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Sample records for angew chem int

  1. Photochromic Metal-Organic Frameworks: Reversible Control of...

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

    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....

  2. 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...

  3. Atmos. Chem. Phys.,

    Office of Scientific and Technical Information (OSTI)

    ... organ- ics, through activity coefficients ... i.e., the chem- ical and physical processes that change ... all other stations were measuring for about a month or less. ...

  4. 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...

  5. "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...

  6. 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...

  7. 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...

  8. Slide 1

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

    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...

  9. 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...

  10. Atmos. Chem. Phys., 16, 5853-5866, ...

    Office of Scientific and Technical Information (OSTI)

    ... Model study of the cross-tropopause transport of biomass burning pollution, Atmos. Chem. ... production of atomic nitrogen and oxygen by relativistic proton impact in air, J. Chem. ...

  11. The Organic Chemistry of Conducting Polymers:

    Office of Scientific and Technical Information (OSTI)

    ... Rev. 2009, 38, 671-683; (o) Palmans, A.R.A.; Meijer, E.W. Angew. Chem. Int. Ed. 2007, 46, 8948-8968; (p) Smith, D.K. Chem. Soc. Rev. 2009, 38, 684-694; n. Brizard, A.; Oda, R.; ...

  12. 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...

  13. 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 ... Symp. on SHN, Texas A&M Univ., March 31 - April 2, 2015 A. Sobiczewski NCBJ - Warsaw, GSI ...

  14. 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

  15. 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

  16. 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...

  17. 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...

  18. 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 ...

  19. 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.

  20. 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

  1. 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 Int'l Smart Grid Action Network (119.44 KB) 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)

  2. 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 Alumni Link: Opportunities, News and Resources for Former Employees Latest Issue:September 2015 all issues All Issues » submit 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. July 1, 2015 Yellowjacket is the first rock targeted by

  3. 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

  4. 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.

  5. 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:...

  6. Curiosity Mars Rover's ChemCam | Department of Energy

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

    Curiosity Mars Rover's ChemCam Curiosity Mars Rover's ChemCam Addthis 1 of 4 Jean-Luc Lacour, an engineer at CEA France, created this artistic rendering of the ChemCam back in 2004. Looking at rocks and soil from a distance, ChemCam fires a high-powered laser to analyze the composition of vaporized materials from areas smaller than 1 millimeter on the surface of Martian rocks and soil as part of NASA's Curiosity rover mission. Image: NASA/JPL-Caltech/Los Alamos National Lab (LANL)/ J.-L. Lacour,

  7. 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

  8. 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 +...

  9. 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...

  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 is having a blast on Mars

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

    ChemCam Is Having A Blast On Mars Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue: September 1, 2016 all issues All Issues » submit ChemCam is having a blast on Mars Following the successful landing of the Mars rover Curiosity on August 5, Lab scientists and their French counterparts have already begun firing its onboard laser and collecting data. September 1, 2012 dummy image Read our archives Contacts Editor Linda Anderman Email

  12. 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

  13. Slide 1

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

    Capture and Release of Guest Molecules by Optical Responsive Metal-Organic Polyhedra (MOP) Jinhee Park, Lin-Bing Sun, Ying-Pin Chen, Zachary Perry, and Hong-Cai Zhou, Angew. Chem. Int. Ed. 53, 5842 (2014) Scientific Achievement An optical responsive switch for molecular capture and release was synthesized by functionalizing a MOP with azobenzene groups. Significance and Impact It provides a new direction in the diversifying field of MOPs, a possible way for molecular transport, whilst laying the

  14. 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.

  15. 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.

  16. 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 ...

  17. 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...

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

    Office of Scientific and Technical Information (OSTI)

    Conference: ChemCam contributions to the Lunar and Planetary Science Conference Citation Details In-Document Search Title: ChemCam contributions to the Lunar and Planetary Science ...

  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 Sandia’s 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 | Department

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

    of Energy Laser-Firing ChemCam Vital to Curiosity Rover's Tour of Mars Laser-Firing ChemCam Vital to Curiosity Rover's Tour of Mars March 6, 2014 - 2:00pm Addthis 1 of 4 Jean-Luc Lacour, an engineer at CEA France, created this artistic rendering of the ChemCam back in 2004. Looking at rocks and soil from a distance, ChemCam fires a high-powered laser to analyze the composition of vaporized materials from areas smaller than 1 millimeter on the surface of Martian rocks and soil as part of

  3. OSTIblog Articles in the ChemCam Topic | OSTI, US Dept of Energy Office of

    Office of Scientific and Technical Information (OSTI)

    Scientific and Technical Information ChemCam Topic Mars Science Laboratory Curiosity - ChemCam by Dr. William Watson 12 Sep, 2012 in Science Communications 4265 Caltech.png Mars Science Laboratory Curiosity - ChemCam Read more about 4265 How do you run chemical tests at a geologic site millions of miles away from you to see what the rocks and soil are made of? Curiosity's new instrument ChemCam, developed at Los Alamos National Laboratory, is designed to determine how much light is emitted

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

    Office of Scientific and Technical Information (OSTI)

    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 ...

  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. 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 ...

  7. ChemCam contributions to the Lunar and Planetary Science Conference

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect Conference: ChemCam contributions to the Lunar and Planetary Science Conference Citation Details In-Document Search 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] ; Bridges, J. [6] ; Clegg, Samuel M. [3] ; Cousin, A. [1] ; Dietrich, W. [7] ; Dromart, G. [8] ; Gupta, S. [9] ; Lewin, E. [10] ; Fabre, C. [11] ; Gasnault, O. [1] ; Herkenhoff,

  8. 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

  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. 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

  11. ChemCam findings hint at oxygen-rich past on Mars

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

    ChemCam findings hint at oxygen-rich past on Mars ChemCam findings hint at oxygen-rich past on Mars The discovery of manganese oxides in Martian rocks might tell us that the Red Planet was once more Earth-like than previously believed. June 27, 2016 The Curiosity rover examines the Kimberley formation in Gale crater, Mars. In front of the rover are two holes from the rover's sample-collection drill and several dark-toned features that have been cleared of dust (see inset images). These flat

  12. 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.

  13. 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 rock that was placed in the laser's crosshairs last weekend.Much to the delight of - 2 - the scientific team, the laser

  14. 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.

  15. Mixed waste treatment using the ChemChar thermolytic detoxification technique

    SciTech Connect (OSTI)

    Kuchynka, D.

    1995-10-01

    The diversity of mixed waste matrices contained at Department of Energy sites that require treatment preclude a single, universal treatment technology capable of handling sludges, solids, heterogeneous debris, aqueous and organic liquids and soils. This report describes the ChemChar thermolytic detoxification process. The process is a thermal, chemically reductive technology that converts the organic portion of mixed wastes to a synthesis gas, while simultaneously absorbing volatile inorganics on a carbon-based char.

  16. 2013 DOE Bioenergy Technologies Office (BETO) Project Peer Review BioChemCat

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

    Project Peer Review BioChemCat Date: April 21, 2013 Technology Area Review: Gasification Principal Investigator: Birgitte K. Ahring, PhD Organization: Washington State University A partnership between the Port of Benton, WSU, CleanVantage, LLC and PNNL Project holder, Delivery of biomass feedstocks, Public Education & Outreach Research Lead, Pilot plant operations, Analytical Testing & Public Education & Outreach IP Holder, Pretreatment, Fermentation, Low/Moderate Severity Lignin

  17. 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)

  18. 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

  19. 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....

  20. Microsoft PowerPoint - Datskos_2015_UserProjectHighlight_AngewChemie

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    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)...

  1. 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 ...

  2. 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}.

  3. 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.

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. Representation of the Community Earth System Model (CESM1) CAM4-chem within the Chemistry-Climate Model Initiative (CCMI)

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

    Tilmes, Simone; Lamarque, Jean -Francois; Emmons, Louisa K.; Kinnison, Doug E.; Marsh, Dan; Garcia, Rolando R.; Smith, Anne K.; Neely, Ryan R.; Conley, Andrew; Vitt, Francis; et al

    2016-05-20

    The Community Earth System Model (CESM1) CAM4-chem has been used to perform the Chemistry Climate Model Initiative (CCMI) reference and sensitivity simulations. In this model, the Community Atmospheric Model version 4 (CAM4) is fully coupled to tropospheric and stratospheric chemistry. Details and specifics of each configuration, including new developments and improvements are described. CESM1 CAM4-chem is a low-top model that reaches up to approximately 40 km and uses a horizontal resolution of 1.9° latitude and 2.5° longitude. For the specified dynamics experiments, the model is nudged to Modern-Era Retrospective Analysis for Research and Applications (MERRA) reanalysis. We summarize the performance ofmore » the three reference simulations suggested by CCMI, with a focus on the last 15 years of the simulation when most observations are available. Comparisons with selected data sets are employed to demonstrate the general performance of the model. We highlight new data sets that are suited for multi-model evaluation studies. Most important improvements of the model are the treatment of stratospheric aerosols and the corresponding adjustments for radiation and optics, the updated chemistry scheme including improved polar chemistry and stratospheric dynamics and improved dry deposition rates. These updates lead to a very good representation of tropospheric ozone within 20 % of values from available observations for most regions. In particular, the trend and magnitude of surface ozone is much improved compared to earlier versions of the model. Furthermore, stratospheric column ozone of the Southern Hemisphere in winter and spring is reasonably well represented. In conclusion, all experiments still underestimate CO most significantly in Northern Hemisphere spring and show a significant underestimation of hydrocarbons based on surface observations.« less

  10. The Department of Energy's Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc., OAS-RA-13-10

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

    Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc. OAS-RA-13-10 February 2013 Department of Energy Washington, DC 20585 February 8, 2013 MEMORANDUM FOR THE UNDER SECRETARY OF ENERGY FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION: Special Report on "The Department of Energy's Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc." BACKGROUND The Department of Energy's Vehicle Technologies Program was

  11. Note: Derivation of two-photon circular dichroism—Addendum to “Two-photon circular dichroism” [J. Chem. Phys. 62, 1006 (1975)

    SciTech Connect (OSTI)

    Friese, Daniel H.

    2015-09-07

    This addendum shows the detailed derivation of the fundamental equations for two-photon circular dichroism which are given in a very condensed form in the original publication [I. Tinoco, J. Chem. Phys. 62, 1006 (1975)]. In addition, some minor errors are corrected and some of the derivations in the original publication are commented.

  12. 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...

  13. 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...

  14. 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

  15. 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

  16. 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

  17. 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...

  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

  19. 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.

  20. 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

  1. 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

  2. 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 ...

  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. IntDataRevs.doc

    Gasoline and Diesel Fuel Update (EIA)

    ... 0.11 -0.29 -0.95 -0.88 -0.67 Nonutility Coal-Fired Generation (BKwh) New Basis 30.12 34.41 ... Demand Lease and Plant Fuel 1.07 1. 24 1 . 1 3 1.17 1. 17 1 . 1 2 1.22 1.25 1. 20 1 . 1 ...

  5. 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...

  6. 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

  7. 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...

  8. 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.

  9. Atmos. Chem. Phys., 16, 4967-4986, ...

    Office of Scientific and Technical Information (OSTI)

    ... to source regions, impacting trans- portation (road vehicles and airports), military operations and photovoltaic energy production (see, e.g., Schroedter- Homscheidt et al., 2013). ...

  10. Atmos. Chem. Phys., 16, 4283-4305, ...

    Office of Scientific and Technical Information (OSTI)

    ... et al., 2007; Kang et al., 2007, 2011; Smith et al., 2009; Mas- soli etal., 2010; ... from a local excited state (Phillips and Smith, 2015), which is likely to result in low ...

  11. Atmos. Chem. Phys., 16, 5427-5451, ...

    Office of Scientific and Technical Information (OSTI)

    ... C., Docherty, K. S., Ulbrich, I. M., Grieshop, A. P., Robinson, A. L., Duplissy, J., Smith, J. D., Wil- son, K. R., Lanz, V A., Hueglin, C., Sun, Y. L., Tian, J., Laak- sonen, ...

