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Sample records for degas blu ff

  1. Neutral gas transport modeling with DEGAS 2

    SciTech Connect (OSTI)

    Stotler, D.; Karney, C.

    1993-10-01

    We are currently rewriting the neutral gas transport code, DEGAS with a view to not only making it faster, but also easing the process of including new physics. The goal is to make adding new species and reactions relatively simple so that the code can be rapidly adapted to new divertor physics regimes. DEGAS 2 will also be optimized for coupling to fluid plasma codes, incorporating many of the techniques utilized in B2-EIRENE. Finally, it is our intention that DEGAS 2, like DEGAS, be well-documented and easy to use. We ill present model calculations including ionization and charge exchange which will illustrate the way reactions are included into DEGAS 2 and will demonstrate operation of the code on a distributed network of workstations.

  2. OBSERVATION O F T H E FORBIDDEN MAGNETIC DIPOLE TRANSITION 62P%+72P%IN ATOMIC THALLIUM

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

    GROVE C OAL D EGAS CEDAR COVE COAL D EGAS BLU E CREEK COAL DEGAS BR OOKWOOD C OAL D EGAS ST AR ROBIN SONS BEND COAL D EGAS BLU FF COR INNE MOU NDVILLE COAL D EGAS BLU EGU T CR EEK WH ITE OAK CREEK COAL DEGAS BEAVERT ON BLU FF FAYETTE W SN EAD S CREEK SPLU NGE PAR HAM N MUSGR OVE CR EEK MCCRAC KEN MOU NTAIN DAVIS C HAPEL BAC ON BLOOMING GROVE MT Z ION FAIRVIEW JASPER BLOWHORN CREEK MAPLE BRAN CH KEN NEDY COAL F IRE CR EEK MCGEE LAKE SILOAM MILLPOR T FERNBANK DAVIS C HAPEL NE DETROIT E BEANS F

  3. Popular Science Recognizes Innovative Solar Technologies

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

    COAL D EGAS BLU E CREEK COAL DEGAS BR OOKWOOD C OAL D EGAS ST AR ROBIN SONS BEND COAL D EGAS BLU FF COR INNE MOU NDVILLE COAL D EGAS BLU EGU T CR EEK WH ITE OAK CREEK COAL DEGAS BEAVERT ON BLU FF FAYETTE W SN EAD S CREEK SPLU NGE PAR HAM N MUSGR OVE CR EEK MCCRAC KEN MOU NTAIN DAVIS C HAPEL BAC ON BLOOMING GROVE MT Z ION FAIRVIEW JASPER BLOWHORN CREEK MAPLE BRAN CH KEN NEDY COAL F IRE CR EEK MCGEE LAKE SILOAM MILLPOR T FERNBANK DAVIS C HAPEL NE DETROIT E BEANS F ERRY LEXIN GT ON PET ERSON COAL

  4. Comparison of Gas Puff Imaging Data in NSTX with the DEGAS 2 Simulation

    Office of Scientific and Technical Information (OSTI)

    (Technical Report) | SciTech Connect Comparison of Gas Puff Imaging Data in NSTX with the DEGAS 2 Simulation Citation Details In-Document Search Title: Comparison of Gas Puff Imaging Data in NSTX with the DEGAS 2 Simulation Gas-Pu -Imaging (GPI) is a two dimensional diagnostic which measures the edge Dα light emission from a neutral Dα gas puff near the outer mid- plane of the National Spherical Torus Experiment (NSTX). DEGAS 2 is a 3-D Monte Carlo code used to model neutral transport and

  5. Systematic characterization of degas-driven flow for poly(dimethylsiloxane) microfluidic devices

    SciTech Connect (OSTI)

    Liang, David Y. [Univ. of California, Berkeley, CA (United States) Biomolecular Nanotechnology Center, Berkeley Sensor and Actuator Center; Tentori, Augusto M. [Univ. of California, Berkeley, CA (United States) Biomolecular Nanotechnology Center, Berkeley Sensor and Actuator Center; Dimov, Ivan K. [Univ. of California, Berkeley, CA (United States) Biomolecular Nanotechnology Center, Berkeley Sensor and Actuator Center; Univ. de Valapariso, Valapariso (Chile); Lee, Luke P. [Univ. of California, Berkeley, CA (United States) Biomolecular Nanotechnology Center, Berkeley Sensor and Actuator Center

    2011-01-01

    Degas-driven flow is a novel phenomenon used to propel fluids in poly(dimethylsiloxane) (PDMS)-based microfluidic devices without requiring any external power. This method takes advantage of the inherently high porosity and air solubility of PDMS by removing air molecules from the bulk PDMS before initiating the flow. The dynamics of degas-driven flow are dependent on the channel and device geometries and are highly sensitive to temporal parameters. These dependencies have not been fully characterized, hindering broad use of degas-driven flow as a microfluidic pumping mechanism. Here, we characterize, for the first time, the effect of various parameters on the dynamics of degas-driven flow, including channel geometry, PDMS thickness, PDMS exposure area, vacuum degassing time, and idle time at atmospheric pressure before loading. We investigate the effect of these parameters on flow velocity as well as channel fill time for the degas-driven flow process. Using our devices, we achieved reproducible flow with a standard deviation of less than 8% for flow velocity, as well as maximum flow rates of up to 3 nL/s and mean flow rates of approximately 1-1.5 nL/s. Parameters such as channel surface area and PDMS chip exposure area were found to have negligible impact on degas-driven flow dynamics, whereas channel cross-sectional area, degas time, PDMS thickness, and idle time were found to have a larger impact. In addition, we develop a physical model that can predict mean flow velocities within 6% of experimental values and can be used as a tool for future design of PDMS-based microfluidic devices that utilize degas-driven flow.

  6. Systematic characterization of degas-driven flow for poly(dimethylsiloxane) microfluidic devices

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

    Liang, David Y.; Tentori, Augusto M.; Dimov, Ivan K.; Lee, Luke P.

    2011-01-01

    Degas-driven flow is a novel phenomenon used to propel fluids in poly(dimethylsiloxane) (PDMS)-based microfluidic devices without requiring any external power. This method takes advantage of the inherently high porosity and air solubility of PDMS by removing air molecules from the bulk PDMS before initiating the flow. The dynamics of degas-driven flow are dependent on the channel and device geometries and are highly sensitive to temporal parameters. These dependencies have not been fully characterized, hindering broad use of degas-driven flow as a microfluidic pumping mechanism. Here, we characterize, for the first time, the effect of various parameters on the dynamics ofmore » degas-driven flow, including channel geometry, PDMS thickness, PDMS exposure area, vacuum degassing time, and idle time at atmospheric pressure before loading. We investigate the effect of these parameters on flow velocity as well as channel fill time for the degas-driven flow process. Using our devices, we achieved reproducible flow with a standard deviation of less than 8% for flow velocity, as well as maximum flow rates of up to 3 nL/s and mean flow rates of approximately 1-1.5 nL/s. Parameters such as channel surface area and PDMS chip exposure area were found to have negligible impact on degas-driven flow dynamics, whereas channel cross-sectional area, degas time, PDMS thickness, and idle time were found to have a larger impact. In addition, we develop a physical model that can predict mean flow velocities within 6% of experimental values and can be used as a tool for future design of PDMS-based microfluidic devices that utilize degas-driven flow.« less

  7. vanDuin_ReaxFF

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

    The second ReaxFF application connects with Second Harmonic Generation (SHG) studies, which indicate that protonation and deprotonation of surface SiOH groups are unimpeded in the ...

  8. Comparison of Gas Puff Imaging Data in NSTX with the DEGAS 2 Simulation

    SciTech Connect (OSTI)

    Cao, B.; Stotler, D. P.; Zweben, S. J.; Bell, M.; Diallo, A.; Leblanc, B.

    2012-10-27

    Gas-Puff-Imaging (GPI) is a two dimensional diagnostic which measures the edge D? light emission from a neutral D2 gas puff nears the outer mid-plane of NSTX. DEGAS 2 is a 3-D Monte Carlo code used to model neutral transport and atomic physics in tokamak plasmas. In this paper we compare measurements of the D? light emission obtained by GPI on NSTX with DEGAS 2 simulations of D? light emission for specific experiments. Both the simulated spatial distribution and absolute intensity of the D? light emission agree well with the experimental data obtained between ELMs in H-mode.

  9. Comparison of Gas Puff Imaging Data in NSTX with the DEGAS 2 Simulation

    SciTech Connect (OSTI)

    Cao, B.; Stotler, D. P.; Zweben, S. J.; Bell, M.; Diallo, A.; Leblanc, B.

    2012-11-08

    Gas-Puff-Imaging (GPI) is a two dimensional diagnostic which measures the edge D? light emission from a neutral D2 gas puff nears the outer mid-plane of NSTX. DEGAS 2 is a 3-D Monte Carlo code used to model neutral transport and atomic physics in tokamak plasmas. In this paper we compare measurements of the D? light emission obtained by GPI on NSTX with DEGAS 2 simulations of D? light emission for specific experiments. Both the simulated spatial distribution and absolute intensity of the D? light emission agree well with the experimental data obtained between ELMs in H-mode. __________________________________________________

  10. ANL-FF-262i

    Office of Legacy Management (LM)

    , v-W&, ANL-FF-262i This document consists of 1 page, No.>f 7 copies. SeriesA. -,-- 22 February 1952 TO; B. Blumenthal Metallurgy From: H, Luetzow Metallurgy Re: HIGH PURITY CRANIUM TO BE ROLLID TO FOIL M r, E. Creutz of the Carnegie Institute of Technology has requested ten square inches of uranium foil 0.1 mil to 1 nil thick., The possibility of pro- ducing foil of this thickness from our foundry's graphite-melted uranium is remote because of the metalIs high carbon content. High purity

  11. OAK GROVE C OAL D EGAS CEDAR COVE COAL D EGAS BLU E CREEK COAL...

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

    NETT LET ON ABERD EEN E TAYLOR CREEK COAL DEGAS HAMILTON S GIBSON LITT LE H ELLS CREEK WAT ... NEW HOPE AMORY BIN ION CREEK TANYARD C REEK HAMILTONMSD WH ITES SH ANNON E RPDTU ...

  12. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

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

    BIG PINEY TIP TOP BIR D CANYON SWAN FONTEN ELL E LABARGE HOGSBACK CHIMNEY BUT TE BIG PINEY AREA TIP TOP UNI T LINCOLN ROAD BLU E FOREST DEER HILL FOGART Y CREEK GREEN RIVER BEND ...

  13. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

    Gasoline and Diesel Fuel Update (EIA)

    (1) and Robert King (2) (1) Z, Inc., (2) Energy Information Administration BIG PINEY TIP ... BLU E FOREST SWAN DEER HILL FOGART Y CREEK GREEN RIVER BEND DRY PINEY SWAN S HOGSBACK AREA ...

  14. Summary of Degas II performance at the US Strategic Petroleum Reserve Big Hill site.

    SciTech Connect (OSTI)

    Rudeen, David K.; Lord, David L.

    2007-10-01

    Crude oil stored at the US Strategic Petroleum Reserve (SPR) requires mitigation procedures to maintain oil vapor pressure within program delivery standards. Crude oil degasification is one effective method for lowering crude oil vapor pressure, and was implemented at the Big Hill SPR site from 2004-2006. Performance monitoring during and after degasification revealed a range of outcomes for caverns that had similar inventory and geometry. This report analyzed data from SPR degasification and developed a simple degas mixing (SDM) model to assist in the analysis. Cavern-scale oil mixing during degassing and existing oil heterogeneity in the caverns were identified as likely causes for the range of behaviors seen. Apparent cavern mixing patterns ranged from near complete mixing to near plug flow, with more mixing leading to less efficient degassing due to degassed oil re-entering the plant before 100% of the cavern oil volume was processed. The report suggests that the new cavern bubble point and vapor pressure regain rate after degassing be based on direct in-cavern measurements after degassing as opposed to using the plant outlet stream properties as a starting point, which understates starting bubble point and overstates vapor pressure regain. Several means to estimate the cavern bubble point after degas in the absence of direct measurement are presented and discussed.

  15. Hanford Site - 300-FF-3 | Department of Energy

    Office of Environmental Management (EM)

    300-FF-3 Hanford Site - 300-FF-3 July 1, 2014 - 12:00pm Addthis US Department of Energy Groundwater Database Groundwater Master Report InstallationName, State: Hanford, WA Responsible DOE Office: Office of Environmental Management Plume Name: 300-FF-3 Remediation Contractor: CHPRC PBS Number: 30 Report Last Updated: July 2014 with CY2013 data Contaminants Halogenated VOCs/SVOCs Present?: Yes VOC Name Concentration (ppb) Regulatory Driver Cleanup Requirement DCE 220 Yes 16 (CUL) TCE 430 Yes 4

  16. Mesquite Solar Plan - build out next to existing FF plants Solar...

    Open Energy Info (EERE)

    Mesquite Solar Plan - build out next to existing FF plants Solar Power Plant Jump to: navigation, search Name Mesquite Solar Plan - build out next to existing FF plants Solar Power...

  17. Statement of Work for Drilling Four CERCLA Groundwater Monitoring Wells During Fiscal Year 2006, 300-FF-5 Operable Unit

    SciTech Connect (OSTI)

    Williams, Bruce A.

    2005-10-10

    This document contains the statement of work required to drill, characterize, and construct the proposed groundwater monitoring wells at 300-FF-5 Operable Unit during FY 2006.

  18. Final Hazard Categorization for the Remediation of Six 300-FF-2 Operable Unit Solid Waste Burial Grounds

    SciTech Connect (OSTI)

    J. D. Ludowise; K. L. Vialetti

    2008-05-12

    This report provides the final hazard categorization for the remediation of six 300-FF-2 Operable Unit Burial Grounds, the 618-1, 618-2, 618-3, 618-7, 618-8, and 618-13 sites.

  19. ReaxFF Study of the Oxidation of Softwood Lignin in View of Carbon Fiber Production

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

    Beste, Ariana

    2014-01-01

    We investigate the oxidative, thermal conversion of softwood lignin by performing molecular dynamics simulations based on a reactive force field (ReaxFF). The lignin samples are constructed from coniferyl alcohol units, which are connected through linkages that are randomly selected from a natural distribution of linkages in softwood. The goal of this work is to simulate the oxidative stabilization step during carbon fiber production from lignin precursor. We find that at simulation conditions where stabilization reactions occur, the lignin fragments have already undergone extensive degradation. The 5-5 linkage shows the highest reactivity towards cyclization and dehydrogenation.

  20. Current Conditions Risk Assessment for the 300-FF-5 Groundwater Operable Unit

    SciTech Connect (OSTI)

    Miley, Terri B.; Bunn, Amoret L.; Napier, Bruce A.; Peterson, Robert E.; Becker, James M.

    2007-11-01

    This report updates a baseline risk assessment for the 300 Area prepared in 1994. The update includes consideration of changes in contaminants of interest and in the environment that have occurred during the period of interim remedial action, i.e., 1996 to the present, as well as the sub-regions, for which no initial risk assessments have been conducted. In 1996, a record of decision (ROD) stipulated interim remedial action for groundwater affected by releases from 300 Area sources, as follows: (a) continued monitoring of groundwater that is contaminated above health-based levels to ensure that concentrations continue to decrease, and (b) institutional controls to ensure that groundwater use is restricted to prevent unacceptable exposure to groundwater contamination. In 2000, the groundwater beneath the two outlying sub-regions was added to the operable unit. In 2001, the first 5-year review of the ROD found that the interim remedy and remedial action objectives were still appropriate, although the review called for additional characterization activities. This report includes a current conditions baseline ecological and human health risk assessment using maximum concentrations in the environmental media of the 300-FF-5 Operable Unit and downstream conditions at the City of Richland, Washington. The scope for this assessment includes only current measured environmental concentrations and current use scenarios. Future environmental concentrations and future land uses are not considered in this assessment.

  1. Final Hazard Categorization for the Remediation of Six 300-FF-2 Operable Unit Solid Waste Burial Grounds

    SciTech Connect (OSTI)

    J. D. Ludowise

    2006-12-12

    This report provides the final hazard categorization (FHC) for the remediation of six solid waste disposal sites (referred to as burial grounds) located in the 300-FF-2 Operable Unit (OU) on the Hanford Site. These six sites (618-1, 618-2, 618-3, 618-7, 618-8, and 618-13 Burial Grounds) were determined to have a total radionuclide inventory (WCH 2005a, WCH 2005d, WCH 2005e and WCH 2006b) that exceeds the DOE-STD-1027 Category 3 threshold quantity (DOE 1997) and are the subject of this analysis. This FHC document examines the hazards, identifies appropriate controls to manage the hazards, and documents the FHC and commitments for the 300-FF-2 Burial Grounds Remediation Project.

