm{sup −5}, which was derived using an optimized spherical Jeans analysis of kinematic data obtained from the Michigan/Magellan Fiber System (M2FS)

  17. Microsoft PowerPoint - HAB1111-Dowellfinalnobu.pptx

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    fe a n d E ff e c ti v e C le a n u p th a t P ro te c ts th e C o lu m b ia R iv e r ¾ Re du ce s th e Ac tiv e Sit e Fo ot pr int of Cl ea nu p to 75 Sq ua re Mi les (5 86 to 75 ) ¾ Sig ni fic an tly Re du ce s Lo ng -T erm Mo rtg ag e Co st s ¾ At Co m pl eti on , Sh ift s Em ph as is an d Re so ur ce s to Fu ll of th e Ce nt ra l Pla tea u (7 5 sq ua re m ile s) ¾ Re du ce s Co st s by "R i Mi ss io Ri ch la nd O pe ra tio ns Of fic e B & C Ar ea 9 Inte rim Saf e Sto rag e f 9 N

  18. Survival and distribution of Vibrio cholerae in a tropical rain forest stream

    SciTech Connect (OSTI)

    Perez-Rosas, N.; Hazen, T.C.

    1988-12-31

    For 12 months Vibrio cholerae and fecal coliforms were monitored along with 9 other water quality parameters at 12 sites in a rain forest watershed in Puerto Rico. Densities of V. cholerae and fecal coliforms were not significantly correlated even though the highest densities of both bacteria were found at a sewage outfall. High densities of V. cholerae were also found at pristine sites high in the watershed. V. cholerae and Escherichia coli were inoculated into membrane diffusion chambers, placed at two sites and monitored for 5 days on two different occasions. Two different direct count methods indicated that the density of E. coli and V. cholerae did not change significantly during the course of either study. Physiological activity, as measured by INT-reduction and relative nucleic acid composition declined for E. coli during the first 12 h then increased and remained variable during the remainder of the study. V. cholerae activity, as measured by relative nucleic acid concentrations, remained high and unchanged for the entire study. INT-reduction in V. cholerae declined initially but regained nearly all of it`s original activity within 48 h. This study suggests that V. cholerae is an indigenous organism in tropical freshwaters and that assays other than fecal coliforms or E. coli must be used for assessing public health risk in tropical waters.

  19. Supporting 64-bit global indices in Epetra and other Trilinos packages : techniques used and lessons learned.

    SciTech Connect (OSTI)

    Jhurani, Chetan; Austin, Travis M.; Heroux, Michael Allen; Willenbring, James Michael

    2013-06-01

    The Trilinos Project is an effort to facilitate the design, development, integration and ongoing support of mathematical software libraries within an object-oriented framework. It is intended for large-scale, complex multiphysics engineering and scientific applications [2, 4, 3]. Epetra is one of its basic packages. It provides serial and parallel linear algebra capabilities. Before Trilinos version 11.0, released in 2012, Epetra used the C++ int data-type for storing global and local indices for degrees of freedom (DOFs). Since int is typically 32-bit, this limited the largest problem size to be smaller than approximately two billion DOFs. This was true even if a distributed memory machine could handle larger problems. We have added optional support for C++ long long data-type, which is at least 64-bit wide, for global indices. To save memory, maintain the speed of memory-bound operations, and reduce further changes to the code, the local indices are still 32-bit. We document the changes required to achieve this feature and how the new functionality can be used. We also report on the lessons learned in modifying a mature and popular package from various perspectives - design goals, backward compatibility, engineering decisions, C++ language features, effects on existing users and other packages, and build integration.

  20. Electroactive-Zone Extension in Flow-Battery Stacks

    SciTech Connect (OSTI)

    Smith, KC; Brunini, VE; Dong, YJ; Chiang, YM; Carter, WC

    2014-11-20

    Flowable suspensions that conduct both electrons and ions can enable the use of energy-dense electroactive species in flow batteries [M. Duduta et al., Adv. Energy Mater., 1, 511 (2011); Z. Li et al., Phys. Chem. Chem. Phys., 15, 15,833 (2013); F. Fan et al., Nano Lett., 14, 2210 (2014)]. In comparison with conventional flow batteries where electrochemical reactions are confined to a fixed current-collector region, electronically conductive flow electrodes permit electrochemical reactions to extend outside of the physical confines of the stack. We have measured and modeled how mixed-conduction enables an electroactive zone (EAZ, in which electrochemical reactions occur) that is of greater spatial extent than current collectors, the extension being termed side zone, SZ. Electrochemical reactions in SZs can reduce coulombic and energetic efficiency. Here we show that for realistic suspension properties and operating conditions, the added inefficiency is small in practice, and can be further mitigated by using appropriate operating conditions and/or materials choices. For the specific example of a non-aqueous Li4Ti5O12 suspension, we show that EAZ extension contributes less than 1% additional efficiency loss at C/10 rates for current collectors greater than 20 mm long. (C) 2014 Elsevier Ltd. All rights reserved.