  12. Atmos. Chem. Phys., 16, 5203-5227, ...

    Office of Scientific and Technical Information (OSTI)

    ... Meteorol., 6, 129- 150, 1974. Betts, A.: Chapter 4 The Physics and Parameterization of Moist Atmospheric Convection, in: Trade Cumulus: Observations and Modeling, edited by: Smith, ...

  13. 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......

  14. Atmos. Chem. Phys., 16, 3449-3462, ...

    Office of Scientific and Technical Information (OSTI)

    ... Phys., 13, 11187-11194, doi:10.5194acp-13-11187-2013,2013. Seinfeld, J. H. and Pandis, S. N.: Atmospheric chemistry and physics: from air pollution to climate change, John Wiley ...

  15. Atmos. Chem. Phys., 16, 715-738, ...

    Office of Scientific and Technical Information (OSTI)

    ... Phys., 15, 1633- 1646, doi:10.5194acp-15-1633-2015, 2015. Seinfeld, J. H. and Pandis, S. N.: Atmospheric Chemistry and Physics: From Air Pollution to Climate Change, John Wiley ...

  16. Atmos. Chem. Phys., 16, 2611-2629, ...

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

    ... The narrower range of AIDA efficien- cies reinforces this point: this spectrum describes ... The range of efficien- cies is limited when there is no competition for water vapor ...

  17. 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 ...

  18. 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...

  19. 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...

  20. Spatial and temporal variations of new particle formation in East Asia using an NPF-explicit WRF-chem model: North-south contrast in new particle formation frequency

    SciTech Connect (OSTI)

    Matsui, H.; Koike, Makoto; Takegawa, Nobuyuki; Kondo, Yutaka; Takami, A.; Takamura, T.; Yoon, Soh-joung; Kim, S. W.; Lim, Hyuntae; Fast, Jerome D.

    2013-10-27

    The new particle formation (NPF)-explicit version of the WRF-chem model, which we developed recently, can calculate the growth and sink of nucleated clusters explicitly with 20 aerosol size bins from 1 nm to 10 μm. In this study, the model is used to understand spatial and temporal variations of the frequency of NPF events and the concentrations of aerosols (condensation nuclei, CN) and cloud condensation nuclei (CCN) within the boundary layer in East Asia in spring 2009. Model simulations show distinct north-south contrast in the frequency and mechanism of NPF in East Asia. NPF mostly occurred over limited periods and regions between 30° and 45°N, such as northeast China, Korea, and Japan, including regions around active volcanoes (Miyakejima and Sakurajima). At these latitudes, NPF was considerably suppressed by high concentrations of preexisting particles under stagnant air conditions associated with high-pressure systems, while nucleation occurred more extensively on most days during the simulation period. Conversely, neither nucleation nor NPF occurred frequently south of 30°N because of lower SO2 emissions and H2SO4 concentrations. The period-averaged NPF frequency was 3 times higher at latitudes of 30° - 45°N than at latitudes of 20° - 30°N. The north-south contrast of NPF frequency is validated by surface measurements in outflow regions in East Asia. The period- and domain-averaged contribution of secondary particles is estimated to be 44% for CN (> 10 nm) and 26% for CCN at a supersaturation of 1.0% in our simulation, though the contribution is highly sensitive to the magnitudes and size distributions of primary aerosol emissions and the coefficients in the nucleation parameterizations.

  1. 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 0.7–0.9 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 NO

  2. 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...

  3. Journal Name

    Office of Scientific and Technical Information (OSTI)

    ... B, 2009, 79, 014301. 43. Y. Duan and D. C. Sorescu, J. Chem. Phys., 2010, 133, 074508. 44. Y. Duan, D. Luebke and H. W. Pennline, Int. J. Clean Coal Energy, 2012, 1, 1-11. This ...

  4. 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

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

    Office of Environmental Management (EM)

  6. Microsoft Word - Int_blends_Rpt1_Updated.doc

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

    TP-540-43543 ORNL/TM-2008/117 Effects of Intermediate Ethanol Blends on Legacy Vehicles and Small Non-Road Engines, Report 1 - Updated February 2009 Prepared by Keith Knoll Brian West Wendy Clark Ronald Graves John Orban Steve Przesmitzki Timothy Theiss DOCUMENT AVAILABILITY Reports produced after January 1, 1996, are generally available free via the U.S. Department of Energy (DOE) Information Bridge. Web site http://www.osti.gov/bridge Reports produced before January 1, 1996, may be purchased

  7. Chemical Pre‐Procurement (ChemPro) Application

    Broader source: Energy.gov [DOE]

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

  8. 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....

  9. 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 12/15/2012 DE-NT0005679 Goal The goal of this project is to design efficient chemical flooding processes that are necessary for independent oil producers to make an informed assessment for implementation of a pilot or demonstration project. Performer University of Kansas Center for Research, Lawrence, Kan. Collaborators Nine independent oil companies that produce oil from ten Kansas fields are providing data

  10. 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.

  11. ChemCam data abundant at Planetary Conference

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

    can sample Martian rocks and provide critical clues about the Red Planet's habitability. ... rocks and provide critical clues about the Red Planet's habitability. (Credit: Los Alamos ...

  12. 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...

  13. CHEM.PLANT.ADMIN.REC.100.101.01.PDF

    Office of Legacy Management (LM)

    ... These activities include the monitoring of surface water, groundwater, radon, gamma ... . . . . . . . . . . . . . 6 2.2.1 Surface Water . . . . . . . . . . . . . . . . . . . . . ...

  14. 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...

  15. 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...

  16. ChemCam laser first analyses yield beautiful results

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

    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 ...

  17. 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...

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

    Office of Scientific and Technical Information (OSTI)

    ... Systems Dpto. de Geologia, Universidad de Alcala, 28871 Madrid, Spain University of Winnipeg Arizona State University California Institute of Technology Washington Univ. in St. ...

  19. 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...

  20. 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...

  1. 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 ...

  2. 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...

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

    Office of Legacy Management (LM)

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

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

    National Laboratory. | Photo courtesy of NASAJPL-CaltechMSSS This self-portrait of ... National Laboratory. | Photo courtesy of NASAJPL-CaltechMSSS Matt Dozier Matt Dozier ...

  5. 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...

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

    Office of Scientific and Technical Information (OSTI)

    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 ...

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

    Office of Scientific and Technical Information (OSTI)

    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 ...

  8. 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...

  9. 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 ...

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

    Office of Legacy Management (LM)

    ... quench scrubber, a submicron aerosol scrubber, a nitrogen oxide gas removal system, ... Particulate emissions must not exceed 180 mgdscm (dry standard cubic meter) or 0.008 gr...

  11. 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.

  12. Comment on "Radicalicity: A scale to compare reactivities of radicals" (Chem. Phys. Lett. 618 (2015) 99-101)*

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

    Poutsma, Marvin L.

    2016-04-21

    The recently proposed term radicalicity was described as a measure of the reactivity of a free radical Q*, i.e., a kinetic quantity. Here it is shown that in fact it is simply a frame-shifted version of the well-known bond dissociation energy, a thermodynamic quantity. Hence its use is discouraged.

  13. Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction

    SciTech Connect (OSTI)

    Pastorczak, Ewa; Prlj, Antonio; Corminboeuf, Clémence; Gonthier, Jérôme F.

    2015-12-14

    We introduce an intramolecular energy decomposition scheme for analyzing non-covalent interactions within molecules in the spirit of symmetry-adapted perturbation theory (SAPT). The proposed intra-SAPT approach is based upon the Chemical Hamiltonian of Mayer [Int. J. Quantum Chem. 23(2), 341–363 (1983)] and the recently introduced zeroth-order wavefunction [J. F. Gonthier and C. Corminboeuf, J. Chem. Phys. 140(15), 154107 (2014)]. The scheme decomposes the interaction energy between weakly bound fragments located within the same molecule into physically meaningful components, i.e., electrostatic-exchange, induction, and dispersion. Here, we discuss the key steps of the approach and demonstrate that a single-determinant wavefunction can already deliver a detailed and insightful description of a wide range of intramolecular non-covalent phenomena such as hydrogen bonds, dihydrogen contacts, and π − π stacking interactions. Intra-SAPT is also used to shed the light on competing intra- and intermolecular interactions.

  14. 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)

  15. 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...

  16. Slide 1

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    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...

  17. Biographical sketch - Giovanna Ghirlanda | Center for Bio-Inspired...

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

    Simultaneous Observation of Peptide Backbone Lipid Solvation and -Helical Structure by Deep-UV Resonance Raman Spectroscopy. Chem. Bio. Chem. 12, 2125-2128. Ghirlanda, G. (2009) ...

  18. 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.

  19. Important LANL Directions and Contacts

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

  20. 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%...

  1. 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).

  2. 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,...

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

    Office of Scientific and Technical Information (OSTI)

    ChemCam Topic Mars Science Laboratory Curiosity - ChemCam by Dr. William Watson 12 Sep, 2012 in Science Communications NASAJPL-Caltech How do you run chemical tests at a geologic ...

  4. 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 ...

  5. Template for Electronic Submission to ACS Journals

    Office of Scientific and Technical Information (OSTI)

    ... Soc. 2003, 125, 13944-13945. (18) Littke, A. F.; Dai, C.; Fu, G. C. J. Am. Chem. Soc. 2000, 122, 4020-4028. (19) Hartwig, J. F. Inorg. Chem. 2007, 46, 1936-1947. (20) The end ...

  6. I:PRCXFERZYSK9105691056R0F.PDF

    Office of Scientific and Technical Information (OSTI)

    ... and Godfrey (1937; 1939) and extensively developed by Birch and Smith (1950; 1958). ... Birth, 1951. J. Chem. Soc., 1945. Birth and Smith, 1950. Q. Rev. Chem. Soc., 4, 69; 1958. ...

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

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

    ...ultifunctionalization of Covalent Organic Polymers for Enhanced Carbon Capture. J. Amer. Chem. ... (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially ...

  8. Maciej Haranczyk | Center for Gas SeparationsRelevant to Clean...

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

    ...ultifunctionalization of Covalent Organic Polymers for Enhanced Carbon Capture. J. Amer. Chem. ... (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially ...

  9. 4265 | OSTI, US Dept of Energy Office of Scientific and Technical

    Office of Scientific and Technical Information (OSTI)

    Information 5 Mars Science Laboratory Curiosity - ChemCam Public Image File(s): Caltech

  10. 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))...

  11. Microsoft Word - ProceedingsPaper_Duan.docx

    Office of Scientific and Technical Information (OSTI)

    Phys. 133(2010)074508, 136(2012)064516; Int. J. Clean Coal & Energy, 1(2012)1-11 Our ... Phys. 133(2010)074508; Int. J. Clean Coal & Energy, 1(2012)1-11 What Info. Can We ...

  12. PCIRCLE

    Energy Science and Technology Software Center (OSTI)

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

  13. 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.

  14. Jinhee Park | Center for Gas SeparationsRelevant to Clean Energy...

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

    BA and MS in Chemistry, POSTECH EFRC research: Metal-organic frameworks (MOFs) have been ... metal-organic framework for carbon dioxide capture and cooperative catalysis, Chem. ...

  15. Hiroyasu Furukawa | Center for Gas SeparationsRelevant to Clean...

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

    Kim, Jaheon; and Yaghi, Omar M Introduction of Functionality, Selection of Topology, and Enhancement of Gas Adsorption in Multivariate Metal-Organic Framework-177, J. Am. Chem. ...

  16. Qiang Zhang | Center for Gas SeparationsRelevant to Clean Energy...

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

    PhD in Inorganic Chemistry, University of South Carolina EFRC Research Metal-organic ... Piezofluorochromic Metal-Organic Framework: A Microscissor Lift. J. Amer. Chem. Soc., ...

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

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

    Kim, Jaheon; and Yaghi, Omar M Introduction of Functionality, Selection of Topology, and Enhancement of Gas Adsorption in Multivariate Metal-Organic Framework-177, J. Am. Chem. ...