  2. Surface radiation survey and soil sampling of the 300-FF-1 operable unit, Hanford Site, southeastern Washington: A case study

    SciTech Connect (OSTI)

    Teel, S.S.; Olsen, K.B.

    1990-10-01

    The methods used for conducting a radiological characterization of the soil surface for the Phase I Remedial Investigation of a Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) site is presented via a case study. The study site is an operable unit (300-FF-1) located in and adjacent to the 300 Area of the US Department of Energy's Hanford Site in southeastern Washington State. The operable unit contains liquid and solid waste disposal facilities associated with nuclear fuels fabrication. Continuous surface radiation surveying and soil sampling of selected locations were conducted. Contamination was found in several locations within the operable unit including areas near the liquid and solid waste disposal facilities. Instruments used during surveying included portable beta/gamma (P-11) detectors, and the Ultrasonic Ranging and Data System using an NaI (Tl) detector. Laboratory analyses results indicate that above-background radiation levels were primarily due to the presence of uranium. Both types of field instruments used in the study were effective in detecting surface contamination from radionuclides; however, each had specific advantages. Guidelines are presented for the optimum use of these instruments when performing a radiological characterization of the soil surface. 4 refs., 3 figs., 3 tabs.

  3. Theoretical Investigation of Hydrogen Adsorption and Dissociation on Iron and Iron Carbide Surfaces Using the ReaxFF Reactive Force Field Method

    SciTech Connect (OSTI)

    Zou, Chenyu; van Duin, Adri C.T.; Sorescu, Dan C.

    2012-06-01

    We have developed a ReaxFF reactive force field to describe hydrogen adsorption and dissociation on iron and iron carbide surfaces relevant for simulation of FischerTropsch (FT) synthesis on iron catalysts. This force field enables large system (>>1000 atoms) simulations of hydrogen related reactions with iron. The ReaxFF force field parameters are trained against a substantial amount of structural and energetic data including the equations of state and heats of formation of iron and iron carbide related materials, as well as hydrogen interaction with iron surfaces and different phases of bulk iron. We have validated the accuracy and applicability of ReaxFF force field by carrying out molecular dynamics simulations of hydrogen adsorption, dissociation and recombination on iron and iron carbide surfaces. The barriers and reaction energies for molecular dissociation on these two types of surfaces have been compared and the effect of subsurface carbon on hydrogen interaction with iron surface is evaluated. We found that existence of carbon atoms at subsurface iron sites tends to increase the hydrogen dissociation energy barrier on the surface, and also makes the corresponding hydrogen dissociative state relatively more stable compared to that on bare iron. These properties of iron carbide will affect the dissociation rate of H{sub 2} and will retain more surface hydride species, thus influencing the dynamics of the FT synthesis process.

  4. Radiation Characterization Summary: ACRR Central Cavity Free-Field Environment with the 32-Inch Pedestal at the Core Centerline (ACRR-FF-CC-32-cl).

    SciTech Connect (OSTI)

    Vega, Richard Manuel; Parma, Edward J.; Naranjo, Gerald E.; Lippert, Lance L.; Vehar, David W.; Griffin, Patrick J.

    2015-08-01

    This document presents the facilit y - recommended characteri zation o f the neutron, prompt gamma - ray, and delayed gamma - ray radiation fields in the Annular Core Research Reactor ( ACRR ) for the cen tral cavity free - field environment with the 32 - inch pedestal at the core centerline. The designation for this environmen t is ACRR - FF - CC - 32 - cl. The neutron, prompt gamma - ray , and delayed gamma - ray energy spectra , uncertainties, and covariance matrices are presented as well as radial and axial neutron and gamma - ray fluence profiles within the experiment area of the cavity . Recommended constants are given to facilitate the conversion of various dosimetry readings into radiation metrics desired by experimenters. Representative pulse operations are presented with conversion examples . Acknowledgements The authors wish to th ank the Annular Core Research Reactor staff and the Radiation Metrology Laboratory staff for their support of this work . Also thanks to David Ames for his assistance in running MCNP on the Sandia parallel machines.

  5. ANL-FF-262i

    Office of Legacy Management (LM)

    from our foundry's graphite-melted uranium is remote because of the metalIs high carbon content. High purity metal isto be considered a possible solution of many of the...

  6. FF CADDCAP_FR1.book

    National Nuclear Security Administration (NNSA)

    contamination are not cost effective. Second, because of the high remediation costs, closure in place with monitoring and institutional controls is the only likely...

  7. O10'I'uf^^ff%

    Office of Legacy Management (LM)

    southwest of the Maywood site. A diagram of the property showing the approximate prop- erty boundaries and excavated areas is shown in Fig. 3. This location is one in a...

  8. DEGAS 2 Daren Stotler and Charles Karney | Princeton Plasma Physics Lab

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

    DECOMPOSITION OF CALCIUM SULFATE: A REVIEW OF THE LITERATURE W. M. Swift, A. F. Panek, G. W. Smith, 0 . J. Vogel, and A. A. Jonke " . . " """ "--..- ARGONNE NATIONAL LABORATORY, ARGONNE, ILLINOIS nder Contract W-31-109-Eng-3 DISCLAIMER This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency Thereof, nor any of their employees, makes any warranty, express or implied, or

  9. Comparison of Gas Puff Imaging Data in NSTX with the DEGAS 2...

    Office of Scientific and Technical Information (OSTI)

    ... The points along each contour are separated by 1 cm. The fundamental geo- metric elements in a particular toroidal plane are triangles drawn between adjacent points on adjacent ...

  10. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

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

    The boundaries are not informed by subsurface structural information. The data and methods ... BIG PINEY TIP TOP BIR D CANYON SWAN FONTEN ELL E LABARGE HOGSBACK CHIMNEY BUT TE BIG PINEY ...

  11. OAK GROVE C OAL D EGAS CEDAR COVE COAL D EGAS BLU E CREEK COAL...

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

    ... MILITARY GROVE HAMILTONMSD BIG CR EEKALD TAYLOR CREEK COAL D EGAS MAT UBBY CREEK ... Authors: Sam Limerick (1), Lucy Luo (1), Gary Long (2), David Morehouse (2), Jack Perrin ...

  12. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED...

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

    Gas Reserve Class No 2001 gas reserves 0.1 - 10 MMCF 10.1 - 100 MMCF 100.1 - 1,000 MMCF 1,000.1 - 10,000 MMCF 10,000.1 - 100,000 MMCF > 100,000 MMCF Basin Outline Total Total Total...

  13. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED...

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

    Liquids Reserve Class No 2001 liquids reserves 0.1 - 10 Mbbl 10.1 - 100 Mbbl 100.1 - 1,000 Mbbl 1,000.1 - 10,000 Mbbl 10,000.1 - 100,000 Mbbl Basin Outline Total Total Total Number...

  14. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED...

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

    BOE Reserve Class No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1,000 MBOE 1,000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Basin Outline Total Total Total...

  15. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED WASH

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

    BOE Reserve Class No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1,000 MBOE 1,000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Basin Outline Total Total Total Number Liquid Gas BOE of Reserves Reserves Reserves Fields (Mbbl) (MMcf) (Mbbl) Uinta-Piceance 180 254,329 7,181,669 1,451,274 Basin Uinta-Piceance Basin Oil & Gas Fields By 2001 BOE

  16. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED WASH

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

    Gas Reserve Class No 2001 gas reserves 0.1 - 10 MMCF 10.1 - 100 MMCF 100.1 - 1,000 MMCF 1,000.1 - 10,000 MMCF 10,000.1 - 100,000 MMCF > 100,000 MMCF Basin Outline Total Total Total Number Liquid Gas BOE of Reserves Reserves Reserves Fields (Mbbl) (MMcf) (Mbbl) Uinta-Piceance 180 254,329 7,181,669 1,451,274 Basin Uinta-Piceance Basin Oil & Gas Fields By 2001 Gas

  17. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED WASH

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

    Liquids Reserve Class No 2001 liquids reserves 0.1 - 10 Mbbl 10.1 - 100 Mbbl 100.1 - 1,000 Mbbl 1,000.1 - 10,000 Mbbl 10,000.1 - 100,000 Mbbl Basin Outline Total Total Total Number Liquid Gas BOE of Reserves Reserves Reserves Fields (Mbbl) (MMcf) (Mbbl) Uinta-Piceance 180 254,329 7,181,669 1,451,274 Basin Uinta-Piceance Basin Oil & Gas Fields By 2001 Liquids

  18. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

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

    BOE Reserve Class No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1,000 MBOE 1,000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Basin Outline ID The mapped oil and gas field boundary outlines were created by the Reserves and Production Division, Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). The boundaries are not informed by subsurface structural

  19. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

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

    Gas Reserve Class No 2001 gas reserves 0.1 - 10 MMCF 10.1 - 100 MMCF 100.1 - 1,000 MMCF 1,000.1 - 10,000 MMCF 10,000.1 - 100,000 MMCF > 100,000 MMCF Basin Outline ID The mapped oil and gas field boundary outlines were created by the Reserves and Production Division, Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). The boundaries are not informed by subsurface

  20. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

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

    Liquids Reserve Class No 2001 liquids reserves 0.1 - 10 Mbbl 10.1 - 100 Mbbl 100.1 - 1,000 Mbbl 1,000.1 - 10,000 Mbbl 10,000.1 - 100,000 Mbbl Basin Outline ID The mapped oil and gas field boundary outlines were created by the Reserves and Production Division, Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). The boundaries are not informed by subsurface structural

  1. Microsoft Word - Advanced Scholars Program Agenda 2015-FF.docx

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

    & A nalysis o f S hapes ( Lakshman P rasad) Thursday, A pril 1 6 Making N ext G eneration B iofuel S ystems W ork ( Richard S ayre) Proposal W riting a nd L iving i n N...

  2. Neutron Reference Benchmark Field Specification: ACRR Free-Field Environment (ACRR-FF-CC-32-CL).

    SciTech Connect (OSTI)

    Vega, Richard Manuel; Parma, Edward J.; Griffin, Patrick J.; Vehar, David W.

    2015-07-01

    This report was put together to support the International Atomic Energy Agency (IAEA) REAL- 2016 activity to validate the dosimetry community’s ability to use a consistent set of activation data and to derive consistent spectral characterizations. The report captures details of integral measurements taken in the Annular Core Research Reactor (ACRR) central cavity free-field reference neutron benchmark field. The field is described and an “a priori” calculated neutron spectrum is reported, based on MCNP6 calculations, and a subject matter expert (SME) based covariance matrix is given for this “a priori” spectrum. The results of 31 integral dosimetry measurements in the neutron field are reported.

  3. CSChang.ppt

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

    background evolution, ions, electrons, neutral particles, impurity particles: Built-in DEGAS-2 - 3D perturbed magnetic field from XGC0 (XGCa) - Adding in electromagnetic...

  4. Pontotoc Co. Greene Co. Hale Co. OAK GROVE C OAL D EGAS CEDAR...

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

    ... MILITARY GROVE HAMILTONMSD BIG CR EEKALD TAYLOR CREEK COAL DEGAS MAT UBBY CREEK ... Authors: Sam Limerick (1), Lucy Luo (1), Gary Long (2), David Morehouse (2), Jack Perrin ...

  5. Data:Ed3f81ff-1848-460a-9611-fe3dbf7b368e | Open Energy Information

    Open Energy Info (EERE)

    a-9611-fe3dbf7b368e No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic...

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    Open Energy Info (EERE)

    under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic Information 2. Demand 3. Energy << Previous 1 2 3 Next >> Basic Information...

  7. Pedestal Fueling Simulations with a Coupled Kinetic-kinetic Plasma-neutral Transport Code

    SciTech Connect (OSTI)

    D.P. Stotler, C.S. Chang, S.H. Ku, J. Lang and G.Y. Park

    2012-08-29

    A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.

  8. Energy Conservation Tests of a Coupled Kinetic-kinetic Plasma-neutral Transport Code

    SciTech Connect (OSTI)

    Stotler, D. P.; Chang, C. S.; Ku, S. H.; Lang, J.; Park, G.

    2012-08-29

    A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.

  9. Pontotoc Co. Greene Co. Hale Co. OAK GROVE C OAL D EGAS CEDAR...

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

    NETT LETON ABERD EEN E TAYLOR CREEK COAL DEGAS HAMILTON S GIBSON LITT LE H ELLS CREEK WAT ... NEW HOPE AMORY BIN ION CREEK TANYARD C REEK HAMILTONMSD WH ITES SH ANNON E RPDTU ...

  10. Pontotoc Co. Greene Co. Hale Co. OAK GROVE C OAL D EGAS CEDAR...

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

    NETT LET ON ABERD EEN E TAYLOR CREEK COAL DEGAS HAMILTON S GIBSON LITT LE H ELLS CREEK WAT ... NEW HOPE AMORY BIN ION CREEK TANYARD C REEK HAMILTONMSD WH ITES SH ANNON E RPDTU ...

  11. Temporal Geochemical Variations In Volatile Emissions From Mount...

    Open Energy Info (EERE)

    1980. Based on D modeling, approximately 63% of shallow, post-1980 magma has yet to degas. Surprisingly, Cl and F contents in the 1994 samples were only 0.47 and 3.8%,...

  12. Daren P Stotler | Princeton Plasma Physics Lab

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

    of its performance. Dr. Stotler has worked with Dr. Charles Karney to develop the DEGAS 2 neutral gas code to study how the plasma-material interactions and the resulting...

  13. Next generation Programming Models-042114.pptx

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

    Types of Parallelism Memory Data Representation Acceler ator affinity Motivation DEGAS Extensions to Fortran(CAF 2.0), C (Habanero C and UPC) and Python Tasks and Asynch...

  14. CX-009509: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Power Monitoring, Communication and Control Upgrade at Bryan Mound Degas Plant (Install) CX(s) Applied: B1.7 Date: 10/31/2012 Location(s): Texas Offices(s): Strategic Petroleum Reserve Field Office

  15. Research Highlight

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

    The Apparent Bluing of Aerosols Near Clouds Download a printable PDF Submitter: Marshak, A., NASA - Goddard Space Flight Center Area of Research: Radiation Processes Working Group(s): Radiative Processes Journal Reference: Marshak, A, G Wen, JA Coakley, LA Remer, NG Loeb, and RF Cahalan. 2008. "A simple model of the cloud adjacency effect and the apparent bluing of aerosols near clouds." Journal of Geophysical Research 113, D14S17, doi: 10.1029/2007JD009196. (upper panel) A schematic

  16. Microsoft Word - Final Agenda for NEAC Meeting 6-12-12

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

    Used Fuel Disposition R&D Monica Regalbuto 10:15 a.m. SMR Program Update Rebecca Smith-Kev... Chair 12:00 noon Lunch (NEAC members and Degas Room- 1 st Floor Presenters only) 1:00 p.m. ...

  17. September 2004 Water Sampling

    Office of Legacy Management (LM)

    October 2013 Groundwater Sampling at the Bluewater, New Mexico, Disposal Site December 2013 LMS/BLU/S00813 This page intentionally left blank U.S. Department of Energy DVP-August and October 2013, Bluewater, New Mexico December 2013 RIN 13085537 and 13095651 Page i Contents Sampling Event Summary ...............................................................................................................1 Private Wells Sampled August 2013 and October 2013, Bluewater, NM, Disposal Site

  18. September 2004 Water Sampling

    Office of Legacy Management (LM)

    Groundwater Sampling at the Bluewater, New Mexico, Disposal Site February 2015 LMS/BLU/S01114 This page intentionally left blank U.S. Department of Energy DVP-November 2014, Bluewater, New Mexico February 2015 RIN 14116606 Page i Contents Sampling Event Summary ...............................................................................................................1 Bluewater, New Mexico, Disposal Site, Sample Location Map......................................................5 Data

  19. NREL: Measurements and Characterization - Current Versus Voltage

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

    of devices, including: open-circuit voltage (Voc), short-circuit current (Isc), fill factor (FF), maximum power output of the device (Pmax), voltage at maximum power...

  20. Uranium Geochemistry in Vadose Zone and Aquifer Sediments from the 300 Area Uranium Plume

    SciTech Connect (OSTI)

    Zachara, John M.; Davis, Jim A.; Liu, Chongxuan; McKinley, James P.; Qafoku, Nik; Wellman, Dawn M.; Yabusaki, Steven B.

    2005-07-21

    This report documents research conducted by the RCS Project to update the record of decision for the 300-FF-5 Operable Unit on the Hanford Site.

  1. Superfluid density and Berezinskii-Kosterlitz-Thouless transition of a spin-orbit-coupled Fulde-Ferrell superfluid

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

    Cao, Ye; Liu, Xia -Ji; He, Lianyi; Long, Gui -Lu; Hu, Hui

    2015-02-09

    We theoretically investigate the superfluid density and Berezinskii-Kosterlitz-Thouless (BKT) transition of a two-dimensional Rashba spin-orbit-coupled atomic Fermi gas with both in-plane and out-of-plane Zeeman fields. It was recently predicted that, by tuning the two Zeeman fields, the system may exhibit different exotic Fulde-Ferrell (FF) superfluid phases, including the gapped FF, gapless FF, gapless topological FF, and gapped topological FF states. Due to the FF paring, we show that the superfluid density (tensor) of the system becomes anisotropic. When an in-plane Zeeman field is applied along the x direction, the tensor component along the y direction ns,yy is generally larger thanmore » ns,xx in most parameter space. At zero temperature, there is always a discontinuity jump in ns,xx as the system evolves from a gapped FF into a gapless FF state. With increasing temperature, such a jump is gradually washed out. The critical BKT temperature has been calculated as functions of the spin-orbit-coupling strength, interatomic interaction strength, and in-plane and out-of-plane Zeeman fields. We predict that the novel FF superfluid phases have a significant critical BKT temperature, typically at the order of 0.1TF, where TF is the Fermi degenerate temperature. Furthermore, their observation is within the reach of current experimental techniques in cold-atom laboratories.« less

  2. PEVELOPMENT OF FLUORESCENCE LIFETIME DIAGNOSTIC

    Office of Scientific and Technical Information (OSTI)

    Optiphase Inc. has developed inexpensive technology for extremely precise measurement of ... the expertise and resources associated with ff uorescence chemistry and instrumentation. ...

  3. United States Government

    Office of Legacy Management (LM)

    Corp., Nitro, WV General Electric Plant, Shelbyvi Gleason Works, Rochester, NV ... Alexander W illiams , PhD Designation ad Certificatiorr Uanrger O ff-SiteSavannah River ...

  4. Phase II Contaminant Transport Parameters for the Groundwater Flow and Contaminant Transport Model of Corrective Action Unit 98: Frenchman Flat, Nye County, Nevada, Rev. No.: 0

    SciTech Connect (OSTI)

    DeNovio, Nicole M.; Bryant, Nathan; King, Chrissi B.; Bhark, Eric; Drellack, Sigmund L.; Pickens, John F.; Farnham, Irene; Brooks, Keely M.; Reimus, Paul; Aly, Alaa

    2005-04-01

    This report documents pertinent transport data and data analyses as part of the Phase II Corrective Action Investigation (CAI) for Frenchman Flat (FF) Corrective Action Unit (CAU) 98. The purpose of this data compilation and related analyses is to provide the primary reference to support parameterization of the Phase II FF CAU transport model.

  5. Phase II Hydrologic Data for the Groundwater Flow and Contaminant Transport Model of Corrective Action Unit 98: Frenchman Flat, Nye County, Nevada, Rev. No.: 0

    SciTech Connect (OSTI)

    John McCord

    2004-12-01

    This report documents pertinent hydrologic data and data analyses as part of the Phase II Corrective Action Investigation (CAI) for Frenchman Flat (FF) Corrective Action Unit (CAU): CAU 98. The purpose of this data compilation and related analyses is to provide the primary reference to support the development of the Phase II FF CAU groundwater flow model.

  6. Property:OpenEI/UtilityRate/EnergyRateStructure/Tier1Adjustment...

    Open Energy Info (EERE)

    property of type Number. Subproperties This property has the following 34 subproperties: 9 Data:93eeba74-c3bd-499c-89ff-7b8f32af7e3d Data:93eeba74-c3bd-499c-89ff-7b8f32af7e3d...

  7. Simulation of Diffusive Lithium Evaporation Onto the NSTX Vessel Walls

    SciTech Connect (OSTI)

    Stotler, D. P.; Skinner, C. H.; Blanchard, W. R.; Krstic, P. S.; Kugel, H. W.; Schneider, H.; Zakharov, L. E.

    2010-12-09

    A model for simulating the diffusive evaporation of lithium into a helium filled NSTX vacuum vessel is described and validated against an initial set of deposition experiments. The DEGAS 2 based model consists of a three-dimensional representation of the vacuum vessel, the elastic scattering process, and a kinetic description of the evaporated atoms. Additional assumptions are required to account for deuterium out-gassing during the validation experiments. The model agrees with the data over a range of pressures to within the estimated uncertainties. Suggestions are made for more discriminating experiments that will lead to an improved model.

  8. Feasibility report on alternative methods for cooling cavern oils at the U.S. Strategic Petroleum Reserve.

    SciTech Connect (OSTI)

    Levin, Bruce L.; Lord, David L.; Hadgu, Teklu

    2005-06-01

    Oil caverns at the U.S. Strategic Petroleum Reserve (SPR) are subjected to geothermal heating from the surrounding domal salt. This process raises the temperature of the crude oil from around 75 F upon delivery to SPR to as high as 130 F after decades of storage. While this temperature regime is adequate for long-term storage, it poses challenges for offsite delivery, with warm oil evolving gases that pose handling and safety problems. SPR installed high-capacity oil coolers in the mid-1990's to mitigate the emissions problem by lowering the oil delivery temperature. These heat exchanger units use incoming raw water as the cooling fluid, and operate only during a drawdown event where incoming water displaces the outgoing oil. The design criteria for the heat exchangers are to deliver oil at 100 F or less under all drawdown conditions. Increasing crude oil vapor pressures due in part to methane intrusion in the caverns is threatening to produce sufficient emissions at or near 100 F to cause the cooled oil to violate delivery requirements. This impending problem has initiated discussion and analysis of alternative cooling methods to bring the oil temperature even lower than the original design basis of 100 F. For the study described in this report, two alternative cooling methods were explored: (1) cooling during a limited drawdown, and (2) cooling during a degas operation. Both methods employ the heat exchangers currently in place, and do not require extra equipment. An analysis was run using two heat transfer models, HEATEX, and CaveMan, both developed at Sandia National Laboratories. For cooling during a limited drawdown, the cooling water flowrate through the coolers was varied from 1:1 water:oil to about 3:1, with an increased cooling capacity of about 3-7 F for the test cavern Bryan Mound 108 depending upon seasonal temperature effects. For cooling in conjunction with a degas operation in the winter, cavern oil temperatures for the test cavern Big Hill 102 were cooled sufficiently that the cavern required about 9 years to return to the temperature prior to degas. Upon reviewing these results, the authors recommended to the U.S. Department of Energy that a broader study of the cooling during degas be pursued in order to examine the potential benefits of cooling on all caverns in the current degasification schedule.

  9. Security Informatics Research Challenges for Mitigating Cyber Friendly Fire

    SciTech Connect (OSTI)

    Carroll, Thomas E.; Greitzer, Frank L.; Roberts, Adam D.

    2014-09-30

    This paper addresses cognitive implications and research needs surrounding the problem of cyber friendly re (FF). We dene cyber FF as intentional o*ensive or defensive cyber/electronic actions intended to protect cyber systems against enemy forces or to attack enemy cyber systems, which unintentionally harms the mission e*ectiveness of friendly or neutral forces. We describe examples of cyber FF and discuss how it ts within a general conceptual framework for cyber security failures. Because it involves human failure, cyber FF may be considered to belong to a sub-class of cyber security failures characterized as unintentional insider threats. Cyber FF is closely related to combat friendly re in that maintaining situation awareness (SA) is paramount to avoiding unintended consequences. Cyber SA concerns knowledge of a system's topology (connectedness and relationships of the nodes in a system), and critical knowledge elements such as the characteristics and vulnerabilities of the components that comprise the system and its nodes, the nature of the activities or work performed, and the available defensive and o*ensive countermeasures that may be applied to thwart network attacks. We describe a test bed designed to support empirical research on factors a*ecting cyber FF. Finally, we discuss mitigation strategies to combat cyber FF, including both training concepts and suggestions for decision aids and visualization approaches.

  10. Unorthodox theoretical methods

    SciTech Connect (OSTI)

    Nedd, Sean

    2012-06-20

    The use of the ReaxFF force field to correlate with NMR mobilities of amine catalytic substituents on a mesoporous silica nanosphere surface is considered. The interfacing of the ReaxFF force field within the Surface Integrated Molecular Orbital/Molecular Mechanics (SIMOMM) method, in order to replicate earlier SIMOMM published data and to compare with the ReaxFF data, is discussed. The development of a new correlation consistent Composite Approach (ccCA) is presented, which incorporates the completely renormalized coupled cluster method with singles, doubles and non-iterative triples corrections towards the determination of heats of formations and reaction pathways which contain biradical species.

  11. Document: NA Actionee: Dorothy Riehie Document Date: 03/09/2011...

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

    Title: Re: Prime Contract DE-AC06-08RL14788 Drilling Project Contract 41293-l:ARRA ... Re: Prime Contract DE-AC06-08RIL14788 Drilling Project Contract 41293-1:ARRA 300-FF-5 ...

  12. Microsoft PowerPoint - 15_Liu_ARM_STM_indirect.ppt [Compatibility...

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

    i di t ff t ld l d Aerosol indirect effect on cold clouds Xiaohong Liu (Pacific Northwest National Laboratory) Paul DeMott (Colorado State University) Some evidence for alteration...

  13. The Honorable Richard M

    Office of Legacy Management (LM)

    Al,exand,er W illiams (301-427-1719) of my staff. I' Sincerely, - '8 , James W . Wagoner II -Director " "'. '. . O ff-SiteSavannah River Program Division . O ffice of ...

  14. Los Alamos National Laboratory again top contributor to United...

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

    Top contributor to United Way ff Santa Fe County Los Alamos National Laboratory again top contributor to United Way of Santa Fe County Laboratory employees and Los Alamos National...

  15. Social Media Records and You

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

    ... W k ith IT St ff t l Flickr LinkedIn Upload and share videos. Share photos and create ... Questions? Need Help? LinkedIn Blogs Post information and receive comments Join ...

  16. Microsoft Word - 3m NIM paperv3a.doc

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

    poly-vinylidenefluoride with trifluoroethylene. PACS: 87.61.Ff, 87.64.Lg, 63.20.Kr Key words: high resolution photoemission, phonon-electron interactions, Franck-Condon...

  17. Präsentation Bernhard Gatzka PV*SOL Expert

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

    ... Efficiency Dependency on Radiation * Needed data: G low rad , U OC , U MPP , I MPP , I SC * This defines: Fill factor at G low rad * Approach for fill factor dependency: FF(G) G ...

  18. Y.

    Office of Legacy Management (LM)

    ' .;-;< 14 ,I> ,,.. &.<,y---.--- * 1 .? 1 c ,-J ..1, j ' ii ,; :I : j' - * - v- e . . *' ' -y " Y. ;: -.-, yl-j ' " : -2 F*;f yTJ IEYii, , .- -.,ir:.l -. ( z;y;,y:' ...

  19. AMENDMENT OF SOLICITATION/MODIFICATION OF CONTRACT

    National Nuclear Security Administration (NNSA)

    , 1. CONTRACT ID CODE I PAGE OF PAGES 1 I 2 2. AMENDMENTMODIFICATION NO. 3. EFFECTIVE DATE 4 . REQUISITIONPURCHASE REQ. NO. 15 PROJECT NO. (ff applicable) 0250 See Block 16C 6. ...

  20. TwentyNinety | Open Energy Information

    Open Energy Info (EERE)

    TwentyNinety Jump to: navigation, search Name: TwentyNinety Place: Farnham, England, United Kingdom Zip: GU9 1FF Product: UK-based manufacturer of wireless junction box PV system....

  1. BPA-2011-01595-FOIA Response

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

    ENl oFF,l g 1ES OF P Department of Energy Bonneville Power Administration P.O. Box 3621 Portland, Oregon 97208-3621 PUBLIC AFFAIRS August 2, 20 In reply refer to: DK-7 David...

  2. Los Alamos National Laboratory ships last of high-activity drums...

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

    ships last ff high-activity drums to WIPP Los Alamos National Laboratory ships last of high-activity drums to WIPP The November shipment was the final delivery this year to the...

  3. Cyber Friendly Fire: Research Challenges for Security Informatics

    SciTech Connect (OSTI)

    Greitzer, Frank L.; Carroll, Thomas E.; Roberts, Adam D.

    2013-06-06

    This paper addresses cognitive implications and research needs surrounding the problem of cyber friendly fire (FF). We define cyber FF as intentional offensive or defensive cyber/electronic actions intended to protect cyber systems against enemy forces or to attack enemy cyber systems, which unintention-ally harms the mission effectiveness of friendly or neutral forces. Just as with combat friendly fire, maintaining situation awareness (SA) is paramount to avoiding cyber FF incidents. Cyber SA concerns knowledge of a systems topology (connectedness and relationships of the nodes in a system), and critical knowledge elements such as the characteristics and vulnerabilities of the components that comprise the system and its nodes, the nature of the activities or work performed, and the available defensive and offensive countermeasures that may be applied to thwart network attacks. Mitigation strategies to combat cyber FF including both training concepts and suggestions for decision aids and visualization approachesare discussed.

  4. Fuel Cell Technologies Program Overview

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

    Fuel Cell Technologies Program Overview Program Overview Richard Farmer Richard Farmer ... 2 t t F l ll ff hi hl ffi i di f l d Fuel Cells Address Our Key Energy Challenges ...

  5. file://L:\DOE-hanford.gov\public\boards\hab\advice\advice42.htm

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

    6 Dear : Messrs. Clarke and Wagoner, and Ms. Riveland: The Hanford Advisory Board (HAB) adopted the following advice regarding the Proposed Plans for the Interim Action on the 300-FF-5 Operable Units. The HAB finds the proposed plans for the interim action on the 300-FF-5 Operable Units acceptable and consistent with previous recommendations. Very truly yours, Merilyn B. Reeves, Chair Hanford Advisory Board For questions or comments, please send email to Hanford_Advisory_Board@rl.gov HAB

  6. Analysis of Neutral Transport in the GAMMA10 Anchor-Cell Using H{alpha}-Emission Detectors

    SciTech Connect (OSTI)

    Higashizono, Y. [Plasma Research Center, University of Tsukuba (Japan); Nakashima, Y. [Plasma Research Center, University of Tsukuba (Japan); Ohki, T. [Plasma Research Center, University of Tsukuba (Japan); Islam, M.K. [Plasma Research Center, University of Tsukuba (Japan); Shoji, M. [National Institute for Fusion Science (Japan); Kobayashi, S. [Institute of Advanced Energy, Kyoto University (Japan); Yoshikawa, M. [Plasma Research Center, University of Tsukuba (Japan); Kubota, Y. [Plasma Research Center, University of Tsukuba (Japan); Kobayashi, T. [Plasma Research Center, University of Tsukuba (Japan); Murakami, R. [Plasma Research Center, University of Tsukuba (Japan); Yamada, M. [Plasma Research Center, University of Tsukuba (Japan); Cho, T. [Plasma Research Center, University of Tsukuba (Japan)

    2005-01-15

    The neutral transport was studied in the anchor cell. The H{alpha} line intensities were measured by using axially aligned H{alpha} detectors. It was found that the intensity is considerably dependent on ECRH and GP 3,4. A 5ch H{alpha} detector was newly installed in the outer-transition region of the anchor-cell. From the measurement of the spatial distributions, the vertical intensity profile is estimated to be about 2.5 cm on the half width half maximum, while the horizontal distribution shows roughly flat around Z=-670 cm. The above characteristics were discussed with aid of neutral transport simulation using DEGAS Monte-Carlo Code.

  7. Siphons for Geosiphon{trademark} Treatment Systems

    SciTech Connect (OSTI)

    Phifer, M.A.

    2001-07-26

    GeoSiphon{trademark} systems (patent pending) induce contaminated groundwater flow through permeable treatment media by utilizing a siphon between two points of hydraulic head difference. A siphon is a closed conduit that conveys liquid from a point of higher hydraulic head to one of lower head after raising it to a higher intermediate elevation, at sub-atmospheric conditions (negative gauge pressures or vacuum), without external power input. All surface waters and groundwaters contain dissolved gases, which degas within a siphon due to the vacuum and temperature within the siphon. Bubbles form, and if not properly managed will accumulate in the siphon, gradually reducing the flow rate until the system is ultimately shut down. Therefore appropriate management of gas within a siphon is the primary factor that must be considered to maintain continuous siphon flow. This report provides an overview of GeoSiphon technology and generic details concerning de-gassing in siphons and associated gas management methods.