  18. Microsoft Word - choi_catalyts_5_406-423_2015 w supporting info...

    Office of Scientific and Technical Information (OSTI)

    ... contain a large amount of organic acids including acetic ... copolymer templating syntheses of mesoporous metal oxides with large ordering lengths and semicrystalline framework. Chem. ...

  19. Rocío Mercado | Center for Gas SeparationsRelevant to Clean...

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

    functional theory calculations for M-MOF-74 (M Mg, Mn, Ni, Fe, Co, Zn) and ...ultifunctionalization of Covalent Organic Polymers for Enhanced Carbon Capture. J. Amer. Chem. ...

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

    Office of Scientific and Technical Information (OSTI)

    ... Resource Relation: Journal Name: Physical Review Letters; Journal Volume: 114; Journal ... Country of Publication: United States Language: English Subject: CHEM; MATSCI Word Cloud ...

  1. Search for: All records | SciTech Connect

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    Search Authors Type: All BookMonograph ConferenceEvent Journal Article Miscellaneous ... Filter Results Filter by Subject chem (1) Filter by Author Blakesley, James (1) Frisch, ...

  2. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Search Authors Type: All BookMonograph ConferenceEvent Journal Article Miscellaneous ... Filter Results Filter by Subject chem (2) matsci (1) Filter by Author Himmelberger, Scott ...

  3. ARM - Measurement - Cloud optical depth

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

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

  4. Insights into Methyltransferase Specificity and Bioactivity of...

    Office of Scientific and Technical Information (OSTI)

    OSTI Identifier: 1182773 Resource Type: Journal Article Resource Relation: Journal Name: ACS Chem. Biol.; Journal Volume: 10; Journal Issue: (5) ; 05, 2015 Research Org: Advanced ...

  5. Design and Synthesis of Nucleobase-Incorporated Metal-Organic...

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

    Design and Synthesis of Nucleobase-Incorporated Metal-Organic Materials Previous Next List ... Design and Synthesis of Nucleobase-Incorporated Metal-Organic Materials. Inorg. Chem. ...

  6. Search for: All records | SciTech Connect

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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) ...

  7. 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.

  8. 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.

  9. 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)

    Chemistry Students Home > News & Events > ANSER Chemists Design First Solar Cell Lab for Gen Chem Students ANSER Center Chemists Design First Solar Cell Lab for General Chemistry ...

  10. Introduction to Chemistry and Material Sciences Applications

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

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

  11. Drazenka Svedruzic | Bioenergy | NREL

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

    Chem. Soc. (2011) "Raman spectroscopy of charge transfer interactions between single wall carbon nanotubes and FeFe hydrogenase," Dalton Transactions (2008) "FeFe-Hydrogenase ...

  12. UNC EFRC - Center for Solar FuelsUNC EFRC - Center for Solar...

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    ... A. M.; Schanze, K. S.; Papanikolas, J. M. Frequency Modulated Femtosecond Stimulated Raman Spectroscopy of Ultrafast Energy Transfer in a Donor-Acceptor Copolymer. J. Phys. Chem. ...

  13. A DFT study of furan hydrogenation and ring opening on Pd(111...

    Office of Scientific and Technical Information (OSTI)

    Resource Type: Journal Article Resource Relation: Journal Name: Green Chem.; Journal ... Research Org: Energy Frontier Research Centers (EFRC); Catalysis Center for Energy ...

  14. Faces of Science: Rashi Iyer

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    the next generation of bioassessment platforms to understand and mitigate the toxic effects of radiation, chem-bio threats and engineered nanomaterials. Most recently,...

  15. 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 ...

  16. 1878 | OSTI, US Dept of Energy Office of Scientific and Technical

    Office of Scientific and Technical Information (OSTI)

    Information 878 Celebrate National Chemistry Week 2010 - October 17-23 Public Image File(s): Chem%20week_0.jpeg

  17. Lasers Used to Make First Boron-Nitride Nanotube Yarn | Jefferson Lab

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    of Energy Laser-Firing ChemCam Vital to Curiosity Rover's Tour of Mars Laser-Firing ChemCam Vital to Curiosity Rover's Tour of Mars March 6, 2014 - 2:00pm Addthis 1 of 4 Jean-Luc Lacour, an engineer at CEA France, created this artistic rendering of the ChemCam back in 2004. Looking at rocks and soil from a distance, ChemCam fires a high-powered laser to analyze the composition of vaporized materials from areas smaller than 1 millimeter on the surface of Martian rocks and soil as part of

  18. Microneedles MedTech Showcase Presentation

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    Processing Display Decision Control E-Chem Sensor Injection of analgesia ... accesses interstitial fluid. 2. Biological analytes are extracted from the ...

  19. Memo Is Homologous to Nonheme Iron Dioxygenases and Binds an...

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    Affiliations (JHU-MED) ( Publication Date: 2008-04-02 OSTI Identifier: 1006524 Resource Type: Journal Article Resource Relation: Journal Name: J. Biol. Chem.; Journal Volume: ...

  20. Native Chemical Ligation in Covalent Caspase Inhibition by p35...

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    Weill-Med Publication Date: 2015-10-15 OSTI Identifier: 1223965 Resource Type: Journal Article Resource Relation: Journal Name: Chem. Biol.; Journal Volume: 13; Journal Issue: 2 ...

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

    Office of Scientific and Technical Information (OSTI)

    (Harvard-Med) ( Publication Date: 2013-07-26 OSTI Identifier: 1087764 Resource Type: Journal Article Resource Relation: Journal Name: J. Biol. Chem.; Journal Volume: ...

  2. Vehicle Technologies Office Merit Review 2016: A 12V Start-Stop Li Polymer Battery Pack

    Broader source: Energy.gov [DOE]

    Presentation given by LG Chem Power at the 2016 DOE Vehicle Technologies Office and Hydrogen and Fuel Cells Program Annual Merit Review and Peer Evaluation Meeting about Batteries

  3. EV Everywhere Grand Challenge - Battery Workshop attendees list

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

    Lawrence Berkeley National Laboratory LG Chem Power, Inc. Massachusetts Institute of ... Laboratory Pellion Technologies PolyPlus Battery Company Qnovo Corporation ReVolt ...

  4. Heterolysis of H2 Across a Classical Lewis Pair, 2,6-Lutidine...

    Office of Scientific and Technical Information (OSTI)

    Richland, WA (US) Sponsoring Org: USDOE Country of Publication: United States Language: English Word Cloud More Like This Full Text Journal Articles DOI: 10.1002chem.201501899

  5. 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,...

  6. 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...

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

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

    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

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

    Office of Scientific and Technical Information (OSTI)

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

  9. Electrode-Immune System Interface Monitor through Neural Stimulation...

    Office of Scientific and Technical Information (OSTI)

    Electrode-Immune System Interface Monitor through Neural Stimulation in American Cockroach ... of Science (DOE SC) Country of Publication: United States Language: English Subject: CHEM

  10. Structures of Xenopus Embryonic Epidermal Lectin Reveal a Conserved...

    Office of Scientific and Technical Information (OSTI)

    Chem.; Journal Volume: 291; Journal Issue: (11) ; 03, 2016 Research Org: Advanced Photon ... Country of Publication: United States Language: ENGLISH Word Cloud More Like This Full ...

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

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

    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...

  12. Structural Studies of Wnts and Identification of an LRP6 Binding...

    Office of Scientific and Technical Information (OSTI)

    Resource Type: Journal Article Resource Relation: Journal Name: Structure 21: 1235-1242, ... Country of Publication: United States Language: English Subject: CHEM Word Cloud More Like ...

  13. High-Yield Hybrid Cellulosic Ethanol Process Using High-Impact...

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

    Peer Review High-Yield Hybrid Cellulosic Ethanol Process Using High- Impact Feedstock ... & Operations: ZeaChem Inc., Pacific Ethanol Management Services Timeline Barriers ...

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

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

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

  15. Introduction to Chemistry and Material Sciences Applications

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

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

  16. The Yi Liu Group - Home

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

    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...

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

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

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

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

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

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

  19. Preparation of Core-Shell Coordination Molecular Assemblies via...

    Office of Scientific and Technical Information (OSTI)

    Resource Type: Journal Article Resource Relation: Journal Name: J. Am. Chem Soc.; ... Language: English Subject: membrane, carbon capture, materials and chemistry by design, synthesis ...

  20. 2008 Publications | Stanford Synchrotron Radiation Lightsource

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

    ... Iron Centers in Model Systems: Theoretical and Experimental Trends", Phys. ... Core-Shell Nanoparticle Electrocatalysts for Use in PEM Fuel Cell Cathodes", J. Phys. Chem. ...

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

    Office of Scientific and Technical Information (OSTI)

    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) ; ...

  2. ARM - Facility News Article

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

    Analysis (AMMA) project in 2006 and the Weather Research Forecast-Chemistry (WRF-CHEM) model to investigate the effects of dust on monsoon circulation and precipitation. ...

  3. OSTIblog Articles in the Los Alamos Topic | OSTI, US Dept of...

    Office of Scientific and Technical Information (OSTI)

    ... "Mechanical & System Engineering Challenges Associated with the Development of the ChemCam Instrument for the NASA Mars Science Laboratory" "Los Alamos National Laboratory: A ...

  4. 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.

  5. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Filter Results Filter by Subject chem (17) solar (photovoltaic), electrodes - solar, charge transport, materials and chemistry by design, optics, synthesis (novel materials) (10) ...

  6. Laboratory Directed Research and Development Program: FY 2015...

    Office of Scientific and Technical Information (OSTI)

    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 ...

  7. DOE-HDBK-1086-95; Table-Top Training Program Design

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

    ... rows beneath the fundamentals topics you just completed. ... Chem. Physics Electricity Nuclear Theory Core Topic ??? ... supervisors, and engineering and design departments. ...

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

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

    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. ...

  9. WorkloadN6v15

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

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

  10. Aqueous Electrolyte Modeling in Aspen Plus G. E

    Office of Scientific and Technical Information (OSTI)

    ... The Dielectric Constant of Water and Debye-Huckel limiting Law Slopes, J. Phys. Chem. Ref. ... Dissolved gases are modeled using Henry's Law. Chemical reaction equilibrium is modeled ...

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

    Office of Scientific and Technical Information (OSTI)

    OSTI Identifier: 1208687 Resource Type: Journal Article Resource Relation: Journal Name: J. Biol. Chem.; Journal Volume: 290; Journal Issue: (30) ; 07, 2015 Research Org: Advanced ...

  12. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... a recent study using a magnetic-bottle photoelectron analyzer W. L. Li et al., J. Chem. ... are investigated using photoelectron spectroscopy and relativistic quantum chemistry. ...

  13. NNMCAB Board Minutes: November 2000 San Ildefonso

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    Minutes of the November 15, 2000 Board Meeting at San Ildefonso Pueblo Presentation CDC, ChemRisk Control Project on Historical Records, Tom Weidner

  14. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    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 ...

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

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

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

  16. Breaking Down the Mechanisms of Biomass Deconstruction | U.S...

    Office of Science (SC) Website

    Biological and Environmental Research U.S. Department of Energy SC-23Germantown Building ... Green Chem. 16, 63-68 (2014) External link . This graphical representation of ...

  17. Breaking Down the Mechanisms of Biomass Deconstruction | U.S...

    Office of Science (SC) Website

    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 ...

  18. Geralyn "Sam" Zeller

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

    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

  19. Ejecta source and transport modeling in the FLAG hydrocode (Conference...

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    Resource Relation: Conference: MULTIMAT 2011: Int. Conf. on Num. Methods for Multi-Mat. Fluid Flows ; September 5, 2011 ; Arcachon, France Research Org: Los Alamos National ...

  20. Bioenergy Technologies Office Conversion R&D Pathway: Whole Algae...

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

    The process components have not yet been fully inte- grated at this scale, though a detailed model has been developed via Auburn University's Aspen Plus simulator. Whole Algae ...

  1. \\\\Athena\\tsoshare\\Dosimetry\\Dosimetry Forms\\RPR 1A RADIATION...

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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:...

  2. 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...

  3. Radiocarbon (Geochronology)

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

  4. Search results | Department of Energy

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

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

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    Company HP Honda Research Institute IWatt Inc IXYS Corporation InnovaLight Inc Integrated Photovoltaics Intel Corp InteliSolar Intevac JDS Uniphase Corp JDSU KLA Tencor Kainos...

  6. MODELING WIND TURBINES IN THE GRIDLAB-D SOFTWARE ENVIRONMENT

    Office of Scientific and Technical Information (OSTI)

    ... Quality," POWERENG Int. Conf. on Power Eng., Energy and Electrical Drives, Darmstadt, Germany, pp. 642-647, 2007. 14 AWEA 2008, "2008 Annual Rankings Report," AWEA, Washington, ...

  7. piggy_prohibition.indd

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

  8. 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. ...

  9. 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...

  10. Welcoming Remarks Imre Gyuk US Department of Energy

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    Electric Power) Very High Temperature (400+ C) High-Power Silicon Carbide (SiC) Power Electronics Converter Marcelo Schupback (Arkansas Power Electronics Int'l) Power Electronics ...

  11. Microsoft Word - VI_1-8_Talks Presented 2014-2015.doc

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    ... Gluon polarization in longitudinally polarized pp collisions at STAR, Z. Chang, Invited Talk, (for the STAR Collaboration), 21 st Int. Symp. Spin Phys. (SPIN 2014), Beijing, China ...

  12. CASL-U-2015-0158-000

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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 ...

  13. 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 ...

  14. 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.

  15. 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.

  16. 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

  17. Structures and stability of metal-doped GenM (n = 9, 10) clusters

    Office of Scientific and Technical Information (OSTI)

    ... Chem. 13, i73 (2oo2). 19 J. G. Han, Chem. Phys. 286, i8i (2oo3). 20 V. Kumar, A. K. Singh, and Y. Kawazoe, Nano Lett. 4, 677 (2oo4). 21 D. Bandyopadhyay, P. Kaur, and P. Sen, J. ...

  18. 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}.

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

    Office of Scientific and Technical Information (OSTI)

    Scientific and Technical Information Dr. William Watson Dr. William Watson's picture Physicist Mars Science Laboratory Curiosity - ChemCam 4265 Caltech.png Mars Science Laboratory Curiosity - ChemCam Read more about 4265 Science Communications Published on Sep 12, 2012 How do you run chemical tests at a geologic site millions of miles away from you to see what the rocks and soil are made of? Curiosity's new instrument ChemCam, developed at Los Alamos National Laboratory, is designed to

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

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    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

  1. 1

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

    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

  2. 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 the French space institute, IRAP. August 6, 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 carbon,

  3. 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.

  4. 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 Mars Science Laboratory Curiosity - ChemCam by Dr. William Watson on Wed, September 12, 2012 4265 Caltech.png Mars Science Laboratory Curiosity - ChemCam Read more about 4265 How do you run chemical tests at a geologic site millions of miles away from you to see what the rocks and soil are made of? Curiosity's new instrument ChemCam, developed at Los Alamos National Laboratory, is designed to determine how much light is emitted at

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

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    ... 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.; ...

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

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    ... 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 ...

  7. Thomas McDonald | Center for Gas SeparationsRelevant to Clean...

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    ... The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal-Organic Framework, J. Am. Chem Soc., 135, 7402-7405 (2013). 10.1021ja4004766 McDonald, Thomas ...

  8. Hong-Cai (Joe) Zhou | Center for Gas SeparationsRelevant to Clean...

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    Pyrazolate-Based Porphyrinic Metal-Organic Framework with Extraordinary Base-Resistance. J. Amer. Chem. Soc., 138, 914-919 (2016). 10.1021jacs.5b10881 Zou, Lanfang; Feng, Dawei; ...

  9. Xueqian (Sean) Kong | Center for Gas SeparationsRelevant to Clean...

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    on characterizing the structure of metal-organic frameworks (MOFs) with methodologies ... A. CO2 Dynamics in a Metal-Organic Framework with Open Metal Sites, J. Am. Chem. ...

  10. Miguel I. Gonzalez | Center for Gas SeparationsRelevant to Clean...

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    Grandjean, Fernande; and Long, Jeffrey R. Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II) Triazolate Metal-Organic Framework. J. Amer. Chem. ...

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

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

    BS in Chemistry, Shandong University, China EFRC Research Even though various metal-organic ... Stable Porphyrinic Zirconium Metal-Organic Framework with shp-a Topology. J. Am. Chem. ...

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

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    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, ...

  13. Lucy Darago | Center for Gas SeparationsRelevant to Clean Energy...

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    BS in Chemistry & Biochemistry, UC Santa Barbara EFRC Research Metal-organic materials afford ... an Iron(II) Triazolate Metal-Organic Framework. J. Amer. Chem. Soc., 138, 5594-5602 ...

  14. Douglas Reed | Center for Gas SeparationsRelevant to Clean Energy...

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    CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II) Triazolate Metal-Organic Framework. J. Amer. Chem. Soc., 138, 5594-5602 (2016). 10.1021jacs.6b00248

  15. Jeffrey Long | Center for Gas SeparationsRelevant to Clean Energy...

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    Within the CGS, the Long group is synthesizing and characterizing new metal-organic ... State Transitions in an Iron(II) Triazolate Metal-Organic Framework. J. Amer. Chem. ...

  16. Jeffrey Reimer | Center for Gas SeparationsRelevant to Clean...

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    Kong, Xueqian; Scott, Eric; Ding, Wen; Mason, Jarad A; Long, Jeffrey R; and Reimer, Jeffrey A. CO2 Dynamics in a Metal-Organic Framework with Open Metal Sites, J. Am. Chem. Soc, ...

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

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    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 ...

  18. A Route to Metal-Organic Frameworks through Framework Templating...

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    A Route to Metal-Organic Frameworks through Framework Templating Previous Next List Zhangwen Wei, Weigang Lu, Hai-Long Jiang, and Hong-Cai Zhou, Inorg. Chem., 2013, 52 (3), pp ...

  19. Wen Ding | Center for Gas SeparationsRelevant to Clean Energy...

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    Kong, Xueqian; Scott, Eric; Ding, Wen; Mason, Jarad A; Long, Jeffrey R; and Reimer, Jeffrey A. CO2 Dynamics in a Metal-Organic Framework with Open Metal Sites, J. Am. Chem. Soc, ...

  20. Jarad Mason | Center for Gas SeparationsRelevant to Clean Energy...

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

    With their high surface areas and large degree of tunability, metal-organic frameworks (MOFs) ... CO2 Dynamics in a Metal-Organic Framework with Open Metal Sites. J. Am. Chem. ...

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

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    Pyrazolate-Based Porphyrinic Metal-Organic Framework with Extraordinary Base-Resistance. J. Amer. Chem. Soc., 138, 914-919 (2016). 10.1021jacs.5b10881 Zou, Lanfang; Feng, Dawei; ...

  2. Zhiyong Wang | Center for Gas SeparationsRelevant to Clean Energy...

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    Andrey A; Wang, Zhiyong U.; Sun, Lin-Bing; Balbuena, Perla B; and Zhou, Hong-Cai A versatile metal-organic framework for carbon dioxide capture and cooperative catalysis, Chem. ...

  3. Eric Scott | Center for Gas SeparationsRelevant to Clean Energy...

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

    Kong, Xueqian; Scott, Eric; Ding, Wen; Mason, Jarad A; Long, Jeffrey R; and Reimer, Jeffrey A. CO2 Dynamics in a Metal-Organic Framework with Open Metal Sites, J. Am. Chem. Soc, ...

  4. Hye Jeong Park | Center for Gas SeparationsRelevant to Clean...

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

    Functionality, ISelection of Topology, and Enhancement of Gas Adsorption in Multivariate Metal-organic Framework-177 J. Am. Chem. Soc., 137, 2641-2650 (2015). 10.1021ja512311a

  5. 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. ...

  6. 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 ...

  7. Microsoft PowerPoint - Lubimtsev_2013_CNMS_StaffScienceHighlight...

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    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...

  8. c3gc42138d 824..835 ++

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    Green Chemistry PAPER Cite this: Green Chem., 2014, 16, 824 Received 16th October 2013, ... This journal is The Royal Society of Chemistry 2014 Published on 08 November 2013. ...

  9. Third DOE BES Separations Research Workshop | U.S. DOE Office...

    Office of Science (SC) Website

    Hank Cochran hdc@ornl.gov Chem Tech Division Oak Ridge National Laboratory Prof. Robin Rogers robin@radar.ch.ua.edu Department of Chemistry University of Alabama Objective This ...

  10. 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...

  11. 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...

  12. 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...

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

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

    ... J. Phys. Chem. A 2014, 118 (20), 3698-3704. LINK 176. Ashford, D.; Glasson, C. R.; Norris, M.; Concepcion, J. J.; Keinan, S.; Brennaman, K.; Templeton, J. L.; Meyer, T. J. ...

  14. 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; ...

  15. Microsoft Word - Crown ethers in graphene_Sept15.docx

    Office of Scientific and Technical Information (OSTI)

    ... Mater. 22, 4467-4472 (2010). 29 Cai, W. et al. Synthesis and solid-state nmr structural ... (2010). 43 Hummers, W. S. & Offeman, R. E. Preparation of graphitic oxide. J. Am. Chem. ...

  16. User Submitted Research Citations

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    ... NERSC repository: m2217 NERSC Resources Used Edison - Cray XC30, Hopper - Cray XE6, Carver Linux Cluster Brennan ChemComm 01 12 2016 Molecular Titanium-Hydroxamate Complexes as ...

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

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    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; ...

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

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    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, ...

  19. 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.

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

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    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:...

  1. National Laboratory

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    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....

  2. National Laboratory

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    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 -...

  3. 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...

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

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    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,...

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

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    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...

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

    Office of Scientific and Technical Information (OSTI)

    How do you run chemical tests at a geologic site millions of miles away from you to see what the rocks and soil are made of? Curiosity's new instrument ChemCam, developed at Los ...

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

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    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)....

  8. Energy Blog | Department of Energy

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    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...

  9. 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...

  10. Energy Media Advisories | Department of Energy

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    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,...

  11. ARM XDC Datastreams

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    The data are provided and quality assured by the High Plains Climate Center. All stations are Campbell CR10 dataloggers with Phys-Chem Temp RH probes, Texas Instrument (0.01") ...

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    The data are provided and quality assured by the High Plains Climate Center. All stations are Campbell CR10 dataloggers with Phys-Chem Temp RH probes, Texas Instrument (0.01") ...

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

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    EV. In fact, LG Chem has further improved on this chemistry for the next generation Volt, which has a 39% higher all-electric range while using substantially fewer battery cells. ...

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

    Office of Energy Efficiency and Renewable Energy (EERE)

    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. EV Everywhere Framing Workshop

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    Kings Mtn, NC East Penn Mfg. Co. Lyon Station, PA TOXCO Inc. Lancaster, OH LG Chem, MI Holland, MI BASF Catalysts, LLC Elyria, OH Recovery Act - Battery and Electric Drive Award ...

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    ... TBD - DC coupled hybrid inverter will be considered PV String Inverter - TBD PowerHub SiC-based 4- quadrant Battery LG Chem TBD DESS Integrated Local Controller Eaton TBD - BEMS ...

  17. DOE Quadrennial Energy Review 1.2, Electricity: Generation to...

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    ... The project uses Toshiba's lithium-ion battery, with 2-MW output and 0.8 megawatt-hour capacity. Duke Energy, LG Chem and Greensmith are teaming up for a 2-MW storage project will ...

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

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    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...

  19. Limnia Inc | Open Energy Information

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    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...

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    Filter Results Filter by Subject chem (7) energy storage (3) crystals (2) inorganic, organic, physical, and analytical chemistry (2) raman spectroscopy (2) x-ray lasers (2) x-ray ...

  1. Fragment Screen against HIV Protease: Discovery of Two Allosteric...

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    Screen against HIV Protease. Chem. Biol. Drug Des. 75: 257-268. References Brenner, B., Routy, J-P., Quan, Y., Moisi, D., Oliveira, M., Turner, D., Wainberg, M. A. &...