  8. THE RADIAL VELOCITY EXPERIMENT (RAVE): FOURTH DATA RELEASE

    SciTech Connect (OSTI)

    Kordopatis, G.; Gilmore, G.; Steinmetz, M.; Williams, M. E. K.; Piffl, T.; Enke, H.; Carrillo, I.; Boeche, C.; Roeser, S.; Seabroke, G. M.; Siebert, A.; Zwitter, T.; Binney, J.; De Laverny, P.; Recio-Blanco, A.; Bijaoui, A.; Wyse, R. F. G.; Freeman, K.; Munari, U.; Anguiano, B.; and others

    2013-11-01

    We present the stellar atmospheric parameters (effective temperature, surface gravity, overall metallicity), radial velocities, individual abundances, and distances determined for 425,561 stars, which constitute the fourth public data release of the RAdial Velocity Experiment (RAVE). The stellar atmospheric parameters are computed using a new pipeline, based on the algorithms of MATISSE and DEGAS. The spectral degeneracies and the Two Micron All Sky Survey photometric information are now better taken into consideration, improving the parameter determination compared to the previous RAVE data releases. The individual abundances for six elements (magnesium, aluminum, silicon, titanium, iron, and nickel) are also given, based on a special-purpose pipeline that is also improved compared to that available for the RAVE DR3 and Chemical DR1 data releases. Together with photometric information and proper motions, these data can be retrieved from the RAVE collaboration Web site and the Vizier database.

  9. FACT SHEET U.S. Department of Energy ARM Mobile Facility

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

    t a * r - m * - HarmI cf r * f f - -* f * * - s - g pf -*L n sf af * L - t f w * - p L f * arm a f f f L - - - * * - * f - * - f f* i- -L arm m f f f * HamfI f -* - f * - - * - * f * - R - *L - - - - - L f f * * t * f f L amf L * * f - RPP * - f L amfRL * * f * * f - - o RP P c -* * - * f f * f *L * f - * -* - *L - -*L - * * *L amf * * f -* a- - * f f * * f * - -* - * amf - f * - f f - - fM b * * f - f L amf * - f f - - ff * - - f s - - - * * f f ff f -- - *L - * * * f f f f -M* f * ff - * - * *

  10. Quasi-phase-matching of the dual-band nonlinear left-handed metamaterial

    SciTech Connect (OSTI)

    Liu, Yahong Song, Kun; Gu, Shuai; Liu, Zhaojun; Guo, Lei; Zhao, Xiaopeng; Zhou, Xin

    2014-11-17

    We demonstrate a type of nonlinear meta-atom creating a dual-band nonlinear left-handed metamaterial (DNLHM). The DNLHM operates at two distinct left-handed frequency bands where there is an interval of one octave between the two center frequencies. Under the illumination of a high-power signal at the first left-handed frequency band corresponding to fundamental frequency (FF), second-harmonic generation (SHG) is observed at the second left-handed band. This means that our DNLHM supports backward-propagating waves both at FF and second-harmonic (SH) frequency. We also experimentally demonstrate quasi-phase-matching configurations for the backward SHG. This fancy parametric process can significantly transmits the SH generated by an incident FF wave.

  11. Atomic-scale electronic structure of the cuprate d-symmetry form factor density wave state

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

    M. H. Hamidian; Kim, Chung Koo; Edkins, S. D.; Davis, J. C.; Mackenzie, A. P.; Eisaki, H.; Uchida, S.; Lawler, M. J.; Kim, E. -A.; Sachdev, S.; et al

    2015-10-26

    Research on high-temperature superconducting cuprates is at present focused on identifying the relationship between the classic ‘pseudogap’ phenomenon1, 2 and the more recently investigated density wave state3–13. This state is generally characterized by a wavevector Q parallel to the planar Cu–O–Cu bonds 4–13 along with a predominantly d-symmetry form factor 14–17 (dFF-DW). To identify the microscopic mechanism giving rise to this state 18–30, one must identify the momentum-space states contributing to the dFF-DW spectral weight, determine their particle–hole phase relationship about the Fermi energy, establish whether they exhibit a characteristic energy gap, and understand the evolution of all these phenomenamore » throughout the phase diagram. Here we use energy-resolved sublattice visualization14 of electronic structure and reveal that the characteristic energy of the dFF-DW modulations is actually the ‘pseudogap’ energy Δ1. Moreover, we demonstrate that the dFF-DW modulations at E = –Δ1 (filled states) occur with relative phase π compared to those at E = Δ1 (empty states). Lastly, we show that the conventionally defined dFF-DW Q corresponds to scattering between the ‘hot frontier’ regions of momentum-space beyond which Bogoliubov quasiparticles cease to exist30–32. These data indicate that the cuprate dFF-DW state involves particle–hole interactions focused at the pseudogap energy scale and between the four pairs of ‘hot frontier’ regions in momentum space where the pseudogap opens.« less

  12. A multiresolution spatial parametrization for the estimation of fossil-fuel carbon dioxide emissions via atmospheric inversions.

    SciTech Connect (OSTI)

    Ray, Jaideep; Lee, Jina; Lefantzi, Sophia; Yadav, Vineet; Michalak, Anna M.; van Bloemen Waanders, Bart Gustaaf; McKenna, Sean Andrew

    2013-04-01

    The estimation of fossil-fuel CO2 emissions (ffCO2) from limited ground-based and satellite measurements of CO2 concentrations will form a key component of the monitoring of treaties aimed at the abatement of greenhouse gas emissions. To that end, we construct a multiresolution spatial parametrization for fossil-fuel CO2 emissions (ffCO2), to be used in atmospheric inversions. Such a parametrization does not currently exist. The parametrization uses wavelets to accurately capture the multiscale, nonstationary nature of ffCO2 emissions and employs proxies of human habitation, e.g., images of lights at night and maps of built-up areas to reduce the dimensionality of the multiresolution parametrization. The parametrization is used in a synthetic data inversion to test its suitability for use in atmospheric inverse problem. This linear inverse problem is predicated on observations of ffCO2 concentrations collected at measurement towers. We adapt a convex optimization technique, commonly used in the reconstruction of compressively sensed images, to perform sparse reconstruction of the time-variant ffCO2 emission field. We also borrow concepts from compressive sensing to impose boundary conditions i.e., to limit ffCO2 emissions within an irregularly shaped region (the United States, in our case). We find that the optimization algorithm performs a data-driven sparsification of the spatial parametrization and retains only of those wavelets whose weights could be estimated from the observations. Further, our method for the imposition of boundary conditions leads to a 10computational saving over conventional means of doing so. We conclude with a discussion of the accuracy of the estimated emissions and the suitability of the spatial parametrization for use in inverse problems with a significant degree of regularization.

  13. 303-K Storage Facility closure plan. Revision 2

    SciTech Connect (OSTI)

    Not Available

    1993-12-15

    Recyclable scrap uranium with zircaloy-2 and copper silicon alloy, uranium-titanium alloy, beryllium/zircaloy-2 alloy, and zircaloy-2 chips and fines were secured in concrete billets (7.5-gallon containers) in the 303-K Storage Facility, located in the 300 Area. The beryllium/zircaloy-2 alloy and zircaloy-2 chips and fines are designated as mixed waste with the characteristic of ignitability. The concretion process reduced the ignitability of the fines and chips for safe storage and shipment. This process has been discontinued and the 303-K Storage Facility is now undergoing closure as defined in the Resource Conservation and Recovery Act (RCRA) of 1976 and the Washington Administrative Code (WAC) Dangerous Waste Regulations, WAC 173-303-040. This closure plan presents a description of the 303-K Storage Facility, the history of materials and waste managed, and the procedures that will be followed to close the 303-K Storage Facility. The 303-K Storage Facility is located within the 300-FF-3 (source) and 300-FF-5 (groundwater) operable units, as designated in the Hanford Federal Facility Agreement and Consent Order (Tri-Party Agreement) (Ecology et al. 1992). Contamination in the operable units 300-FF-3 and 300-FF-5 is scheduled to be addressed through the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) of 1980 remedial action process. Therefore, all soil remedial action at the 304 Facility will be conducted as part of the CERCLA remedial action of operable units 300-FF-3 and 300-FF-5.

  14. AMENDMENT OF SOLICITATION/MODIFICATION OF CONTRACT

    National Nuclear Security Administration (NNSA)

    , 1. CONTRACT ID CODE I PAGE OF PAGES 1 I 2 2. AMENDMENT/MODIFICATION NO. 3. EFFECTIVE DATE 4 . REQUISITION/PURCHASE REQ. NO. 15 PROJECT NO. (ff applicable) 0250 See Block 16C 6. ISSUED BY CODE 05003 7. ADMINISTERED BY (ff other than Item 6) coDE jo5003 NNSA/Los Alamos Site Off ice NNSA/Los Alamos Site Office U.S. Department of Energy U.S. Department of Energy NNSA/Los Alamos Site Office Los Alamos Site Off ice 3747 West Jemez Road 3747 West Jemez Road Los Alamos NM 87544 Los Alamos NM 87544 8.

  15. XL-A A.&lx A!i' X!Ii?Z IL';;i'

    Office of Legacy Management (LM)

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  16. MicroBooNE TPC Wires Image Map

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

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  17. BPA-2014-00440-FOIA Response

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

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  18. Self-assembled peptide nanotubes as electronic materials: An evaluation from first-principles calculations

    SciTech Connect (OSTI)

    Akdim, Brahim E-mail: ruth.pachter@us.af.mil; Pachter, Ruth E-mail: ruth.pachter@us.af.mil; Naik, Rajesh R.

    2015-05-04

    In this letter, we report on the evaluation of diphenylalanine (FF), dityrosine (YY), and phenylalanine-tryptophan (FW) self-assembled peptide nanotube structures for electronics and photonics applications. Realistic bulk peptide nanotube material models were used in density functional theory calculations to mimic the well-ordered tubular nanostructures. Importantly, validated functionals were applied, specifically by using a London dispersion correction to model intertube interactions and a range-separated hybrid functional for accurate bandgap calculations. Bandgaps were found consistent with available experimental data for FF, and also corroborate the higher conductance reported for FW in comparison to FF peptide nanotubes. Interestingly, the predicted bandgap for the YY tubular nanostructure was found to be slightly higher than that of FW, suggesting higher conductance as well. In addition, the band structure calculations along the high symmetry line of nanotube axis revealed a direct bandgap for FF. The results enhance our understanding of the electronic properties of these material systems and will pave the way into their application in devices.

  19. Reservations | Argonne Leadership Computing Facility

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

    smith R.smith smith Mon Aug 18 09:00:00 2013 -0500 (CDT) 24:00 Allowed MIR-00000-73FF1-16384 > qsub -q R.smith -t 60 -n 1024 myprog.exe Once the reservation is...

  20. Stellar age spreads in clusters as imprints of cluster-parent clump densities

    SciTech Connect (OSTI)

    Parmentier, G.; Grebel, E. K.; Pfalzner, S.

    2014-08-20

    It has recently been suggested that high-density star clusters have stellar age distributions much narrower than that of the Orion Nebula Cluster, indicating a possible trend of narrower age distributions for denser clusters. We show this effect to likely arise from star formation being faster in gas with a higher density. We model the star formation history of molecular clumps in equilibrium by associating a star formation efficiency per free-fall time, ?{sub ff}, to their volume density profile. We focus on the case of isothermal spheres and we obtain the evolution with time of their star formation rate. Our model predicts a steady decline of the star formation rate, which we quantify with its half-life time, namely, the time needed for the star formation rate to drop to half its initial value. Given the uncertainties affecting the star formation efficiency per free-fall time, we consider two distinct values: ?{sub ff} = 0.1 and ?{sub ff} = 0.01. When ?{sub ff} = 0.1, the half-life time is of the order of the clump free-fall time, ?{sub ff}. As a result, the age distributions of stars formed in high-density clumps have smaller full-widths at half-maximum than those of stars formed in low-density clumps. When the star formation efficiency per free-fall time is 0.01, the half-life time is 10 times longer, i.e., 10 clump free-fall times. We explore what happens if the duration of star formation is shorter than 10?{sub ff}, that is, if the half-life time of the star formation rate cannot be defined. There, we build on the invariance of the shape of the young cluster mass function to show that an anti-correlation between the clump density and the duration of star formation is expected. We therefore conclude that, regardless of whether the duration of star formation is longer than the star formation rate half-life time, denser molecular clumps yield narrower star age distributions in clusters. Published densities and stellar age spreads of young clusters and star-forming regions actually suggest that the timescale for star formation is of order 1-4?{sub ff}. We also discuss how the age bin size and uncertainties in stellar ages affect our results. We conclude that there is no need to invoke the existence of multiple cluster formation mechanisms to explain the observed range of stellar age spreads in clusters.

  1. Optimization of leaf margins for lung stereotactic body radiotherapy using a flattening filter-free beam

    SciTech Connect (OSTI)

    Wakai, Nobuhide; Sumida, Iori; Otani, Yuki; Suzuki, Osamu; Seo, Yuji; Isohashi, Fumiaki; Yoshioka, Yasuo; Ogawa, Kazuhiko; Hasegawa, Masatoshi

    2015-05-15

    Purpose: The authors sought to determine the optimal collimator leaf margins which minimize normal tissue dose while achieving high conformity and to evaluate differences between the use of a flattening filter-free (FFF) beam and a flattening-filtered (FF) beam. Methods: Sixteen lung cancer patients scheduled for stereotactic body radiotherapy underwent treatment planning for a 7 MV FFF and a 6 MV FF beams to the planning target volume (PTV) with a range of leaf margins (?3 to 3 mm). Forty grays per four fractions were prescribed as a PTV D95. For PTV, the heterogeneity index (HI), conformity index, modified gradient index (GI), defined as the 50% isodose volume divided by target volume, maximum dose (Dmax), and mean dose (Dmean) were calculated. Mean lung dose (MLD), V20 Gy, and V5 Gy for the lung (defined as the volumes of lung receiving at least 20 and 5 Gy), mean heart dose, and Dmax to the spinal cord were measured as doses to organs at risk (OARs). Paired t-tests were used for statistical analysis. Results: HI was inversely related to changes in leaf margin. Conformity index and modified GI initially decreased as leaf margin width increased. After reaching a minimum, the two values then increased as leaf margin increased (V shape). The optimal leaf margins for conformity index and modified GI were ?1.1 0.3 mm (mean 1 SD) and ?0.2 0.9 mm, respectively, for 7 MV FFF compared to ?1.0 0.4 and ?0.3 0.9 mm, respectively, for 6 MV FF. Dmax and Dmean for 7 MV FFF were higher than those for 6 MV FF by 3.6% and 1.7%, respectively. There was a positive correlation between the ratios of HI, Dmax, and Dmean for 7 MV FFF to those for 6 MV FF and PTV size (R = 0.767, 0.809, and 0.643, respectively). The differences in MLD, V20 Gy, and V5 Gy for lung between FFF and FF beams were negligible. The optimal leaf margins for MLD, V20 Gy, and V5 Gy for lung were ?0.9 0.6, ?1.1 0.8, and ?2.1 1.2 mm, respectively, for 7 MV FFF compared to ?0.9 0.6, ?1.1 0.8, and ?2.2 1.3 mm, respectively, for 6 MV FF. With the heart inside the radiation field, the mean heart dose showed a V-shaped relationship with leaf margins. The optimal leaf margins were ?1.0 0.6 mm for both beams. Dmax to the spinal cord showed no clear trend for changes in leaf margin. Conclusions: The differences in doses to OARs between FFF and FF beams were negligible. Conformity index, modified GI, MLD, lung V20 Gy, lung V5 Gy, and mean heart dose showed a V-shaped relationship with leaf margins. There were no significant differences in optimal leaf margins to minimize these parameters between both FFF and FF beams. The authors results suggest that a leaf margin of ?1 mm achieves high conformity and minimizes doses to OARs for both FFF and FF beams.

  2. Kalman-filtered compressive sensing for high resolution estimation of anthropogenic greenhouse gas emissions from sparse measurements.

    SciTech Connect (OSTI)

    Ray, Jaideep; Lee, Jina; Lefantzi, Sophia; Yadav, Vineet; Michalak, Anna M.; van Bloemen Waanders, Bart Gustaaf; McKenna, Sean Andrew

    2013-09-01

    The estimation of fossil-fuel CO2 emissions (ffCO2) from limited ground-based and satellite measurements of CO2 concentrations will form a key component of the monitoring of treaties aimed at the abatement of greenhouse gas emissions. The limited nature of the measured data leads to a severely-underdetermined estimation problem. If the estimation is performed at fine spatial resolutions, it can also be computationally expensive. In order to enable such estimations, advances are needed in the spatial representation of ffCO2 emissions, scalable inversion algorithms and the identification of observables to measure. To that end, we investigate parsimonious spatial parameterizations of ffCO2 emissions which can be used in atmospheric inversions. We devise and test three random field models, based on wavelets, Gaussian kernels and covariance structures derived from easily-observed proxies of human activity. In doing so, we constructed a novel inversion algorithm, based on compressive sensing and sparse reconstruction, to perform the estimation. We also address scalable ensemble Kalman filters as an inversion mechanism and quantify the impact of Gaussian assumptions inherent in them. We find that the assumption does not impact the estimates of mean ffCO2 source strengths appreciably, but a comparison with Markov chain Monte Carlo estimates show significant differences in the variance of the source strengths. Finally, we study if the very different spatial natures of biogenic and ffCO2 emissions can be used to estimate them, in a disaggregated fashion, solely from CO2 concentration measurements, without extra information from products of incomplete combustion e.g., CO. We find that this is possible during the winter months, though the errors can be as large as 50%.