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

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    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...

  3. CO N

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    ... Chem. 55, 1660-1665 (1983). 4. Gaffney, J.S., Fajer, R., and Senum, G . I . Atmos. Environ. 18 215-218 (1984). DISCLAIMER This report was prepared as an account of work sponsored ...

  4. 1

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    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...

  5. Hydrocarbon Separations in Metal-Organic Frameworks | Center...

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

    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...

  6. High-Throughput Characterization of Porous Materials Using Graphics...

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

    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...

  7. DOE Science Showcase - "Curiosity" R&D | OSTI, US Dept of Energy...

    Office of Scientific and Technical Information (OSTI)

    Image Credit: Los Alamos National Laboratory Curiosity's new ChemCam was developed by LANL's Roger Wiens with a team of 45 people and the collaboration of the French space ...

  8. 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 ...

  9. Sub-Micron Polymer-Zeolitic Imidazolate Framework Layered Hybrids...

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

    of Naked ZnO Nanocrystal Films. Chem. Mater., 27, 7673-7679 (2015). DOI: 10.1021acs.chemmater.5b03219 sub-micron poluer-zeolitic Abstract: Here we show that sub-micron...

  10. 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...

  11. Protein Immobilization in Metal-Organic Frameworks by Covalent...

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

    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:...

  12. Dr.James J.Spivey

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

    Fe3O4@Au Nano-Catalysts for CO Oxidation", J. Phys. Chem. ... as a Potential Catalyst for Hydrogen Fuel Cells", J. Am. ... partial oxidation of a diesel surrogate fuel using an ...

  13. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Filter by Author Nirmala, R. (6) Malik, S. K. (3) Isnard, O. (2) Morozkin, A. V. (2) Morozkin, A.V., E-mail: morozkin@general.chem.msu.r (2) Yelon, W. B. (2) Chandrasekaran, V. (1) ...

  14. 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....

  15. 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...

  16. OFF-SITE SURVEILLANCE ACTIVITIES OF SOUTHWESTERN RADIOLOGICAL...

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

    ... miles south of Alamo, Highway 93), and Apex Junction (Jet. Highway 93 and Interstate 15). ... CREAMERY 187YLl50) 13fILT120) CHEM GRAND JCT COLO CLYHER'S DAIRY 187WLl(SO ...

  17. CNMS Soft Matter workshop

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    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...

  18. Advances in explosives analysis-part I. animal, chemical, ion...

    Office of Scientific and Technical Information (OSTI)

    to Explosives Analysis (Moore and Goodpaster, Anal Bioanal Chem 395(2):245-246, 2009). ... Authors: Brown, Kathryn E. 1 ; Greenfield, Margo T. 1 ; McGrane, Shawn D. 1 ; Moore, ...

  19. 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.;...

  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. 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...

  2. 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)....

  3. 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...

  4. 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...

  5. 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....

  6. Space

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

    Image credit: MSSSJPLNASA (PIA18390) ChemCam findings hint at oxygen-rich past on Mars ... arm-mounted camera. (Photo credit: NASAJPL-CaltechMSSS) New Mars rover findings ...

  7. Template for Electronic Submission to ACS Journals

    Office of Scientific and Technical Information (OSTI)

    ... Res. 1984, 17, 103. Gladysz, J. A. Adv. Organomet. Chem. 1982, 20, 1. Jordan, R. F. Adv. ... Soc. 1987, 109, 5605. (32). a) Guo, Z.; Swenson, D. C.; Guram, A. S.; Jordan, R. F. ...

  8. All News Releases

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

    ... Image credit: MSSSJPLNASA (PIA18390) ChemCam findings hint at oxygen-rich past on Mars ... arm-mounted camera. (Photo credit: NASAJPL-CaltechMSSS) New Mars rover findings ...

  9. Slide 1

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

    provides a strategy to rationally predict solvents and improve yield. Xiong, R.C.; Sandler, S.I.; Vlachos, D.G.; Dauenhauer, P. J., Green Chem. 2014, 16, 4086-4091....

  10. 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...

  11. 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 Top Science of 2013 Our strong interdisciplinary teaming and unique research facilities allow us to develop solutions to ...

  12. Rami Hourani | 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,...

  13. 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,...

  14. 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,...

  15. 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. ...

  16. The time it takes

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

    A compound image provided by ChemCam's high-resolution camera shows a series of 1.4-millimeter-wide pits in the Martian surface soil formed by the instrument's LIBS laser from a ...

  17. 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 ...

  18. 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 ...

  19. LANL

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

    ... camera shows a series of 1.4-millimeter-wide pits in the Martian surface soil formed by the instrument's LIBS laser from a distance of 3 meters. Credit: ChemCamLANLIRAPCNES

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

    Office of Scientific and Technical Information (OSTI)

    More Posts from Dr. William Watson Mars Science Laboratory Curiosity - ChemCam 3 years ago Value of a Semantic Science Accelerator and Means of Constructing It 5 years ago Why ...

  1. 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.

  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. 2013 Publications Resulting from the Use of NERSC Resources

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

    ... the Uranyl-SO2 Complex, UO2(CH3SO2)(SO2)-," J. Phys. Chem. ... Nuclear Instruments and Methods A683 (2012) 78-90, 11 August ... Cyclops Tensor Framework: reducing communication and ...

  4. 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 ...

  5. 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 ...

  6. 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

  7. Producing Clean, Renewable Diesel from Biomass | Department of Energy

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

    Clean, Renewable Diesel from Biomass Producing Clean, Renewable Diesel from Biomass November 30, 2011 - 12:08pm Addthis ThermoChem Recovery International's process demonstration unit -- where wood waste and forest residue is converted into renewable fuel. | Courtesy of TRI. ThermoChem Recovery International's process demonstration unit -- where wood waste and forest residue is converted into renewable fuel. | Courtesy of TRI. Paul Bryan Biomass Program Manager, Office of Energy Efficiency &

  8. 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 - 25 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.

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

    SciTech Connect (OSTI)

    Wiens, Roger

    2012-01-01

    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.

  10. The University of Maryland | OSTI, US Dept of Energy Office of Scientific

    Office of Scientific and Technical Information (OSTI)

    and Technical Information The University of Maryland Spotlights Home DOE Applauds The University of Maryland Science and Technical Programs 2011_SBLee_PhysChemChemPhys_MnO2-TiN.gif Nanostructures for Electrical Energy Storage (NEES) The University of Maryland's NEES is a multi-institutional research center, one of 46 Energy Frontier Research Centers (EFRC) established by the U.S. Department of Energy. The group's focus is developing highly ordered nanostructures that offer a unique testbed

  11. 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

  12. 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.

  13. 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

  14. Biographical sketch - James Allen | Center for Bio-Inspired Solar Fuel

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

    Production James Allen a. Professional Preparation Saint Joseph's University, Philadelphia Physics B.S. 1977 University of Illinois, Urbana Physics M.S. 1979 University of Illinois, Urbana Physics Ph.D. 1982 University of California, San Diego Biophysics Postdoctorial Studies 1982-1989 b. Area of Specialization: photosynthesis, structural biology c. Appointments Arizona State University, Associate Chair Chem. & Biochem. 2006 - present Arizona State University, Professor Chem. &

  15. 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...

  16. 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...

  17. Author(s).

    Office of Scientific and Technical Information (OSTI)

    ... E. James, Jr., and L. C. Smith, "Detonation Velocity of Pressed I'NT,', Phys. Fluids 4 262 (196 1). 823. M. J. Urizar, S. W. Peterson, and L. C.Smith, 'LDetonation Serisitiviy ...

  18. 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.

  19. 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

  20. 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.

  1. 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...

  2. Neutrino Scattering Results from

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

    to produce absolute cross sections - Determined from production measurements from HARP at 8.9 GeVc beam momentum (as MB), on 5% int. length Be target.. (Eur.Phys.J.C52(2007)...

  3. ELECTROCHEMICAL REMEDIATION OF ARSENIC-CONTAMINATED GROUNDWATER...

    Office of Scientific and Technical Information (OSTI)

    ... May 2001, http:www.who.int mediacentrefactsheetsfs210en. 3 A.H. Smith and M.M.H. Smith, "Arsenic Drinking Water Regulations in Developing Countries with Extensive ...

  4. 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,...

  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. 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

  7. 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...

  8. 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 "<<...

  9. 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...

  10. Curriculum Vitae 12102014

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

    ... Int'l Conference on Crystal Growth 16, Beijing, China, August 2010. 63. "Frustration and ... Quantum Materials, Institute of Physics, Beijing, China, August 8, 2014. 89. "Sr 2 IrO 4 : ...

  11. DEVELOPMENT OF THE HELICAL REACTION HYDRAULIC TURBINE Final Technical...

    Office of Scientific and Technical Information (OSTI)

    ... fast failure of mechanical parts and joints in the "turbine-generator-transmission" chain. ... as an Activating Fuel for Tidal Power Plant. Int'l Journal of Hydrogen Energy, Vol. ...

  12. 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...

  13. IAEA Verification Experiment at the Portsmouth Gaseous Diffusion Plant: Report on the Cascade Header Enrichment Monitor

    SciTech Connect (OSTI)

    P. L. Kerr; D. A. Close; W. S. Johnson; R. M. Kandarian; C. E. Moss; C. D. Romero

    1999-03-01

    The authors describe the Cascade Header Enrichment Monitor (CHEM) for the Portsmouth Gaseous Diffusion Plant at Piketon, Ohio, and present the calibration and measurement results. The US government has offered excess fissile material that is no longer needed for defense purposes for International Atomic Energy Agency (IAEA) inspection. Measurement results provided by the CHEM were used by the IAEA in a verification experiment to provide confidence that the US successfully blended excess highly enriched uranium (HEU) down to low enriched uranium (LEU). The CHEM measured the uranium enrichment in two cascade header pipes, a 20.32-cm HEU pipe and a 7.62-cm product LEU pipe. The CHEM determines the amount of {sup 235}U from the 185.7-keV gamma-ray photopeak and the amount of total uranium by x-ray fluorescence (XRF) of the 98.4-keV x-ray from uranium with a {sup 57}Co XRF source. The ratio yields the enrichment. The CHEM consists of a collimator assembly, an electromechanically cooled germanium detector, and a rack-mounted personal computer running commercial and custom software. The CHEM was installed in December 1997 and was used by the IAEA inspectors for announced and unannounced inspections on the HEU and LEU header pipes through October 1998. The equipment was sealed with tamper-indicating enclosures when the inspectors were not present.

  14. 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.

  15. 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

  16. zeller-MC-session.ppt

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

    NuInt09, path forward session 1 Some Thoughts on MC Convergence * first, would like to define what I mean * two kinds of convergence ... - "convergence" = experiments all working towards using same MC generator (common basis for comparison) - "convergence" = experimentalists & theorists working together to converge on best theoretical description of σ ν * the two are obviously related, will focus on the latter Sam Zeller, NuInt09, path forward session 2 Current

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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

  2. 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.

  3. 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

  4. 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.

  5. 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

  6. 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

  7. 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

  8. 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

  9. 1

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

    rover's laser can now target rocks all by itself July 21, 2016 LOS ALAMOS, N.M., July 21, 2016-New software is enabling ChemCam, the laser spectrometer on NASA's Curiosity Mars rover, to select rock targets autonomously-the first time autonomous target selection is available for an instrument of this kind on any robotic planetary mission. Developed jointly at Los Alamos National Laboratory and the Research Institute in Astrophysics and Planetology in Toulouse, France, the ChemCam (chemistry and

  10. 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,

  11. Journal Cover Stories

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

    Liu2010.jpg Methanol Synthesis from H2 and CO2 on a Mo6S8 Cluster: A Density Functional Study October 30, 2009 | Author(s): Ping Liu, YongMan Choi, Y. Yang and M. G. White | Source: J. Phys. Chem. A | Category: Chemistry | URL: http://dx.doi.org/10.1021/jp906780a Download Image: Liu2010.jpg | jpg | 2.1 MB J. Phys. Chem. A, 2010, 114 (11), pp 3888-3895 ChingCoverPaper.png A Genomic Approach to the Stability, Elastic, and Electronic Properties of the MAX Phases June 24, 2014 | Author(s): S. Aryal,

  12. Los Alamos science sleuth on the trail of a martian mystery

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

    Trail of a martian mystery Los Alamos science sleuth on the trail of a martian mystery When it comes to examining the surface of rocks on Mars with a high-powered laser, five is a magic number for LANL postdoctoral researcher Nina Lanza. March 19, 2013 This dual image of a Martian rock taken by the ChemCam instrument aboard the Curiosity rover shows a rock at the "Rocknest" area on Mars before it was interrogated with ChemCam's high-powered laser (left) and after interrogation by 600

  13. Mars mission laser tool heads to JPL

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

    Mars mission laser tool Mars mission laser tool heads to JPL Curiosity will carry the newly delivered laser instrument to reveal which elements are present in Mars' rocks and soils. September 21, 2010 A bright ball of plasma is produced by ChemCam's invisible laser beam striking a rock within the Mars sample chamber. A bright ball of plasma is produced by ChemCam's invisible laser beam striking a rock within the Mars sample chamber. Contact Nancy Ambrosiano Communications Office (505) 667-0471

  14. Mars rover's laser can now target rocks all by itself

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

    Mars rover's laser can now target rocks all by itself Mars rover's laser can now target rocks all by itself New software is enabling ChemCam to select rock targets autonomously-the first time autonomous target selection is available for an instrument of this kind on any robotic planetary mission. July 21, 2016 NASA's Curiosity Mars rover autonomously selects some targets for the laser and telescopic camera of its ChemCam instrument. For example, on-board software analyzed the Navcam image at

  15. 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 survey the Martian landscape. December 5, 2013 This figure is a ChemCam Remote Micro Imager (RMI) image of the target "Ithaca". The image is a mosaic of three separate images taken on Sol 439, with the scale as shown. The image shows the scars from the ten LIBS points labeled from point 1 to point 10. One of

  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)

    6 - 17 Publications to date 222. Wee, K.-R.; Sherman, B. D.; Brennaman, M. K.; Sheridan, M. V.; Nayak, A.; Alibabaei, L.; Meyer, T. J. An Aqueous, Organic Dye Derivatized SnO2/TiO2 Core/Shell Photoanode. J. Mater. Chem. A 2015, 4 (8), 2969-2975. LINK 223. Sherman, B. D.; Sheridan, M. V.; Wee, K.-R.; Song, N.; Dares, C. J.; Fang, Z.; Tamaki, Y.; Nayak, A.; Meyer, T. J. Analysis of Homogeneous Water Oxidation Catalysis with Collector-Generator Cells. Inorg. Chem. 2015, 55 (2), 512-517. LINK 224.

  17. 2013 Publications | Argonne National Laboratory

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

    3 Publications A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z A Alvarez C. J., Liu Y., Leonard R. L., Johnson J. A. and Petford-long A. K., "Nanocrystallization in Fluorochlorozirconate Glass-Ceramics," J. Am. Ceram. Soc., 96, 3617-3621 (2013) (Link) An C., Wang J., Liu J., Wang S. and Sun Y., "Hollow AgI:Ag Nanoframes as Solar Photocatalysts for Hydrogen Generation from Water Reduction," ChemSusChem, 6, 1931-1937 (2013)

  18. June

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

    June 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 day. - 6/30/14 Piotr Zelenay Zelenay named

  19. 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"/>

  20. CHEMFINAL1400

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

    0-01 I N S P E C T I O N R E P O R T U.S. DEPARTMENT OF ENERGY OFFICE OF INSPECTOR GENERAL OFFICE OF INSPECTIONS INSPECTION OF SELECTED ISSUES OF THE CHEM-BIO FACILITY AT THE OAK RIDGE NATIONAL LABORATORY NOVEMBER 1999 2 MANAGEMENT REACTION Management concurred with the findings and recommendations and initiated appropriate corrective actions. cc: Director, Office of Science Leader, Audit Liaison Team, CR-2 INSPECTION OF SELECTED ISSUES OF THE CHEM-BIO FACILITY AT THE OAK RIDGE NATIONAL

  1. 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

  2. Crater

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

    Planetary scientist to discuss Curiosity rover's visit to Mars May 23, 2014 May 28 lecture examines data collected from Gale Crater LOS ALAMOS, N.M., May 23, 2014-Agnes Cousin-Pilleri, a post-doctoral researcher in Los Alamos National Laboratory's Chemistry Division, will discuss the trailblazing discoveries made by the ChemCam instrument on the Curiosity rover on Mars from noon to 1 p.m. May 28 at the Bradbury Science Museum. "ChemCam is providing one of the largest and most powerful

  3. 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

  4. ACCRETION RATE AND THE PHYSICAL NATURE OF UNOBSCURED ACTIVE GALAXIES

    SciTech Connect (OSTI)

    Trump, Jonathan R.; Impey, Christopher D.; Gabor, Jared M.; Diamond-Stanic, Aleksandar M.; Kelly, Brandon C.; Civano, Francesca; Hao, Heng; Lanzuisi, Giorgio; Merloni, Andrea; Salvato, Mara; Urry, C. Megan; Jahnke, Knud; Nagao, Tohru; Taniguchi, Yoshi; Koekemoer, Anton M.; Liu, Charles; Mainieri, Vincenzo; Scoville, Nick Z.

    2011-05-20

    We show how accretion rate governs the physical properties of a sample of unobscured broad-line, narrow-line, and lineless active galactic nuclei (AGNs). We avoid the systematic errors plaguing previous studies of AGN accretion rates by using accurate intrinsic accretion luminosities (L{sub int}) from well-sampled multiwavelength spectral energy distributions from the Cosmic Evolution Survey, and accurate black hole masses derived from virial scaling relations (for broad-line AGNs) or host-AGN relations (for narrow-line and lineless AGNs). In general, broad emission lines are present only at the highest accretion rates (L{sub int}/L{sub Edd} > 10{sup -2}), and these rapidly accreting AGNs are observed as broad-line AGNs or possibly as obscured narrow-line AGNs. Narrow-line and lineless AGNs at lower specific accretion rates (L{sub int}/L{sub Edd} < 10{sup -2}) are unobscured and yet lack a broad-line region. The disappearance of the broad emission lines is caused by an expanding radiatively inefficient accretion flow (RIAF) at the inner radius of the accretion disk. The presence of the RIAF also drives L{sub int}/L{sub Edd} < 10{sup -2} narrow-line and lineless AGNs to have ratios of radio-to-optical/UV emission that are 10 times higher than L{sub int}/L{sub Edd} > 10{sup -2} broad-line AGNs, since the unbound nature of the RIAF means it is easier to form a radio outflow. The IR torus signature also tends to become weaker or disappear from L{sub int}/L{sub Edd} < 10{sup -2} AGNs, although there may be additional mid-IR synchrotron emission associated with the RIAF. Together, these results suggest that specific accretion rate is an important physical 'axis' of AGN unification, as described by a simple model.

  5. NotCal04 - Comparison / Calibration 14C records 26-50 cal kBP

    SciTech Connect (OSTI)

    der Plicht, J v; Beck, J; Bard, E; Baille, M

    2004-11-11

    The radiocarbon calibration curve, IntCal04, extends back to 26 cal kBP. While several high resolution records exist beyond this limit, these data sets exhibit discrepancies one to another of up to several millennia. As a result, no calibration curve for the time range 26-50 cal kBP can be recommended as yet, but in this paper the IntCal04 working group compares the available data sets and offers a discussion of the information that they hold.

  6. 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...

  7. 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.

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

    Office of Environmental Management (EM)

    TECHNOLOGY VISION 2020: The U.S. Chemical Industry TECHNOLOGY VISION 2020: The U.S. Chemical Industry chem_vision.pdf (309.03 KB) More Documents & Publications ITP Chemicals: Technology Roadmap for Computational Chemistry WORKSHOP: SUSTAINABILITY IN MANUFACTURING, JANUARY 6-7 Manufacturing Innovation Multi-Topic Workshop Report

  9. 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 Inspection Report: S99IS019 (116.97 KB) More Documents & Publications Inspection Report: INS-O-00-01 Inspection Report: IG-0492 Inspection Report: IG-0695

  10. 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)

  11. BP and Hydrogen Pipelines

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

    ng n va ves, a ow ng mo ecu ar H to s p by Concern about H auto- gn on near nv e f ame prox ty to other chem ca nes Stay to conservat ve s de of a owab e t me frame for DOT va ve ...

  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. Marine04 Marine radiocarbon age calibration, 26 ? 0 ka BP

    SciTech Connect (OSTI)

    Hughen, K; Baille, M; Bard, E; Beck, J; Bertrand, C; Blackwell, P; Buck, C; Burr, G; Cutler, K; Damon, P; Edwards, R; Fairbanks, R; Friedrich, M; Guilderson, T; Kromer, B; McCormac, F; Manning, S; Bronk-Ramsey, C; Reimer, P; Reimer, R; Remmele, S; Southon, J; Stuiver, M; Talamo, S; Taylor, F; der Plicht, J v; Weyhenmeyer, C

    2004-11-01

    New radiocarbon calibration curves, IntCal04 and Marine04, have been constructed and internationally ratified to replace the terrestrial and marine components of IntCal98. The new calibration datasets extend an additional 2000 years, from 0-26 ka cal BP (Before Present, 0 cal BP = AD 1950), and provide much higher resolution, greater precision and more detailed structure than IntCal98. For the Marine04 curve, dendrochronologically dated tree-ring samples, converted with a box-diffusion model to marine mixed-layer ages, cover the period from 0-10.5 ka cal BP. Beyond 10.5 ka cal BP, high-resolution marine data become available from foraminifera in varved sediments and U/Th-dated corals. The marine records are corrected with site-specific {sup 14}C reservoir age information to provide a single global marine mixed-layer calibration from 10.5-26.0 ka cal BP. A substantial enhancement relative to IntCal98 is the introduction of a random walk model, which takes into account the uncertainty in both the calendar age and the radiocarbon age to calculate the underlying calibration curve. The marine datasets and calibration curve for marine samples from the surface mixed layer (Marine04) are discussed here. The tree-ring datasets, sources of uncertainty, and regional offsets are presented in detail in a companion paper by Reimer et al.

  14. 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

  15. 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.

  16. Comprehensive Self-Assessment and Upgrade Program (CSAUP) performance objectives and criteria

    SciTech Connect (OSTI)

    Not Available

    1990-05-01

    The US Department of Energy (DOE) has placed strong emphasis on a new way of doing business patterned on the lessons learned in the nuclear power industry after the accident at Three Mile Island Unit 2. The new way relies on strict adherence to policies and procedures, a greatly expanded training program, and much more rigor and formality in operations. Another key element is more visible oversight by upper management and auditability by DOE. Although the Chemical Technology Division (Chem Tech) has functioned in a safe manner since its beginning, the policies and methods of the past are no longer appropriate. Therefore, in accordance with these directives, Chem Tech is improving its operational performance by making a transition to greater formality in the observance of policies and procedures and a more deliberate consideration of the interrelationships between organizations at ORNL. This transition to formality is vitally important because both our staff and our facilities are changing with time. For example, some of the inventors and developers of the processes and facilities in use are now passing the torch'' to the next generation of Chem Tech staff. Our facilities have also served us well for many years, but the newest of these are now over 20 years old All have increasing needs of refurbishment and repair, and some of the older ones need to be replaced. This procedure, based on the lessons learned in the nuclear industry, will enhance Chem Tech's operational performance in some important ways, while maintaining the special factors that have allowed the Chem Tech staff to be creative and successful in the RD D activities.