  3. Quantifying sources, transport, deposition and radiative forcing of black carbon over the Himalayas and Tibetan Plateau

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

    Zhang, R.; Wang, H.; Qian, Y.; Rasch, P. J.; Easter, R. C.; Ma, P. -L.; Singh, B.; Huang, J.; Fu, Q.

    2015-01-07

    Black carbon (BC) particles over the Himalayas and Tibetan Plateau (HTP), both airborne and those deposited on snow, have been shown to affect snowmelt and glacier retreat. Since BC over the HTP may originate from a variety of geographical regions and emission sectors, it is essential to quantify the source–receptor relationships of BC in order to understand the contributions of natural and anthropogenic emissions and provide guidance for potential mitigation actions. In this study, we use the Community Atmosphere Model version 5 (CAM5) with a newly developed source tagging technique, nudged towards the MERRA meteorological reanalysis, to characterize the fatemore » of BC particles emitted from various geographical regions and sectors. Evaluated against observations over the HTP and surrounding regions, the model simulation shows a good agreement in the seasonal variation of the near-surface airborne BC concentrations, providing confidence to use this modeling framework for characterizing BC source–receptor relationships. Our analysis shows that the relative contributions from different geographical regions and source sectors depend on seasons and the locations in the HTP. The largest contribution to annual mean BC burden and surface deposition in the entire HTP region is from biofuel and biomass (BB) emissions in South Asia, followed by fossil fuel (FF) emissions from South Asia, then FF from East Asia. The same roles hold for all the seasonal means except for the summer when East Asia FF becomes more important. For finer receptor regions of interest, South Asia BB and FF have the largest impact on BC in Himalayas and Central Tibetan Plateau, while East Asia FF and BB contribute the most to Northeast Plateau in all seasons and Southeast Plateau in the summer. Central Asia and Middle East FF emissions have relatively more important contributions to BC reaching Northwest Plateau, especially in the summer. Although local emissions only contribute about 10% to BC in the HTP, this contribution is extremely sensitive to local emission changes. Lastly, we show that the annual mean radiative forcing (0.42 W m-2) due to BC in snow outweighs the BC dimming effect (-0.3 W m-2) at the surface over the HTP. We also find strong seasonal and spatial variation with a peak value of 5 W m-2 in the spring over Northwest Plateau. Such a large forcing of BC in snow is sufficient to cause earlier snow melting and potentially contribute to the acceleration of glacier retreat.« less

  4. Quantifying sources, transport, deposition, and radiative forcing of black carbon over the Himalayas and Tibetan Plateau

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

    Zhang, R.; Wang, H.; Qian, Y.; Rasch, P. J.; Easter, R. C.; Ma, P. -L.; Singh, B.; Huang, J.; Fu, Q.

    2015-06-08

    Black carbon (BC) particles over the Himalayas and Tibetan Plateau (HTP), both airborne and those deposited on snow, have been shown to affect snowmelt and glacier retreat. Since BC over the HTP may originate from a variety of geographical regions and emission sectors, it is essential to quantify the source–receptor relationships of BC in order to understand the contributions of natural and anthropogenic emissions and provide guidance for potential mitigation actions. In this study, we use the Community Atmosphere Model version 5 (CAM5) with a newly developed source-tagging technique, nudged towards the MERRA meteorological reanalysis, to characterize the fate ofmore » BC particles emitted from various geographical regions and sectors. Evaluated against observations over the HTP and surrounding regions, the model simulation shows a good agreement in the seasonal variation in the near-surface airborne BC concentrations, providing confidence to use this modeling framework for characterizing BC source–receptor relationships. Our analysis shows that the relative contributions from different geographical regions and source sectors depend on season and location in the HTP. The largest contribution to annual mean BC burden and surface deposition in the entire HTP region is from biofuel and biomass (BB) emissions in South Asia, followed by fossil fuel (FF) emissions from South Asia, then FF from East Asia. The same roles hold for all the seasonal means except for the summer, when East Asia FF becomes more important. For finer receptor regions of interest, South Asia BB and FF have the largest impact on BC in the Himalayas and central Tibetan Plateau, while East Asia FF and BB contribute the most to the northeast plateau in all seasons and southeast plateau in the summer. Central Asia and Middle East FF emissions have relatively more important contributions to BC reaching the northwest plateau, especially in the summer. Although local emissions only contribute about 10% of BC in the HTP, this contribution is extremely sensitive to local emission changes. Lastly, we show that the annual mean radiative forcing (0.42 W m-2) due to BC in snow outweighs the BC dimming effect (-0.3 W m-2) at the surface over the HTP. We also find strong seasonal and spatial variation with a peak value of 5 W m-2 in the spring over the northwest plateau. Such a large forcing of BC in snow is sufficient to cause earlier snow melting and potentially contribute to the acceleration of glacier retreat.« less

  5. Quantifying sources, transport, deposition, and radiative forcing of black carbon over the Himalayas and Tibetan Plateau

    SciTech Connect (OSTI)

    Zhang, Rudong; Wang, Hailong; Qian, Yun; Rasch, Philip J.; Easter, Richard C.; Ma, Po-Lun; Singh, Balwinder; Huang, Jianping; Fu, Qiang

    2015-01-01

    Black carbon (BC)particles over the Himalayas and Tibetan Plateau (HTP), both airborne and those deposited on snow, have been shown to affect snowmelt and glacier retreat. Since BC over the HTP may originate from a variety of geographical regions and emission sectors, it is essential to quantify the source-receptor relationships of BC in order to understand the contributions of natural and anthropogenic emissions and provide guidance for potential mitigation actions. In this study, we use the Community Atmosphere Model version 5 (CAM5) with a newly developed source tagging technique, nudged towards the MERRA meteorological reanalysis, to characterize the fate of BC particles emitted from various geographical regions and sectors. Evaluated against observations over the HTP and surrounding regions, the model simulation shows a good agreement in the seasonal variation of the near-surface airborne BC concentrations, providing confidence to use this modeling framework for characterizing BC source- receptor relationships. Our analysis shows that the relative contributions from different geographical regions and source sectors depend on seasons and the locations in the HTP. The largest contribution to annual mean BC burden and surface deposition in the entire HTP region is from biofuel and biomass (BB) emissions in South Asia, followed by fossil fuel (FF) emissions from South Asia, then FF from East Asia. The same roles hold for all the seasonal means except for the summer when East Asia FF becomes more important. For finer receptor regions of interest, South Asia BB and FF have the largest impact on BC in Himalayas and Central Tibetan Plateau, while East Asia FF and BB contribute the most to Northeast Plateau in all seasons and Southeast Plateau in the summer. Central Asia and Middle East FF emissions have relatively more important contributions to BC reaching Northwest Plateau, especially in the summer. Although the HTP local emissions only contribute about 10% of BC in the HTP, this contribution is extremely sensitive to changes in the local emissions. Lastly, we show that the annual mean radiative forcing (0.42 W m-2) due to BC in snow outweighs the BC dimming effect-0.3 W m-2)at the surface over the HTP, although the mean BC-in- snow forcing is likely overestimated. We find strong seasonal and sub -region variation with a peak value of 5W m-2 in the spring over Northwest Plateau. The annual mean dust-in-snow forcing is comparable to that of BC over the entire HTP but significantly larger than BC over the North east Plateau. Such a large forcing of BC in snow is sufficient to cause earlier snow melting and potentially contribute to the acceleration of glacier retreat

  6. Neutral Beam Injection Experiments and Related Behavior of Neutral Particles in the GAMMA 10 Tandem Mirror

    SciTech Connect (OSTI)

    Nakashima, Y. [Plasma Research Center, University of Tsukuba (Japan); Watanabe, K. [Plasma Research Center, University of Tsukuba (Japan); Higashizono, Y. [Plasma Research Center, University of Tsukuba (Japan); Ohki, T. [Plasma Research Center, University of Tsukuba (Japan); Ogita, T. [Plasma Research Center, University of Tsukuba (Japan); Shoji, M. [National Institute for Fusion Science(Japan); Kobayashi, S. [Institute of Advanced Energy, Kyoto University (Japan); Islam, M.K. [Plasma Research Center, University of Tsukuba (Japan); Kubota, Y. [Plasma Research Center, University of Tsukuba (Japan); Yoshikawa, M. [Plasma Research Center, University of Tsukuba (Japan); Kobayashi, T. [Plasma Research Center, University of Tsukuba (Japan); Yamada, M. [Plasma Research Center, University of Tsukuba (Japan); Murakami, R. [Plasma Research Center, University of Tsukuba (Japan); Cho, T. [Plasma Research Center, University of Tsukuba (Japan)

    2005-01-15

    Results of neutral beam injection (NBI) experiments in the GAMMA 10 tandem mirror plasmas are presented together with the neutral particle behavior observed in the experiments. A hydrogen neural beam was injected into the hot-ion-mode plasmas by using the injector installed in the central-cell for the plasma heating and fueling. High-energy ions produced by NBI were observed and its energy distribution was measured for the first time with a neutral particle analyzer installed in the central-cell. The temporal and spatial behavior of hydrogen was observed with axially aligned H{sub {alpha}} detectors installed from the central midplane to anchor-cell. Enhancement of hydrogen recycling due to the beam injection and the cause of the observed decrease in plasma diamagnetism are discussed. The Monte-Carlo code DEGAS for neutral transport simulation was applied to the GAMMA 10 central-cell and a 3-dimensional simulation was performed in the NBI experiment. Localization of neutral particle during the beam injection is investigated based on the simulation and it was found that the increased recycling due to the beam injection was dominant near the injection port.

  7. Multi-wavelength photometry of the T Tauri binary V582 Mon (KH 15D): A new epoch of occultations

    SciTech Connect (OSTI)

    Windemuth, Diana; Herbst, William

    2014-01-01

    We present multi-wavelength (VRIJHK) observations of KH 15D obtained in 2012/2013, as well as a master table of standard photometry spanning the years 1967 to 2013. The system is a close, eccentric T Tauri binary embedded in an inclined precessing circumbinary (CB) ring. The most recent data show the continued rise of star B with respect to the trailing edge of the occulting horizon as the system's maximum brightness steadily increases. The wealth of data in time and wavelength domains allows us to track the long-term CCD color evolution of KH 15D. We find that the V I behavior is consistent with direct and scattered light from the composite color of two stars with slightly different temperatures. There is no evidence for any reddening or bluing associated with extinction or scattering by interstellar-medium-size dust grains. Furthermore, we probe the system's faint phase behavior at near-infrared wavelengths in order to investigate extinction properties of the ring and signatures of a possible shepherding planet sometimes invoked to confine the CB ring at ?5 AU. The wavelength independence of eclipse depth at second contact is consistent with the ring material being fully opaque to 2.2 ?m. The color-magnitude diagrams demonstrate excess flux in J and H at low light levels, which may be due to the presence of a hot, young Jupiter-mass planet.

  8. Scenarios for the ATF2 Ultra-Low Betas Proposal

    SciTech Connect (OSTI)

    Marin, Eduardo; Tomas, Rogelio; Bambade, Philip; Kuroda, Shigeru; Okugi, Toshiyuki; Tauchi, Toshiaki; Terunuma, Nobuhiro; Urakawa, Junji; Parker, Brett; Seryi, Andrei; White, Glen; Woodley, Mark; /SLAC

    2012-06-29

    The current ATF2 Ultra-Low beta proposal was designed to achieve 20nm vertical IP beam size without considering the multipolar components of the FD magnets. In this paper we describe different scenarios that avoid the detrimental effect of these multipolar errors to the beam size at the interaction point (IP). The simplest approach consists in modifying the optics, but other solutions are studied as the introduction of super-conducting wigglers to reduce the emittance or the replacement of the normal-conducting focusing quadrupole in the Final Doublet (NC-QF1FF) with a super-conducting quadrupole one (SC-QF1FF). These are fully addressed in the paper.

  9. Scenarios For The ATF2 Ultra-Low Betas Proposal

    SciTech Connect (OSTI)

    Marin E.; Parker B.; Tomas R. Bambade Kuroda S. Okugi T. Tauchi T. Terunuma N. Urakawa J. Seryi A. White G. Woodley M.

    2010-05-23

    The current ATF2 Ultra-Low beta proposal was designed to achieve 20nm vertical IP beam size without considering the multipolar components of the FD magnets. In this paper we describe different scenarios that avoid the detrimental effect of these multipolar errors to the beam size at the interaction point (IP). The simplest approach consists in modifying the optics, but other solutions are studied as the introduction of super-conducting wigglers to reduce the emittance or the replacement of the normal-conducting focusing quadrupole in the Final Doublet (NC-QF1FF) with a super-conducting quadrupole one (SC-QF1FF). These are fully addressed in the paper.

  10. SPECTROSCOPIC REDSHIFTS OF GALAXIES WITHIN THE FRONTIER FIELDS

    SciTech Connect (OSTI)

    Ebeling, Harald; Ma, Cheng-Jiun; Barrett, Elizabeth

    2014-04-01

    We present a catalog of 1921 spectroscopic redshifts measured in the fields of the massive galaxy clusters MACSJ0416.12403 (z = 0.397), MACSJ0717.5+3745 (z = 0.546), and MACSJ1149.5+2223 (z = 0.544), i.e., three of the four clusters selected by Space Telescope Science Institute as the targets of the Frontier Fields (FFs) initiative for studies of the distant Universe via gravitational lensing. Compiled in the course of the Massive Cluster Survey project (MACS) that detected the FF clusters, this catalog is provided to the community for three purposes: (1) to allow the identification of cluster members for studies of the galaxy population of these extreme systems, (2) to facilitate the removal of unlensed galaxies and thus reduce shear dilution in weak-lensing analyses, and (3) to improve the calibration of photometric redshifts based on both ground- and spacebased observations of the FF clusters.

  11. Proximity induced vortices and long-range triplet supercurrents in ferromagnetic Josephson junctions and spin valves

    SciTech Connect (OSTI)

    Alidoust, Mohammad; Halterman, Klaus

    2015-03-28

    Using a spin-parameterized quasiclassical Keldysh-Usadel technique, we theoretically study supercurrent transport in several types of diffusive ferromagnetic (F)/superconducting (S) configurations with differing magnetization textures. We separate out the even- and odd-frequency components of the supercurrent within the low proximity limit and identify the relative contributions from the singlet and triplet channels. We first consider inhomogeneous one-dimensional Josephson structures consisting of a uniform bilayer magnetic S/F/F/S structure and a trilayer S/F/F/F/S configuration, in which case the outer F layers can have either a uniform or conical texture relative to the central uniform F layer. Our results demonstrate that for supercurrents flowing perpendicular to the F/F interfaces, incorporating a conical texture yields the most effective way to observe the signatures of long-ranged spin-triplet supercurrents. We also consider three different types of finite-sized two-dimensional magnetic structures subjected to an applied magnetic field normal to the junction plane: a S/F/S junction with uniform magnetization texture and two S/F/F/S configurations with differing F/F bilayer arrangements. In one case, the F/F interface is parallel with the S/F junction interfaces while in the other case, the F/F junction is oriented perpendicular to the S/F interfaces. We then discuss the proximity vortices and corresponding spatial maps of currents inside the junctions. For the uniform S/F/S junction, we analytically calculate the magnetic field induced supercurrent and pair potential in both the narrow and wide junction regimes, thus providing insight into the variations in the Fraunhofer diffraction patterns and proximity vortices when transitioning from a wide junction to a narrow one. Our extensive computations demonstrate that the induced long-range spin-triplet supercurrents can deeply penetrate uniform F/F bilayers when spin-singlet supercurrents flow parallel to the F/F interfaces. This is in stark contrast to configurations where a spin-singlet supercurrent flows perpendicular to the F/F interfaces. We pinpoint the origin of the induced triplet and singlet correlations through spatial profiles of the decomposed total supercurrents. We find that the penetration of the long-range spin-triplet supercurrents associated with supercurrents flowing parallel to the F/F interfaces is more pronounced when the thicknesses of the F strips are unequal. Finally, if one of the S terminals is replaced with a finite-sized normal metal, we demonstrate that the corresponding experimentally accessible S/F/F/N spin valve presents an effective platform in which the predicted long-range effects can be effectively generated and probed.

  12. Using Measurements of Fill Factor at High Irradiance to Deduce Heterobarrier Band Offsets: Preprint

    SciTech Connect (OSTI)

    Olson, J. M.; Steiner, M. A.; Kanevce, A.

    2011-07-01

    Using a 2D device simulation tool, we examine the high irradiance behavior of a single junction, GaAs concentrator cell as a function of the doping in the back surface confinement layer. The confinement layer is designed to be a barrier for both holes and electrons in the base of the solar cell. For a p-type base we show that the FF of the cell at high concentrations is a strong function of both the magnitude of the valence band offset and the doping level in the barrier. In short, for a given valence band offset (VBO), there is a critical barrier doping, below which the FF drops rapidly with lower doping. This behavior is confirmed experimentally for a GaInP/GaAs double heterostructure solar cell where the critical doping concentration (at 500 suns) in the back surface confinement layer is ~1e18 cm-3 for a VBO of 300 meV.

  13. A multi-stimuli responive, self-assembling, boronic acid dipeptide

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

    Jones, Brad Howard; Martinez, Alina Marissa; Wheeler, Jill S.; McKenzie, Bonnie B.; Miller, Lance Lee; Wheeler, David R.; Spoerke, Erik David

    2015-08-11

    Modification of the dipeptide of phenylalanine, FF, with a boronic acid (BA) functionality imparts unique aqueous self-assembly behavior that responds to multiple stimuli. Changes in pH and ionic strength are used to trigger hydrogelation via the formation of nanoribbon networks. Thus, we show for the first time that the binding of polyols to the BA functionality can modulate a peptide between its assembled and disassembled states.

  14. Microsoft PowerPoint - 300 Area Perspective.pptx

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

    Area Perspective 300 Area Perspective River and Plateau Committee February 15, 2012 February 15, 2012 John B. Price Business/Research Park in N Richland h d l h High Density Residential is the norm MSA Bldg and Townhouses "Smartpark" includes Townhouses High Density Residential Infiltration from Impervious Areas & Irrigation Townhouses Grass Townhouse Townhouses Grass Bare Ground from Construction Storm Sewer Asphalt Grass Grate p Remediated 1100 Area -Industrial Area f h l ff

  15. Microsoft PowerPoint - Phil.Duffy.salishan4

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

    Climate prediction for decision support: intellectual and computational challenges computational challenges Phili B D ff Philip B. Duffy Climate Central, Inc. climatecentral.org Who Am I? * Physicist * Climate research since 1990 * Climate research since 1990 * Mostly modeling * Recent focus on societal impacts of climate * Recent focus on societal impacts of climate change, esp. in California. THIS TALK APPROVED FOR climatecentral.org Thanks for dinner! Outline * Origins of climate modeling -

  16. Quantifying sources of black carbon in western North America using observationally based analysis and an emission tagging technique in the Community Atmosphere Model

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

    Zhang, R.; Wang, H.; Hegg, D. A.; Qian, Y.; Doherty, S. J.; Dang, C.; Ma, P.-L.; Rasch, P. J.; Fu, Q.

    2015-11-18

    The Community Atmosphere Model (CAM5), equipped with a technique to tag black carbon (BC) emissions by source regions and types, has been employed to establish source–receptor relationships for atmospheric BC and its deposition to snow over western North America. The CAM5 simulation was conducted with meteorological fields constrained by reanalysis for year 2013 when measurements of BC in both near-surface air and snow are available for model evaluation. We find that CAM5 has a significant low bias in predicted mixing ratios of BC in snow but only a small low bias in predicted atmospheric concentrations over northwestern USA and westernmore » Canada. Even with a strong low bias in snow mixing ratios, radiative transfer calculations show that the BC-in-snow darkening effect is substantially larger than the BC dimming effect at the surface by atmospheric BC. Local sources contribute more to near-surface atmospheric BC and to deposition than distant sources, while the latter are more important in the middle and upper troposphere where wet removal is relatively weak. Fossil fuel (FF) is the dominant source type for total column BC burden over the two regions. FF is also the dominant local source type for BC column burden, deposition, and near-surface BC, while for all distant source regions combined the contribution of biomass/biofuel (BB) is larger than FF. An observationally based positive matrix factorization (PMF) analysis of the snow-impurity chemistry is conducted to quantitatively evaluate the CAM5 BC source-type attribution. While CAM5 is qualitatively consistent with the PMF analysis with respect to partitioning of BC originating from BB and FF emissions, it significantly underestimates the relative contribution of BB. In addition to a possible low bias in BB emissions used in the simulation, the model is likely missing a significant source of snow darkening from local soil found in the observations.« less

  17. Inter-atomic force constants of BaF{sub 2} by diffuse neutron scattering measurement

    SciTech Connect (OSTI)

    Sakuma, Takashi Makhsun,; Sakai, Ryutaro; Xianglian; Takahashi, Haruyuki; Basar, Khairul; Igawa, Naoki; Danilkin, Sergey A.

    2015-04-16

    Diffuse neutron scattering measurement on BaF{sub 2} crystals was performed at 10?K and 295?K. Oscillatory form in the diffuse scattering intensity of BaF{sub 2} was observed at 295?K. The correlation effects among thermal displacements of F-F atoms were obtained from the analysis of oscillatory diffuse scattering intensity. The force constants among neighboring atoms in BaF{sub 2} were determined and compared to those in ionic crystals and semiconductors.

  18. Quantifying sources of black carbon in Western North America using observationally based analysis and an emission tagging technique in the Community Atmosphere Model

    SciTech Connect (OSTI)

    Zhang, Rudong; Wang, Hailong; Hegg, D. A.; Qian, Yun; Doherty, Sarah J.; Dang, Cheng; Ma, Po-Lun; Rasch, Philip J.; Fu, Qiang

    2015-11-18

    The Community Atmosphere Model (CAM5), equipped with a technique to tag black carbon (BC) emissions by source regions and types, has been employed to establish source-receptor relationships for atmospheric BC and its deposition to snow over Western North America. The CAM5 simulation was conducted with meteorological fields constrained by reanalysis for year 2013 when measurements of BC in both near-surface air and snow are available for model evaluation. We find that CAM5 has a significant low bias in predicted mixing ratios of BC in snow but only a small low bias in predicted atmospheric concentrations over the Northwest USA and West Canada. Even with a strong low bias in snow mixing ratios, radiative transfer calculations show that the BC-in-snow darkening effect is substantially larger than the BC dimming effect at the surface by atmospheric BC. Local sources contribute more to near-surface atmospheric BC and to deposition than distant sources, while the latter are more important in the middle and upper troposphere where wet removal is relatively weak. Fossil fuel (FF) is the dominant source type for total column BC burden over the two regions. FF is also the dominant local source type for BC column burden, deposition, and near-surface BC, while for all distant source regions combined the contribution of biomass/biofuel (BB) is larger than FF. An observationally based Positive Matrix Factorization (PMF) analysis of the snow-impurity chemistry is conducted to quantitatively evaluate the CAM5 BC source-type attribution. While CAM5 is qualitatively consistent with the PMF analysis with respect to partitioning of BC originating from BB and FF emissions, it significantly underestimates the relative contribution of BB. In addition to a possible low bias in BB emissions used in the simulation, the model is likely missing a significant source of snow darkening from local soil found in the observations.

  19. TIFF Image Writer patch for OpenSceneGraph

    Energy Science and Technology Software Center (OSTI)

    2012-01-05

    This software consists of code modifications to the open-source OpenSceneGraph software package to enable the creation of TlFF images containing 16 bit unsigned data. They also allow the user to disable compression and set the DPI tags in the resulting TIFF Images. Some image analysis programs require uncompressed, 16 bit unsigned input data. These code modifications allow programs based on OpenSceneGraph to write out such images, improving connectivity between applications.

  20. Fluor Hanford, Inc. Groundwater and Technical Integration Support (Master Project) Quality Assurance Management Plan

    SciTech Connect (OSTI)

    Fix, N. J.

    2008-02-20

    The scope of the Fluor Hanford, Inc. Groundwater and Technical Integration Support (Master Project) is to provide technical and integration support to Fluor Hanford, Inc., including operable unit investigations at 300-FF-5 and other groundwater operable units, strategic integration, technical integration and assessments, remediation decision support, and science and technology. This Quality Assurance Management Plan provides the quality assurance requirements and processes that will be followed by the Fluor Hanford, Inc. Groundwater and Technical Integration Support (Master Project).

  1. Quantifying sources of black carbon in Western North America using observationally based analysis and an emission tagging technique in the Community Atmosphere Model

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

    Zhang, R.; Wang, H.; Hegg, D. A.; Qian, Y.; Doherty, S. J.; Dang, C.; Ma, P.-L.; Rasch, P. J.; Fu, Q.

    2015-05-04

    The Community Atmosphere Model (CAM5), equipped with a technique to tag black carbon (BC) emissions by source regions and types, has been employed to establish source-receptor relationships for atmospheric BC and its deposition to snow over Western North America. The CAM5 simulation was conducted with meteorological fields constrained by reanalysis for year 2013 when measurements of BC in both near-surface air and snow are available for model evaluation. We find that CAM5 has a significant low bias in predicted mixing ratios of BC in snow but only a small low bias in predicted atmospheric concentrations over the Northwest USA andmore » West Canada. Even with a strong low bias in snow mixing ratios, radiative transfer calculations show that the BC-in-snow darkening effect is substantially larger than the BC dimming effect at the surface by atmospheric BC. Local sources contribute more to near-surface atmospheric BC and to deposition than distant sources, while the latter are more important in the middle and upper troposphere where wet removal is relatively weak. Fossil fuel (FF) is the dominant source type for total column BC burden over the two regions. FF is also the dominant local source type for BC column burden, deposition, and near-surface BC, while for all distant source regions combined the contribution of biomass/biofuel (BB) is larger than FF. An observationally based Positive Matrix Factorization (PMF) analysis of the snow-impurity chemistry is conducted to quantitatively evaluate the CAM5 BC source-type attribution. While CAM5 is qualitatively consistent with the PMF analysis with respect to partitioning of BC originating from BB and FF emissions, it significantly underestimates the relative contribution of BB. In addition to a possible low bias in BB emissions used in the simulation, the model is likely missing a significant source of snow darkening from local soil found in the observations.« less

  2. Transportation and Program Management Services

    Office of Environmental Management (EM)

    Atlanta, Georgia Transportation and Program Management Services Secured Transportation Services, LLC Founded: December, 2003 ff Staff: 7 Experience: Over 145 years combined experience in Nuclear Transportation, Security, HP & Operations Services Transportation The largest Transportation Coordinators of Spent Nuclear Fuel in North America On-Site, Hands-On Assistance (Before & During both Loading & Transport) P d A i t (W iti d/ R i ) Procedure Assistance (Writing and/or Review)

  3. Ten Projects Awarded NERSC Allocations under DOE's ALCC Program

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

    Ten Projects Awarded NERSC Allocations under DOE's ALCC Program Ten Projects Awarded NERSC Allocations under DOE's ALCC Program June 24, 2014 43251113992ff3baa1edb NERSC Computer Room. Photo by Roy Kaltschmidt, LBNL Under the Department of Energy's (DOE) ASCR Leadership Computing Challenge (ALCC) program, 10 research teams at national laboratories and universities have been awarded 382.5 million hours of computing time at the National Energy Research Scientific Computing Center (NERSC). The

  4. Spectroscopic manifestations of local crystal distortions in excited 4f states in crystals of huntite structure

    SciTech Connect (OSTI)

    Malakhovskii, A. V.; Gnatchenko, S. L.; Kachur, I. S.; Piryatinskaya, V. G.; Sukhachev, A. L.; Sokolov, A. E.; Strokova, A. Ya.; Kartashev, A. V.; Temerov, V. L.

    2013-01-15

    Optical absorption spectra of YbAl{sub 3}(BO{sub 3}){sub 4}, TmAl{sub 3}(BO{sub 3}){sub 4} and TbFe{sub 3}(BO{sub 3}){sub 4} trigonal crystals have been studied in temperature range 2-300 K. Temperature behavior of absorption lines parameters has shown, that during some f-f transitions the local environment of rare earth ions undergo distortions, which are absent in the ground state.

  5. Simulations of the quart (101-bar1)/water interface: A comparison of classical force fields, ab initi molecular dynamics, and x-ray reflectivity experiments.

    SciTech Connect (OSTI)

    Skelton, Adam; Fenter, Paul; Kubicki, James D.; Wesolowski, David J; Cummings, Peter T

    2011-01-01

    Classical molecular dynamics (CMD) simulations of the (1011) surface of quartz interacting with bulk liquid water are performed using three different classical force fields, Lopes et al., ClayFF, and CHARMM water contact angle (CWCA), and compared to ab initio molecular dynamics (AIMD) and X-ray reflectivity (XR) results. The axial densities of the water and surface atoms normal to the surface are calculated and compared to previous XR experiments. Favorable agreement is shown for all the force fields with respect to the position of the water atoms. Analyses such as the radial distribution functions between water and hydroxyl atoms and the average cosine of the angle between the water dipole vector and the normal of the surface are also calculated for each force field. Significant differences are found between the different force fields from such analyses, indicating differing descriptions of the structured water in the near vicinity of the surface. AIMD simulations are also performed to obtain the water and hydroxyl structure for comparison among the predictions of the three classical force fields to better understand which force field is most accurate. It is shown that ClayFF exhibits the best agreement with the AIMD simulations for water hydroxyl radial distribution functions, suggesting that ClayFF treats the hydrogen bonding more accurately.

  6. Improved control system of the thyristor flicker suppressor for the KEK 12-GeV PS

    SciTech Connect (OSTI)

    Matsumoto, S.; Baba, H.; Mikawa, K.; Sato, H.; Sueno, T.

    1983-08-01

    Thyristor control system of the 20 MVar flicker suppressor has been improved essentially. The previous feed forward (FF) loop with each single phase reactive current detector of the MR magnet power supply was exchanged to the present by both FF- and NFB-loops. The FF-loops consists of a three phase reactive power detector of the MPS and a forcing pattern generator on the fast but steady line voltage flicker, sag and surge. The NFB-loops control by the slow parts of the flicker and the unbalanced line voltages. These detectors of the reactive power, the voltage flicker and the unbalance have been developed. Sampled voltage flicker data with 12 bit ADC are processed by Z-80A micro computer system and the forcing pattern is generated by the system through 12 bit DAC into the loop. A typical voltage flicker including sag and surge has been reduced within + or - 1.5%, about 1/3 compared to the previous, at 66 kV primary line.

  7. High-Efficiency Polycrystalline CdTe Thin-Film Solar Cells with an Oxygenated Amorphous CdS (a-CdS:O) Window Layer: Preprint

    SciTech Connect (OSTI)

    Wu, X.; Dhere, R. G.; Yan, Y.; Romero, M. J.; Zhang, Y.; Zhou, J.; DeHart, C.; Duda, A.; Perkins, C.; To, B.

    2002-05-01

    In the conventional CdS/CdTe device structure, the poly-CdS window layer has a bandgap of {approx}2.4 eV, which causes absorption in the short-wavelength region. Higher short-circuit current densities (Jsc) can be achieved by reducing the CdS thickness, but this can adversely impact device open-circuit voltage (Voc) and fill factor (FF). Also, poly-CdS film has about 10% lattice mismatch related to the CdTe film, which limits the improvement of device Voc and FF. In this paper, we report a novel window material: oxygenated amorphous CdS film (a-CdS:O) prepared at room temperature by rf sputtering. The a-CdS:O film has a higher optical bandgap (2.5-3.1 eV) than the poly-CdS film and an amorphous structure. The preliminary device results have demonstrated that Jsc of the CdTe device can be greatly improved while maintaining higher Voc and FF. We have fabricated a CdTe cell demonstrating an NREL-confirmed Jsc of 25.85 mA/cm2 and a total-area efficiency of 15.4%.