  17. Comment on "Radiocarbon Calibration Curve Spanning 0 to 50,000 Years B.P. Based on Paired 230Th/234U/238U and 14C Dates on Pristine Corals" by R.G. Fairbanks, R. A. Mortlock, T.-C. Chiu, L. Cao, A. Kaplan, T. P. Guilderson, T. W. Fairbanks, A. L. Bloom, P

    SciTech Connect (OSTI)

    Reimer, P J; Baillie, M L; Bard, E; Beck, J W; Blackwell, P G; Buck, C E; Burr, G S; Edwards, R L; Friedrich, M; Guilderson, T P; Hogg, A G; Hughen, K A; Kromer, B; McCormac, G; Manning, S; Reimer, R W; Southon, J R; Stuiver, M; der Plicht, J v; Weyhenmeyer, C E

    2005-10-02

    Radiocarbon calibration curves are essential for converting radiocarbon dated chronologies to the calendar timescale. Prior to the 1980's numerous differently derived calibration curves based on radiocarbon ages of known age material were in use, resulting in ''apples and oranges'' comparisons between various records (Klein et al., 1982), further complicated by until then unappreciated inter-laboratory variations (International Study Group, 1982). The solution was to produce an internationally-agreed calibration curve based on carefully screened data with updates at 4-6 year intervals (Klein et al., 1982; Stuiver and Reimer, 1986; Stuiver and Reimer, 1993; Stuiver et al., 1998). The IntCal working group has continued this tradition with the active participation of researchers who produced the records that were considered for incorporation into the current, internationally-ratified calibration curves, IntCal04, SHCal04, and Marine04, for Northern Hemisphere terrestrial, Southern Hemisphere terrestrial, and marine samples, respectively (Reimer et al., 2004; Hughen et al., 2004; McCormac et al., 2004). Fairbanks et al. (2005), accompanied by a more technical paper, Chiu et al. (2005), and an introductory comment, Adkins (2005), recently published a ''calibration curve spanning 0-50,000 years''. Fairbanks et al. (2005) and Chiu et al. (2005) have made a significant contribution to the database on which the IntCal04 and Marine04 calibration curves are based. These authors have now taken the further step to derive their own radiocarbon calibration extending to 50,000 cal BP, which they claim is superior to that generated by the IntCal working group. In their papers, these authors are strongly critical of the IntCal calibration efforts for what they claim to be inadequate screening and sample pretreatment methods. While these criticisms may ultimately be helpful in identifying a better set of protocols, we feel that there are also several erroneous and misleading

  18. 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.

  19. Communication: Unraveling the {sup 4}He droplet-mediated soft-landing from ab initio-assisted and time-resolved density functional simulations: Au@{sup 4}He{sub 300}/TiO{sub 2}(110)

    SciTech Connect (OSTI)

    Lara-Castells, María Pilar de Aguirre, Néstor F.; Stoll, Hermann; Mitrushchenkov, Alexander O.; Mateo, David; Pi, Martí

    2015-04-07

    An ab-initio-based methodological scheme for He-surface interactions and zero-temperature time-dependent density functional theory for superfluid {sup 4}He droplets motion are combined to follow the short-time collision dynamics of the Au@{sup 4}He{sub 300} system with the TiO{sub 2}(110) surface. This composite approach demonstrates the {sup 4}He droplet-assisted sticking of the metal species to the surface at low landing energy (below 0.15 eV/atom), thus providing the first theoretical evidence of the experimentally observed {sup 4}He droplet-mediated soft-landing deposition of metal nanoparticles on solid surfaces [Mozhayskiy et al., J. Chem. Phys. 127, 094701 (2007) and Loginov et al., J. Phys. Chem. A 115, 7199 (2011)].

  20. 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)].

  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. NNSA orders security enhancements

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

    Administration | (NNSA) innovation fuels space exploration Wednesday, July 20, 2016 - 5:30pm The Curiosity rover, sporting Los Alamos' ChemCam, examines the Kimberley formation in Gale crater on Mars. Today, in accordance with a 1971 Presidential proclamation, the United States commemorates the first human setting foot on the moon. As a science agency, NNSA's technology and development have given rise to extraterrestrial innovation and enabled other-worldly achievements. From building the

  3. 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.

  4. 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

  5. OSTIblog Articles in the CSGB Topic | OSTI, US Dept of Energy Office of

    Office of Scientific and Technical Information (OSTI)

    Scientific and Technical Information CSGB Topic Celebrate National Chemistry Week 2010 - October 17-23 by Kate Bannan 15 Oct, 2010 in Science Communications 1878 Chem%20week_0.jpeg Celebrate National Chemistry Week 2010 - October 17-23 Read more about 1878 Chemistry has made countless contributions to enhancing modern life by making it more comfortable, safe and prosperous. Chemistry is a physical science that studies atoms, molecules, crystals and other aggregates of matter. Understanding

  6. 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

  7. 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

  8. Finding Transition Pathways Using the String Method with Swarms of

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

    Trajectories | Argonne Leadership Computing Facility Finding Transition Pathways Using the String Method with Swarms of Trajectories Authors: Pan, A.C., Sezer, D., Roux, B. An approach to find transition pathways in complex systems is presented. The method, which is related to the string method in collective variables of Maragliano et al. (J. Chem. Phys. 2006, 125, 024106), is conceptually simple and straightforward to implement. It consists of refining a putative transition path in the

  9. 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

  10. 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

  11. 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

  12. 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

  13. mark | The Ames Laboratory

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

    mark Ames Laboratory Profile Mark Gordon Associate Chemical & Biological Sciences 201 Spedding Phone Number: 515-294-0452 Email Address: mark@si.msg.chem.iastate.edu Ames Laboratory Associate and Distinguished Professor, Iowa State University Website(s): Mark Gordon's Quantum Theory Group Ames Laboratory Research Projects: Chemical Physics Theoretical/Computational Tools for Energy-Relevant Catalysis Education: Postdoctoral Associate, Iowa State University, 1967-1970 Ph.D. Carnegie-Mellon

  14. wangz-98.pdf

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

    1 Ozone Destruction in Continental Stratus Clouds: Experimental Evidence for Heterogeneous Chemistry Z. Wang and K. Sassen Department of Meteorology University of Utah Salt Lake City, Utah Introduction There is considerable interest in studying tropospheric ozone because of its role as a greenhouse gas and as a key element in tropospheric chemistry. Heterogeneous chem- istry involving reactions with aerosols and cloud droplets can affect O 3 in a number of ways. The results of model studies show

  15. January

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

    January January 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. 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) ChemCam follows the 'Yellowknife Road' to martian wet

  16. 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.

  17. 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

  18. 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

  19. Computational Studies of Nucleosome Stability | Argonne Leadership

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

    Computing Facility nucleosome 1KX5 Image of the nucleosome 1KX5 from the Protein Data Bank (from X. Zhu, TACC). This DNA/protein complex will serve as the primary target of simulation studies to be performed by the Schatz group as part of the INCITE program. Computational Studies of Nucleosome Stability PI Name: George Schatz PI Email: schatz@chem.northwestern.edu Institution: Northwestern University Allocation Program: INCITE Allocation Hours at ALCF: 20 Million Year: 2013 Research Domain:

  20. 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:

  1. Slide 1

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

    Mail-Order Metal-Organic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially Available Organic Molecules R. L. Martin, L.-C. Lin, K. Jariwala, B. Smit, M. Haranczyk, J. Phys. Chem. C 2013, 117 (23), 12159-12167. Highlighted on cover. Work was performed at University of California Berkeley and Lawrence Berkeley National Laboratory Scientific Achievement A database of isoreticular MOF-5 analogues comprising all commercially- available alternative linkers was

  2. 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

  3. State-of-the Art Simulations of Liquid Phenomena | Argonne Leadership

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

    Computing Facility The surface affinity of ions in aqueous solution can have a profound effect on the chemistry in a range of atmospheric phenomena. Credit: Spencer R. Pruitt, Argonne National Laboratory State-of-the Art Simulations of Liquid Phenomena PI Name: Mark Gordon PI Email: mark@si.msg.chem.iastate.edu Institution: Iowa State University Allocation Program: INCITE Allocation Hours at ALCF: 200 Million Year: 2015 Research Domain: Materials Science This project will study liquid

  4. State-of-the Art Simulations of Liquid Phenomena | Argonne Leadership

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

    Computing Facility a nitrate anion solvated by 32 water molecules The image shows a nitrate anion solvated by 32 water molecules after a molecular dynamics simulation. Spencer Pruitt, Argonne National Laboratory State-of-the Art Simulations of Liquid Phenomena PI Name: Mark Gordon PI Email: mark@si.msg.chem.iastate.edu Institution: Iowa State University Allocation Program: INCITE Allocation Hours at ALCF: 200 Million Year: 2016 Research Domain: Materials Science Under this INCITE award,

  5. 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.

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

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

    Laboratories 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 absorption and emission spectroscopies, macromolecular crystallography, x-ray scattering, and x-ray imaging. The labs are maintained for final-stage sample preparation and other relatively straight-forward laboratory manipulations. These include buffer preparations, solid sample grinding, solution

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

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

    Laboratories 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 x-ray absorption and emission spectroscopies, macromolecular crystallography, x-ray scattering, and x-ray imaging. The labs are maintained for final-stage sample preparation and other relatively straight-forward laboratory manipulations. These include buffer preparations, solid sample grinding,

  8. Confessions of a meteorite hunter

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

    Meteorite hunting Confessions of a meteorite hunter Picking meteorites up off of the Antarctic ice January 29, 2016 Lanza Lanza poses with a meteorite find. (Photo by Constantine Tsang.) The meteorites ANSMET finds may have fallen into the Antarctic snow thousands (if not millions) of years ago. Confessions of a meteorite hunter Nina Lanza knows space rocks. In her day job as a staff scientist at Los Alamos National Laboratory, she operates the Curiosity Rover's ChemCam, using a rock-vaporizing

  9. 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 Celebrate National Chemistry Week 2010 - October 17-23 by Kate Bannan on Fri, October 15, 2010 1878 Chem%20week_0.jpeg Celebrate National Chemistry Week 2010 - October 17-23 Read more about 1878 Chemistry has made countless contributions to enhancing modern life by making it more comfortable, safe and prosperous. Chemistry is a physical science that studies atoms, molecules, crystals and other aggregates of matter. Understanding the

  10. Caltech Campus Map and Directory 2011

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

    INT'L. S C HOLAR S E R VIC E S LIG O I INT'L. S C HOLAR S E R VIC E S LIG O LIG O LIG O S AN PAS QUAL S T. HOLLIS TON AVE . HILL AVE . C ALIFOR NIA B LVD. DE L MAR B LVD. WILS ON AVE . C ATALINA AVE . S AN PAS QUAL S T. C HE S TE R AVE . MIC HIG AN AVE . A R D E N R D . S AN PAS QUAL S HOLLIS TON AVE . S S C a m p u s D i r e c to r y M a p A B C D E 1 2 3 4 5 MOOR E AVE R Y FINANC IAL PAS ADE NA FIR E S TATION # 34 IMS S B E C KMAN AUD B AXTE R KE C K S E R VIC E S WATSON C E S H R STEELE LAB

  11. 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

  12. 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.

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

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

    00 Florida Int'l Univ Miami, FL The Ohio State University, Columbus, Ohio FE/TDIC/Coal/ETP Jessica Mullen The Fundamental Creep Behavior Model of Gr.91 Alloy by Integrated Computational In the current proposed work, the Recipient shall mainly investigate the Gr.91 base alloy and weldment with the Integrated Computational Materials Engineering (ICME) approach. JESSICA MULLEN Digitally signed by JESSICA MULLEN DN: c=US, o=U.S. Government, ou=Department of Energy, cn=JESSICA MULLEN,

  14. Combined Heat and Power Technology Fact Sheets Series: Reciprocating Engines

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

    Heat and Power Technology Fact Sheet Series Reciprocating Engines Reciprocating internal combustion engines are a mature tech- nology used for power generation, transportation, and many other purposes. Worldwide production of reciprocating internal combustion engines exceeds 200 million units per year. 1 For CHP installations, reciprocating engines have capacities that range from 10 kW to 10 MW. Multiple engines can be inte- grated to deliver capacities exceeding 10 MW in a single plant. Several

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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. United States Industrial Motor Systems Market Opportunities Assessment:

  20. Industry Research for Pipeline Systems Panel

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

    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, Brazil, China,

  1. 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.