  8. Design and package of a {sup 14}CO{sub 2} field analyzer The Global Monitor Platform (GMP)

    SciTech Connect (OSTI)

    Bright, Michelle; Marino, Bruno D.V.; Gronniger, Glen

    2011-08-01

    Carbon Capture and Sequestration (CCS) is widely accepted as a means to reduce and eliminate the fossil fuel CO{sub 2} (ff- CO{sub 2}) emissions from coal fired power plants. Success of CCS depends on near zero leakage rates over decadal time scales. Currently no commercial methods to determine leakage of ff-CO{sub 2} are available. The Global Monitor Platform (GMP) field analyzer provides high precision analysis of CO{sub 2} isotopes [12C (99%), 13C (<1%), 14C (1.2x10-10 %)] that can differentiate between fossil and biogenic CO{sub 2} emissions. Fossil fuels contain no {sup 14}C; their combustion should lower atmospheric amounts on local to global scales. There is a clear mandate for monitoring, verification and accounting (MVA) of CCS systems nationally and globally to verify CCS integrity, treaty verification (Kyoto Protocol) and to characterize the nuclear fuel cycle. Planetary Emissions Management (PEM), working with the National Secure Manufacturing Center (NSMC), has the goal of designing, ruggedizing and packaging the GMP for field deployment. The system will conduct atmosphere monitoring then adapt the system to monitor water and soil evaluations. Measuring {sup 14}CO{sub 2} in real time will provide quantitative concentration data for ff-CO{sub 2} in the atmosphere and CCS leakage detection. Initial results will be discussed along with design changes for improved detection sensitivity and manufacturability.

  9. A density functional tight binding/force field approach to the interaction of molecules with rare gas clusters: Application to (C{sub 6}H{sub 6}){sup +/0}Ar{sub n} clusters

    SciTech Connect (OSTI)

    Iftner, Christophe; Simon, Aude; Korchagina, Kseniia; Rapacioli, Mathias; Spiegelman, Fernand

    2014-01-21

    We propose in the present paper a SCC-DFTB/FF (Self-Consistent-Charge Density Functional based Tight Binding/Force-Field) scheme adapted to the investigation of molecules trapped in rare gas environments. With respect to usual FF descriptions, the model involves the interaction of quantum electrons in a molecule with rare gas atoms in an anisotropic scheme. It includes polarization and dispersion contributions and can be used for both neutral and charged species. Parameters for this model are determined for hydrocarbon-argon complexes and the model is validated for small hydrocarbons. With the future aim of studying polycyclic aromatic hydrocarbons in Ar matrices, extensive benchmark calculations are performed on (C{sub 6}H{sub 6}){sup +/0}Ar{sub n} clusters against DFT and CCSD(T) calculations for the smaller sizes, and more generally against other experimental and theoretical data. Results on the structures and energetics (isomer ordering and energy separation, cohesion energy per Ar atom) are presented in detail for n = 18, 13, 20, 27, and 30, for both neutrals and cations. We confirm that the clustering of Ar atoms leads to a monotonous decrease of the ionization potential of benzene for n ? 20, in line with previous experimental and FF data.

  10. SU-E-T-625: Use and Choice of Ionization Chambers for the Commissioning of Flattened and Flattening-Filter-Free Photon Beams: Determination of Recombination Correction Factor (ks)

    SciTech Connect (OSTI)

    Stucchi, C; Mongioj, V; Carrara, M; Pignoli, E; Bonfantini, F; Bresolin, A

    2014-06-15

    Purpose: To evaluate the recombination effect for some ionization chambers to be used for linacs commissioning for Flattened Filter (FF) and Flattening Filter Free (FFF) photon beams. Methods: A Varian TrueBeam linac with five photon beams was used: 6, 10 and 15 MV FF and 6 and 10 MV FFF. Measurements were performed in a water tank and in a plastic water phantom with different chambers: a mini-ion chamber (IC CC01, IBA), a plane-parallel ion chamber (IC PPC05, IBA) and two Farmer chambers (NE2581 and FPC05-IBA). Measurement conditions were Source- Surface Distance of 100 cm, two field sizes (10x10 and 40x40 cm2) and five depths (1cm, maximum buildup, 5cm, 10cm and 20cm). The ion recombination factors (kS), obtained from the Jaffe's plots (voltage interval 50-400 V), were evaluated at the recommended operating voltage of +300V. Results: Dose Per Pulse (DPP) at dmax was 0.4 mGy/pulse for FF beams, 1.0 mGy/pulse and 1.9 mGy/pulse for 6MV and 10 MV FFF beams respectively. For all measurement conditions, kS ranged between 0.996 and 0.999 for IC PPC05, 0.997 and 1.008 for IC CC01. For the FPC05 IBA Farmer IC, kS varied from 1.001 to 1.011 for FF beams, from 1.004 to 1.015 for 6 MV FFF and from 1.009 to 1.025 for 10 MV FFF. Whereas, for NE2581 IC the values ranged from 1.002 to 1.009 for all energy beams and measurement conditions. Conclusion: kS depends on the chamber volume and the DPP, which in turn depends on energy beam but is independent of dose rate. Ion chambers with small active volume can be reliably used for dosimetry of FF and FFF beams even without kS correction. On the contrary, for absolute dosimetry of FFF beams by Farmer ICs it is necessary to evaluate and apply the kS correction. Partially supported by Lega Italiana Lotta contro i Tumori (LILT)

  11. High-emission cold cathode

    DOE Patents [OSTI]

    Mancebo, L.

    1974-01-29

    A field-emission cathode having a multitude of field emission points for emitting a copious stream of electrons when subjected to a high field is described. The cathode is constructed by compressing a multitude of tungsten strips alternately arranged with molybdenum strips and copper ribbons or compressing alternately arranged copper plated tungsten and molybdenum strips, heating the arrangement to braze the tungsten and molybdenum strips together with the copper, machining and grinding the exposed strip edges of one side of the brazed arrangement to obtain a precisely planar surface, etching a portion of the molybdenum and copper to leave the edges of the tungsten strips protruding for electron emission, and subjecting the protruding edges of the tungsten strips to a high electric field to degas and roughen the surface to pnovide a large number of emitting points. The resulting structure is particularly useful as a cathode in a transversely excited gaseous laser where the cathode is mounted in a vacuum chamber for emitting electrons under the influence of a high electric field between the cathode and an extractor grid. The electrons pass through the extractor grid, a thin window in the wall of the laser chamber and into the laser chamber which is filled with a gaseous mixture of helium, nitrogen, and carbon dioxide. A second grid is mounted on the gaseous side of the window. The electrons pass into the laser chamber under the influence of a second electric field between the second grid and an anode in the laser chamber to raise selected gas atoms of the gaseous mixture to appropriately excited states so that a subsequent coherent light beam passing through the mixture transversely to the electron stream through windows in opposite ends of the laser chamber stimulates the excited atoms to amplify the beam. (Official Gazette)

  12. High-density grids for efficient data collection from multiple crystals

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

    Baxter, Elizabeth L.; Aguila, Laura; Alonso-Mori, Roberto; Barnes, Christopher O.; Bonagura, Christopher A.; Brehmer, Winnie; Brunger, Axel T.; Calero, Guillermo; Caradoc-Davies, Tom T.; Chatterjee, Ruchira; et al

    2015-11-03

    Higher throughput methods to mount and collect data from multiple small and radiation-sensitive crystals are important to support challenging structural investigations using microfocus synchrotron beamlines. Furthermore, efficient sample-delivery methods are essential to carry out productive femtosecond crystallography experiments at X-ray free-electron laser (XFEL) sources such as the Linac Coherent Light Source (LCLS). To address these needs, a high-density sample grid useful as a scaffold for both crystal growth and diffraction data collection has been developed and utilized for efficient goniometer-based sample delivery at synchrotron and XFEL sources. A single grid contains 75 mounting ports and fits inside an SSRL cassettemore » or uni-puck storage container. The use of grids with an SSRL cassette expands the cassette capacity up to 7200 samples. Grids may also be covered with a polymer film or sleeve for efficient room-temperature data collection from multiple samples. New automated routines have been incorporated into theBlu-Ice/DCSSexperimental control system to support grids, including semi-automated grid alignment, fully automated positioning of grid ports, rastering and automated data collection. Specialized tools have been developed to support crystallization experiments on grids, including a universal adaptor, which allows grids to be filled by commercial liquid-handling robots, as well as incubation chambers, which support vapor-diffusion and lipidic cubic phase crystallization experiments. Experiments in which crystals were loaded into grids or grown on grids using liquid-handling robots and incubation chambers are described. As a result, crystals were screened at LCLS-XPP and SSRL BL12-2 at room temperature and cryogenic temperatures.« less

  13. High-density grids for efficient data collection from multiple crystals

    SciTech Connect (OSTI)

    Baxter, Elizabeth L.; Aguila, Laura; Alonso-Mori, Roberto; Barnes, Christopher O.; Bonagura, Christopher A.; Brehmer, Winnie; Brunger, Axel T.; Calero, Guillermo; Caradoc-Davies, Tom T.; Chatterjee, Ruchira; Degrado, William F.; Fraser, James S.; Ibrahim, Mohamed; Kern, Jan; Kobilka, Brian K.; Kruse, Andrew C.; Larsson, Karl M.; Lemke, Heinrik T.; Lyubimov, Artem Y.; Manglik, Aashish; McPhillips, Scott E.; Norgren, Erik; Pang, Siew S.; Soltis, S. M.; Song, Jinhu; Thomaston, Jessica; Tsai, Yingssu; Weis, William I.; Woldeyes, Rahel A.; Yachandra, Vittal; Yano, Junko; Zouni, Athina; Cohen, Aina E.

    2016-01-01

    Higher throughput methods to mount and collect data from multiple small and radiation-sensitive crystals are important to support challenging structural investigations using microfocus synchrotron beamlines. Furthermore, efficient sample-delivery methods are essential to carry out productive femtosecond crystallography experiments at X-ray free-electron laser (XFEL) sources such as the Linac Coherent Light Source (LCLS). To address these needs, a high-density sample grid useful as a scaffold for both crystal growth and diffraction data collection has been developed and utilized for efficient goniometer-based sample delivery at synchrotron and XFEL sources. A single grid contains 75 mounting ports and fits inside an SSRL cassette or uni-puck storage container. The use of grids with an SSRL cassette expands the cassette capacity up to 7200 samples. Grids may also be covered with a polymer film or sleeve for efficient room-temperature data collection from multiple samples. New automated routines have been incorporated into theBlu-Ice/DCSSexperimental control system to support grids, including semi-automated grid alignment, fully automated positioning of grid ports, rastering and automated data collection. Specialized tools have been developed to support crystallization experiments on grids, including a universal adaptor, which allows grids to be filled by commercial liquid-handling robots, as well as incubation chambers, which support vapor-diffusion and lipidic cubic phase crystallization experiments. Experiments in which crystals were loaded into grids or grown on grids using liquid-handling robots and incubation chambers are described. Crystals were screened at LCLS-XPP and SSRL BL12-2 at room temperature and cryogenic temperatures.

  14. High-density grids for efficient data collection from multiple crystals

    SciTech Connect (OSTI)

    Baxter, Elizabeth L.; Aguila, Laura; Alonso-Mori, Roberto; Barnes, Christopher O.; Bonagura, Christopher A.; Brehmer, Winnie; Brunger, Axel T.; Calero, Guillermo; Caradoc-Davies, Tom T.; Chatterjee, Ruchira; Degrado, William F.; Fraser, James S.; Ibrahim, Mohamed; Kern, Jan; Kobilka, Brian K.; Kruse, Andrew C.; Larsson, Karl M.; Lemke, Heinrik T.; Lyubimov, Artem Y.; Manglik, Aashish; McPhillips, Scott E.; Norgren, Erik; Pang, Siew S.; Soltis, S. M.; Song, Jinhu; Thomaston, Jessica; Tsai, Yingssu; Weis, William I.; Woldeyes, Rahel A.; Yachandra, Vittal; Yano, Junko; Zouni, Athina; Cohen, Aina E.

    2015-11-03

    Higher throughput methods to mount and collect data from multiple small and radiation-sensitive crystals are important to support challenging structural investigations using microfocus synchrotron beamlines. Furthermore, efficient sample-delivery methods are essential to carry out productive femtosecond crystallography experiments at X-ray free-electron laser (XFEL) sources such as the Linac Coherent Light Source (LCLS). To address these needs, a high-density sample grid useful as a scaffold for both crystal growth and diffraction data collection has been developed and utilized for efficient goniometer-based sample delivery at synchrotron and XFEL sources. A single grid contains 75 mounting ports and fits inside an SSRL cassette or uni-puck storage container. The use of grids with an SSRL cassette expands the cassette capacity up to 7200 samples. Grids may also be covered with a polymer film or sleeve for efficient room-temperature data collection from multiple samples. New automated routines have been incorporated into theBlu-Ice/DCSSexperimental control system to support grids, including semi-automated grid alignment, fully automated positioning of grid ports, rastering and automated data collection. Specialized tools have been developed to support crystallization experiments on grids, including a universal adaptor, which allows grids to be filled by commercial liquid-handling robots, as well as incubation chambers, which support vapor-diffusion and lipidic cubic phase crystallization experiments. Experiments in which crystals were loaded into grids or grown on grids using liquid-handling robots and incubation chambers are described. As a result, crystals were screened at LCLS-XPP and SSRL BL12-2 at room temperature and cryogenic temperatures.

  15. Cyber Friendly Fire

    SciTech Connect (OSTI)

    Greitzer, Frank L.; Carroll, Thomas E.; Roberts, Adam D.

    2011-09-01

    Cyber friendly fire (FF) is a new concept that has been brought to the attention of Department of Defense (DoD) stakeholders through two workshops that were planned and conducted by the Air Force Research Laboratory (AFRL) and research conducted for AFRL by the Pacific Northwest National Laboratory. With this previous work in mind, we offer a definition of cyber FF as intentional offensive or defensive cyber/electronic actions intended to protect cyber systems against enemy forces or to attack enemy cyber systems, which unintentionally harms the mission effectiveness of friendly or neutral forces. Just as with combat friendly fire, a fundamental need in avoiding cyber FF is to maintain situation awareness (SA). We suggest that cyber SA concerns knowledge of a system's topology (connectedness and relationships of the nodes in a system), and critical knowledge elements such as the characteristics and vulnerabilities of the components that comprise the system (and that populate the nodes), the nature of the activities or work performed, and the available defensive (and offensive) countermeasures that may be applied to thwart network attacks. A training implication is to raise awareness and understanding of these critical knowledge units; an approach to decision aids and/or visualizations is to focus on supporting these critical knowledge units. To study cyber FF, we developed an unclassified security test range comprising a combination of virtual and physical devices that present a closed network for testing, simulation, and evaluation. This network offers services found on a production network without the associated costs of a real production network. Containing enough detail to appear realistic, this virtual and physical environment can be customized to represent different configurations. For our purposes, the test range was configured to appear as an Internet-connected Managed Service Provider (MSP) offering specialized web applications to the general public. The network is essentially divided into a production component that hosts the web and network services, and a user component that hosts thirty employee workstations and other end devices. The organization's network is separated from the Internet by a Cisco ASA network security device that both firewalls and detects intrusions. Business sensitive information is stored in various servers. This includes data comprising thousands of internal documents, such as finance and technical designs, email messages for the organization's employees including the CEO, CFO, and CIO, the organization's source code, and Personally Identifiable client data. Release of any of this information to unauthorized parties would have a significant, detrimental impact on the organization's reputation, which would harm earnings. The valuable information stored in these servers pose obvious points of interest for an adversary. We constructed several scenarios around this environment to support studies in cyber SA and cyber FF that may be run in the test range. We describe mitigation strategies to combat cyber FF including both training concepts and suggestions for decision aids and visualization approaches. Finally, we discuss possible future research directions.

  16. Investigating the Quartz (1010)/Water Interface using Classical and

    SciTech Connect (OSTI)

    Skelton, A A; Wesolowski, David J; Cummings, Peter T

    2011-01-01

    Two different terminations of the (1010) surface of quartz (R and ) interacting with water are simulated by classical (CMD) (using two different force fields) and ab initio molecular dynamics (AIMD) and compared with previously published X-ray reflectivity (XR) experiments. Radial distribution functions between hydroxyl and water show good agreement between AIMD and CMDusing the ClayFF force field for both terminations. The Lopes et al. (Lopes, P. E. M.; Murashov, V.; Tazi, M.; Demchuk, E.; MacKerell, A. D. J. Phys. Chem. B 2006, 110, 27822792) force field (LFF), however, underestimates the extent of hydroxylwater hydrogen bonding. The termination is found to contain hydroxylhydroxyl hydrogen bonds; the quartz surface hydroxyl hydrogens and oxygens that hydrogen bond with each other exhibit greatly reduced hydrogen bonding to water. Conversely, the hydroxyl hydrogen and oxygens that are not hydrogen bonded to other surface hydroxyls but are connected to those that are show a considerable amount of hydrogen bonding to water. The electron density distribution of an annealed surface of quartz (1010) obtained by XR is in qualitative agreement with electron densities calculated byCMDand AIMD. In all simulation methods, the interfacial water peak appears farther from the surface than observed by XR. Agreement among AIMD, LFF, and XR is observed for the relaxation of the near-surface atoms; however, ClayFF shows a larger discrepancy. Overall, results show that for both terminations of (1010), LFF treats the near-surface structure more accurately whereas ClayFF treats the interfacial water structure more accurately. It is shown that the number of hydroxyl and water hydrogen bonds to the bridging SiOSi oxygens connecting the surface silica groups to the rest of the crystal is much greater for the R than the termination. It is suggested that this may play a role in the greater resistance to dissolution of the termination than that of the R termination.