  2. 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

  3. Keck-I MOSFIRE spectroscopy of compact star-forming galaxies at z ≳ 2: high velocity dispersions in progenitors of compact quiescent galaxies

    SciTech Connect (OSTI)

    Barro, Guillermo; Koo, David C.; Faber, Sandra M.; Guo, Yicheng; Toloba, Elisa; Fang, Jerome J.; Trump, Jonathan R.; Dekel, Avishai; Kassin, Susan A.; Koekemoer, Anton M.; Kocevski, Dale D.; Van der Wel, Arjen; Pérez-González, Pablo G.; Pacifici, Camilla; Simons, Raymond; Campbell, Randy D.; Goodrich, Bob; Kassis, Marc; Ceverino, Daniel; Finkelstein, Steven L.; and others

    2014-11-10

    We present Keck-I MOSFIRE near-infrared spectroscopy for a sample of 13 compact star-forming galaxies (SFGs) at redshift 2 ≤ z ≤ 2.5 with star formation rates of SFR ∼ 100 M {sub ☉} yr{sup –1} and masses of log(M/M {sub ☉}) ∼10.8. Their high integrated gas velocity dispersions of σ{sub int} =230{sub −30}{sup +40} km s{sup –1}, as measured from emission lines of Hα and [O III], and the resultant M {sub *}-σ{sub int} relation and M {sub *}-M {sub dyn} all match well to those of compact quiescent galaxies at z ∼ 2, as measured from stellar absorption lines. Since log(M {sub *}/M {sub dyn}) =–0.06 ± 0.2 dex, these compact SFGs appear to be dynamically relaxed and evolved, i.e., depleted in gas and dark matter (<13{sub −13}{sup +17}%), and present larger σ{sub int} than their non-compact SFG counterparts at the same epoch. Without infusion of external gas, depletion timescales are short, less than ∼300 Myr. This discovery adds another link to our new dynamical chain of evidence that compact SFGs at z ≳ 2 are already losing gas to become the immediate progenitors of compact quiescent galaxies by z ∼ 2.

  4. More light on the 2ν{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 [η{sub s} = 0.05, W. Holzer and R. Ouillon, Chem. Phys. Lett. 24, 589 (1974)], the 2ν{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|Δα|000000〉| was derived and this value was found to be comparable to that of the mean-polarizability ((000020), α{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}.

  5. Comments on the optical lineshape function: Application to transient hole-burned spectra of bacterial reaction centers

    SciTech Connect (OSTI)

    Reppert, Mike; Kell, Adam; Pruitt, Thomas; Jankowiak, Ryszard

    2015-03-07

    The vibrational spectral density is an important physical parameter needed to describe both linear and non-linear spectra of multi-chromophore systems such as photosynthetic complexes. Low-temperature techniques such as hole burning (HB) and fluorescence line narrowing are commonly used to extract the spectral density for a given electronic transition from experimental data. We report here that the lineshape function formula reported by Hayes et al. [J. Phys. Chem. 98, 7337 (1994)] in the mean-phonon approximation and frequently applied to analyzing HB data contains inconsistencies in notation, leading to essentially incorrect expressions in cases of moderate and strong electron-phonon (el-ph) coupling strengths. A corrected lineshape function L(ω) is given that retains the computational and intuitive advantages of the expression of Hayes et al. [J. Phys. Chem. 98, 7337 (1994)]. Although the corrected lineshape function could be used in modeling studies of various optical spectra, we suggest that it is better to calculate the lineshape function numerically, without introducing the mean-phonon approximation. New theoretical fits of the P870 and P960 absorption bands and frequency-dependent resonant HB spectra of Rb. sphaeroides and Rps. viridis reaction centers are provided as examples to demonstrate the importance of correct lineshape expressions. Comparison with the previously determined el-ph coupling parameters [Johnson et al., J. Phys. Chem. 94, 5849 (1990); Lyle et al., ibid. 97, 6924 (1993); Reddy et al., ibid. 97, 6934 (1993)] is also provided. The new fits lead to modified el-ph coupling strengths and different frequencies of the special pair marker mode, ω{sub sp}, for Rb. sphaeroides that could be used in the future for more advanced calculations of absorption and HB spectra obtained for various bacterial reaction centers.

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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.

  11. Members | Center for Gas Separations

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

    Members Novel MOFs Membranes Character-ization Compu-tation Alumni Admin-istration Novel MOFs Principal Investigators Jeffrey R. Long Omar M. Yaghi Hong-Cai (Joe) Zhou Researchers Gokhan Barin Postdoctoral Researcher University of California, Berkeley barin@berkeley.edu Development of high capacity porous organic polymers for toxic gas removal from air Ying-Pin Chen PhD Student Texas A&M University ying-pin.chen@chem.tamu.edu Investigation of CO2/CH4 adsorption behavior in MOFs and

  12. 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

  13. 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

  14. Publications, 2016 | MIT-Harvard Center for Excitonics

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

    6 2016 Khalid AlKaabi, Casey R. Wade, Mircea DincăTransparent-to-Dark Electrochromic Behavior in Naphthalene-Diimide-Based Mesoporous MOF-74 AnalogsChem, Volume 1, Issue 2, p264-272, 11 August 2016, DOI: http://dx.doi.org/10.1016/j.chempr.2016.06.013 website Chen, Tianran, and Brian Skinner Enhancement of hopping conductivity by spontaneous fractal ordering of low-energy sitesarXiv preprint arXiv:1606.01551 (2016) Mark C. Weidman†, Michael Seitz†, Samuel D. Stranks‡§, and William A.

  15. Alkaline Anion Exchange Membrane Fuel Cells (AEM-FC) Status

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

    Alkaline Anion Exchange Membrane Fuel Cells (AEM-FC) Status Dario R. Dekel Associate Professor Wolfson Department of Chemical Engineering Grand Technion Energy Program (GTEP) Technion - Israel Institute of Technology dario@technion.ac.il 2016 Alkaline Membrane Fuel Cell Workshop Sheraton Grand Phoenix Phoenix, AZ - April 1, 2016 Early days in AEM-FC 153mm 78mm 51mm 4mg/cm 2 PtRu, 4mg/cm 2 Pt black, RH=100%, H 2 / O 2  0.8V @80mA/cm 2 (130mW/cm 2 ) Dario R. Dekel Varcoe et al., Chem. Mater.

  16. Current noise spectra and mechanisms with dissipaton equation of motion theory

    SciTech Connect (OSTI)

    Jin, Jinshuang; Wang, Shikuan; Zheng, Xiao; Yan, YiJing

    2015-06-21

    Based on the Yan’s dissipaton equation of motion (DEOM) theory [J. Chem. Phys. 140, 054105 (2014)], we investigate the characteristic features of current noise spectrum in several typical transport regimes of a single-impurity Anderson model. Many well-known features such as Kondo features are correctly recovered by our DEOM calculations. More importantly, it is revealed that the intrinsic electron cotunneling process is responsible for the characteristic signature of current noise at anti-Stokes frequency. We also identify completely destructive interference in the noise spectra of noninteracting systems with two degenerate transport channels.

  17. Micromachines

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

    of SENSING & SENSORS Micromachines and Sensors: the Road Ahead Sandia's µChemLab TM Quickly Identifies Hazards A QUARTERLY RESEARCH & DEVELOPMENT JOURNAL VOLUME 4, NO. 3 S A N D I A T E C H N O L O G Y Sandia Technology is a quarterly journal published by Sandia National Laboratories. Sandia is a multiprogram engineering and science laboratory operated by Sandia Corporation, a Lockheed Martin company, for the Department of Energy. With main facilities in Albuquerque, New Mexico, and

  18. 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

  19. 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

  20. c3gc42138d 824..835 ++

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

    Green Chemistry PAPER Cite this: Green Chem., 2014, 16, 824 Received 16th October 2013, Accepted 7th November 2013 DOI: 10.1039/c3gc42138d www.rsc.org/greenchem Lignin depolymerisation by nickel supported layered-double hydroxide catalysts† Matthew R. Sturgeon, a,b Marykate H. O'Brien, a,b Peter N. Ciesielski, c Rui Katahira, a Jacob S. Kruger, a Stephen C. Chmely,‡ a Jessica Hamlin, a,b Kelsey Lawrence, a,b Glendon B. Hunsinger, a Thomas D. Foust, a,b Robert M. Baldwin, a,b Mary J. Biddy*

  1. 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

  2. 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.

  3. 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: September 1, 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

  4. 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,

  5. BSM Newsletter July 2016

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

    July 2016 At the Bradbury Latest Issue:September 2016 all issues All Issues » submit IN THIS ISSUE "Vaseline" (aka uranium) glass artifact on display A black light will tell you if it's the real thing What if there was never an atomic bomb? A Museum educator answers a hypothetical New model predicts once-mysterious chemical reactions Results could tell us about cooling mechanisms of the early universe and the formation of planets and stars ChemCam findings hint at oxygen-rich past on

  6. 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.

  7. 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

  8. 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.

  9. UNCLASSIFIED CSES Planetary Science Lecture Series

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

    CSES Planetary Science Lecture Series Nina Lanza LANL, ISR-2 Oxidation of Manganese at Kimberley, Gale Crater: More Free Oxygen in Mars' Past? Thursday, August 25, 2016 10:00 AM Quantum Conference Room (TA-03, Bldg 0040, Room N101) Abstract. Recent results from the ChemCam instrument on the Curiosity rover has discovered high concentrations of manganese in rocks in Gale crater, some of which are inferred to be Mn-oxide minerals. On Earth, manganese deposits provide unique indicators of

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 1

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

    Water 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

  15. 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

  16. 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

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

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

    Center CEFRC Intranet (Members Only) CEFRC Intranet (Members Only) 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.edu/groups/cefrcwiki/ A few reminders: The intranet functions fine with Safari 4.0 or Firefox 3.5 but does not work with Firefox 2.0. The very first time you go to the intranet with either Firefox or Safari, it will alert you to the fact that it is an unrecognized site,and there

  18. Innovation Award

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

    and Chemical Engineering Team win the first Innovation Award from LSU's Center for Atomic Level Catalyst Design (DOE -EFRC) A research grant of $100,000 was won by LSU team to investigate correlation of electronic structure of ligand-protected gold clusters with their catalytic activity. The LSU team consists of CAMD's Challa Kumar & Yaroslav Losovyj and Chem.Eng's Nandakumar Krishnaswamy. The other Co-PIs in the team led by Challa Kumar are : David Bruce(Clemson University), Jongh, P.E. de

  19. Investigators - Center for Solar and Thermal Energy Conversion

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

    Investigators Director Name Department Email Peter Green MSE/ChemE pfgreen@umich.edu Principal Investigators Name Department Email Akram Boukai MSE boukai@umich.edu Roy Clarke Physics royc@umich.edu Barry Dunietz Chemistry bdunietz@umich.edu Steve Forrest EECS/Phys/MSE stevefor@umich.edu Eitan Geva Chemistry eitan@umich.edu Rachel Goldman MSE/EECS/Phys rsgold@umich.edu Ted Goodson Chemistry tgoodson@umich.edu L (Jay) Guo EECS guo@umich.edu Massoud Kaviany ME kaviany@umich.edu John Kieffer MSE

  20. Low Temperature Assembly of Functional 3D DNA-PNA-Protein Complexes

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

    Low Temperature Assembly of Functional 3D DNA-PNA-Protein Complexes Authors: Flory, J. D., Simmons, C. R., Lin, S., Johnson, T., Andreoni, A., Zook, J., Ghirlanda, G., Liu, Y., Yan, H., and Fromme, P. Title: Low Temperature Assembly of Functional 3D DNA-PNA-Protein Complexes Source: J. Am. Chem. Soc. Year: 2014 Volume: 136 (23) Pages: 8283-8295 ABSTRACT: Proteins have evolved to carry out nearly all the work required of living organisms within complex inter and intracellular environments.