  17. The structure, dynamics, and star formation rate of the Orion nebula cluster

    SciTech Connect (OSTI)

    Da Rio, Nicola; Tan, Jonathan C.; Jaehnig, Karl

    2014-11-01

    The spatial morphology and dynamical status of a young, still-forming stellar cluster provide valuable clues to the conditions during the star formation event and the processes that regulated it. We analyze the Orion Nebula Cluster (ONC), utilizing the latest censuses of its stellar content and membership estimates over a large wavelength range. We determine the center of mass of the ONC and study the radial dependence of angular substructure. The core appears rounder and smoother than the outskirts, which is consistent with a higher degree of dynamical processing. At larger distances, the departure from circular symmetry is mostly driven by the elongation of the system, with very little additional substructure, indicating a somewhat evolved spatial morphology or an expanding halo. We determine the mass density profile of the cluster, which is well fitted by a power law that is slightly steeper than a singular isothermal sphere. Together with the interstellar medium density, which is estimated from average stellar extinction, the mass content of the ONC is insufficient by a factor ?1.8 to reproduce the observed velocity dispersion from virialized motions, in agreement with previous assessments that the ONC is moderately supervirial. This may indicate recent gas dispersal. Based on the latest estimates for the age spread in the system and our density profiles, we find that at the half-mass radius, 90% of the stellar population formed within ?5-8 free-fall times (t {sub ff}). This implies a star formation efficiency per t {sub ff} of ?{sub ff} ? 0.04-0.07 (i.e., relatively slow and inefficient star formation rates during star cluster formation).

  18. Computational Capabilities for Predictions of Interactions at the Grain Boundary of Refractory Alloys

    SciTech Connect (OSTI)

    Sengupta, Debasis; Kwak, Shaun; Vasenkov, Alex; Shin, Yun Kyung; Duin, Adri van

    2014-09-30

    New high performance refractory alloys are critically required for improving efficiency and decreasing CO2 emissions of fossil energy systems. The development of these materials remains slow because it is driven by a trial-and-error experimental approach and lacks a rational design approach. Atomistic Molecular Dynamic (MD) design has the potential to accelerate this development through the prediction of mechanical properties and corrosion resistance of new materials. The success of MD simulations depends critically on the fidelity of interatomic potentials. This project, in collaboration with Penn State, has focused on developing and validating high quality quantum mechanics based reactive potentials, ReaxFF, for Ni-Fe-Al-Cr-O-S system. A larger number of accurate density functional theory (DFT) calculations were performed to generate data for parameterizing the ReaxFF potentials. These potentials were then used in molecular dynamics (MD) and molecular dynamics-Monte Carlo (MD-MC) for much larger system to study for which DFT calculation would be prohibitively expensive, and to understand a number of chemical phenomena Ni-Fe-Al-Cr-O-S based alloy systems . These include catalytic oxidation of butane on clean Cr2O3 and pyrite/Cr2O3, interfacial reaction between Cr2O3 (refractory material) and Al2O3 (slag), cohesive strength of at the grain boundary of S-enriched Cr compared to bulk Cr and Ssegregation study in Al, Al2O3, Cr and Cr2O3 with a grain structure. The developed quantum based ReaxFF potential are available from the authors upon request. During this project, a number of papers were published in peer-reviewed journals. In addition, several conference presentations were made.

  19. Chlorine enhancement of SO{sub 2} removal efficiency in a spray dryer absorber/fabric filter pilot plant

    SciTech Connect (OSTI)

    Jefcoat, I.A.; Stewart, C.L.; Pearson, T.E.

    1995-12-31

    The presence of chloride ions in a flue gas has been shown to increase the removal efficiency of SO{sub 2} in a spray dryer absorber/fabric filter (SDA/FF). The quantification of this effect has not been reported previously. A 90 cfm gas-fired pilot plant was used at the University to simulate burning coals containing various weight percent chloride. Results from the study were in agreement with those found in the literature. A predictive model was developed for the incremental removal efficiency, which was found to be dependent on the time to SO{sub 2} ratio and weight percent chloride in the coal.

  20. PDSF User Meeting 05-05-15.pptx

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

    5 Lisa Gerhardt Utilization --- 2 --- Past Outages * 4/21/15 (3 hours): project degraded * 4/22/15 ( 3 d ays): p roject d egraded ( PDSF p rojecCo turned off) Planned Outages * None PDSF Move Update * Data m igraCon t o p roject / n ew s torage: N ow * Mendel + i nstallaCon ( 3 w eeks): J uly * Mendel m ove ( 3 w eeks): A ugust * PDSF s torage ( 2 w eeks): A ugust * Turn o ff o ld c omputes: S eptember? * Carver r eCres: e nd o f S eptember * Project ( 3 w eeks d eg, 1 day): November Retiring

  1. OR I GI N A L S I GN E D B Y CONTINATION HEETIREFERENCE

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

    CONTINATION HEETIREFERENCE NO OF DOCUMENT BEING CONTINUED AEO DE-AC27-08RV14800/064 2AG OF NAME OF OFFEROR OR CONTRACTOR WASHINGTON RIVER PROTECTION SOLUTIONS LLC ITEM NO. SUPPLIES/SERVICES QUANTITY UNIT UNIT PRICE AMOUNT (A) (B) (C) (D) (F)(F Obligated Amount for this Modification: $53, 327, 186.59 New Total Obdigated Amount for this Award: $1, 181,248,170.41 incremental Funded Amount changed: from $1, 127, 920, 983.82 to $1,181,248,170.41 Account code: WRPS Fund 01250 Appr Year 2007 Aiottee 34

  2. Thermophoretic separation of aerosol particles from a sampled gas stream

    DOE Patents [OSTI]

    Postma, A.K.

    1984-09-07

    This disclosure relates to separation of aerosol particles from gas samples withdrawn from within a contained atmosphere, such as containment vessels for nuclear reactors or other process equipment where remote gaseous sampling is required. It is specifically directed to separation of dense aerosols including particles of any size and at high mass loadings and high corrosivity. The United States Government has rights in this invention pursuant to Contract DE-AC06-76FF02170 between the US Department of Energy and Westinghouse Electric Corporation.

  3. I,

    Office of Legacy Management (LM)

    ;. i I, .;-' T, f !tWs doccmct ccnciste of J&--a, ; . No. 18 of y8 copies, Se&a,. , ! :, , ! . : TO I B. L. Kirk, Dlreotor. Production Dioision DATS: Kay Zr) 1953 FROM I F' 1NAL DETERMINATION SUBJECT: SUMiATION OF WASTE FfRSIm, A rampling program for variouo waste reaiduea looated at Mm and Ha1e.t aites (GlS, L-SO, L-50, P-78, R-10 and R-lO(Pe) wan oonduoted " between Deoember 1. 1962 and January 22, 1953. The purpose of the sampling program was to: ,l. Provide the Chemioal

  4. SITES ELIHlNAlED FRCil FUW' ~1WWk'l ffi LY

    Office of Legacy Management (LM)

    SITES ELIHlNAlED FRCil FUW' ~1WWk'l ffi LY Lfcfi0n 31, I?%7 STGTE m rtE!xm ICmFIED cm&B fi re3xf.H ROJECT TIM #% HER M JWDlCTICd Cf M W.&f&t ff NIF, Ml TtE FKILIIY If0 LICWSES TO WRE ffiDliXClIVE tt%iML. IVJ R&w mm IS h-m. STTE S#W MC&TED W P4DlOKTIVIN kmvi t+mi BkcTmam

  5. Status of Simonds Saw and Steel Co., Lockport, New York Bob Bowles

    Office of Legacy Management (LM)

    03 APR 2 t ?@'I ,NE-23 Status of Simonds Saw and Steel Co., Lockport, New York Bob Bowles Oak Ridge Operations Office ti' 1 JJ-~ b y, , ac F!F-23 wsr 4.lJ7lr.7 l!E 23 Attached are the files relating to the elimination of the Lockport site from FUSRAP, which should respond to EPA Region II requests. As I indicated, the site is contaminated (primarily surface contamination) but was eliminated from the program because the Department has no authority under the AEA to conduct any remedial action at

  6. NERSC.COE.key.actions-4.pptx

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

    NERSC8 CoE Key Actions when optimizing for KNL Nathan Wichmann wichmann@cray.com Outline 2/24/2014 Cray Private 2 Characterization and Multi-node Considerations ● Target Science ● Profiles and Hotspots ● Scaling and Communication Single node optimizations ● Memory and cache footprint analysis ● Memory bandwidth requirements ● Vectorization ● Creating a kernel to aid in further analysis and testing Example: BerkeleyGW - FF kernel What Science do you want to run on Cori 3 Identify 1

  7. AMENDMENT OF SOLICITATION/MODIFICATION OF CONTRACT 11. CONTRACT ID CODE

    National Nuclear Security Administration (NNSA)

    I PAGE OF PAGES 1 I 2 2. AMENDMENT/MODIFICATION NO. 3. EFFECTIVE DATE 4. REQUISITION/PURCHASE REQ. NO. 15. PROJECT NO. (ff applicable) 0259 See Block 16C 6. ISSUED BY CODE 05003 7. ADMINISTERED BY (If other than Item 6) coDE 105003 NNSA/Los Alamos Site Office NNSA/Los Alamos Site Office u. s. Department of Energy u. s. Department of Energy NNSA/Los Alamos Site Office Los Alamos Site Off ice 3747 West Jemez Road 3747 West Jemez Road Los Alamos NM 87544 Los Alamos NM 87544 8. NAME AND ADDRESS OF

  8. Asymmetric Anderson model and spin excitations in the Kondo insulator YbB{sub 12}

    SciTech Connect (OSTI)

    Barabanov, A. F.; Maksimov, L. A.

    2009-07-15

    A cluster problem is analyzed as an example demonstrating that the observed three-mode behavior of spin-triplet excitations in YbB{sub 12} can be described by the asymmetric Anderson model with insulating singlet ground state. In the case of an infinite system, it is argued that the behavior of the f subsystem can be analyzed by using an effective Hamiltonian H{sub J} with direct antiferromagnetic f-f exchange interaction. The spin excitation spectrum is shown to have a minimum at the antiferromagnetic vector, as observed experimentally. A distinctive feature of the analysis is the use of singlet and triplet basis operators.

  9. A study of cryogenic techniques for operating hydrogen masers. Interim report, 1 July 1979-31 January 1980

    SciTech Connect (OSTI)

    Vessot, R.F.C.

    1980-02-01

    Cryogenic Techniques are applied to the Atomic Hydrogen Maser Frequency Standard to extend the storage time of the atoms and reduce the thermal noise accompanying the signal and within the resonance linewidth. Oscillation has been achieved below 25K using wall coatings of frozen CF 4. A pair of new masers is under construction so that frequency stability improvement can be measured. Stability at the 10 to the -16th power level in Delta f/f for averaging time intervals of 1,000 seconds is expected at temperatures below 30K.

  10. USDOE/DAO

    Office of Legacy Management (LM)

    c-12-19' % 16:37 Ff?ON USDOE/DAO . A....- ------ -- _ _ .__-- ---- r- \ ~cwd~ TO 83014271534 P.002 HIZTORY THE PHYTOII PROJECT ' EC-12-1994 16: 37 FROM usDoEaRo TO : e3014271534 P.003 w HlSfORY OF THE DAYTON PROJECT Keith V. Gilbert I ! June 1969 llonsanco Research Corporation ' A Subsidiary of Monsanro COmPanY MOUND LABORATORY Miamisburg, Ohio Operated for United States Atomic Energy Commission U.S. Government Contract No. AT-33- I-GEN-S3 1 The dwolopunt al the )60-million Atomic Energy

  11. RAP - Transcribed Flipcharts

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

    February 9, 2016 Groundwater Update  Final report on 300-FF-5 sequestration test in May 2016 o DOE to provide update to RAP Update on 618-10 Burial Ground Vertical Pipe Units  Question on cost figures, follow-up from DOE-RL  Distribute incident report to committee, facilitation team to coordinate with DOE  Potential update in August/September 2016 o Status of augering/excavation and other updates Environmental Restoration and Disposal Facility (ERDF) Update  Brief update on cap

  12. Microsoft PowerPoint - HAB RAP 618-10-11 8-12-09.pptx

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

    - Richland Operations Office 618-10 & 11 Burial Ground Remediation Planning Chris Smith, Deputy Federal Project Director, River Corridor Closure Project August 12, 2009 618 10/11 B i l G d Department of Energy - Richland Operations Office 618-10/11 Burial Grounds * Burial grounds operated in support of 300 Area work 618 10 d f 1953 1964 * 618-10 operated from 1953-1964. * 12 trenches and 94 VPUs * 618-11 operated from 1962-1967 * 3 trenches and 54 VPUs and 5 caissons * 300-FF-2 ROD provided

  13. Direct Analysis of JV-Curves Applied to an Outdoor-Degrading CdTe Module (Presentation)

    SciTech Connect (OSTI)

    Jordan, D; Kurtz, S.; Ulbrich, C.; Gerber, A.; Rau, U.

    2014-03-01

    We present the application of a phenomenological four parameter equation to fit and analyze regularly measured current density-voltage JV curves of a CdTe module during 2.5 years of outdoor operation. The parameters are physically meaningful, i.e. the short circuit current density Jsc, open circuit voltage Voc and differential resistances Rsc, and Roc. For the chosen module, the fill factor FF degradation overweighs the degradation of Jsc and Voc. Interestingly, with outdoor exposure, not only the conductance at short circuit, Gsc, increases but also the Gsc(Jsc)-dependence. This is well explained with an increase in voltage dependent charge carrier collection in CdTe.

  14. Observation of coherently enhanced tunable narrow-band terahertz transition radiation from a relativistic sub-picosecond electron bunch train

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

    Piot, P.; Sun, Y. -E; Maxwell, T. J.; Ruan, J.; Lumpkin, A. H.; Rihaoui, M. M.; Thurman-Keup, R.

    2011-06-27

    We experimentally demonstrate the production of narrow-band (?f/f ~ =20% at f ~ = 0.5 THz) THz transition radiation with tunable frequency over [0.37, 0.86] THz. The radiation is produced as a train of sub-picosecond relativistic electron bunches transits at the vacuum-aluminum interface of an aluminum converter screen. We also show a possible application of modulated beams to extend the dynamical range of a popular bunch length diagnostic technique based on the spectral analysis of coherent radiation.

  15. Approximate photochemical dynamics of azobenzene with reactive force fields

    SciTech Connect (OSTI)

    Li, Yan; Hartke, Bernd

    2013-12-14

    We have fitted reactive force fields of the ReaxFF type to the ground and first excited electronic states of azobenzene, using global parameter optimization by genetic algorithms. Upon coupling with a simple energy-gap transition probability model, this setup allows for completely force-field-based simulations of photochemical cis?trans- and trans?cis-isomerizations of azobenzene, with qualitatively acceptable quantum yields. This paves the way towards large-scale dynamics simulations of molecular machines, including bond breaking and formation (via the reactive force field) as well as photochemical engines (presented in this work)

  16. I PHAEi:'I:. REM E :ACTO N

    Office of Legacy Management (LM)

    PHAEi:'I:. REM E :ACTO N *S0= =F* ltw :::.: .:- :.i.- * :: ..: ** :::::::::::::::::: I. .'Sl4.l . g .... 1/X's~~~ ::i':-:i::11:!:i':' :o::: : :::: ::::::. :. : * , :! ::: If'000;St;:ffULHS 0-;0y~Ar 0 PtS'tltl05 i; t 000; H~~i; 0 t~t < The Oak Ridge Institute for Science and Education (ORISE) was established by the U.S. Department of Energy to undertake national and international programs in science and engineering education, training and management systems, energy and environment systems, and

  17. Tomographic imaging using poissonian detector data

    DOE Patents [OSTI]

    Aspelmeier, Timo; Ebel, Gernot; Hoeschen, Christoph

    2013-10-15

    An image reconstruction method for reconstructing a tomographic image (f.sub.j) of a region of investigation within an object (1), comprises the steps of providing detector data (y.sub.i) comprising Poisson random values measured at an i-th of a plurality of different positions, e.g. i=(k,l) with pixel index k on a detector device and angular index l referring to both the angular position (.alpha..sub.l) and the rotation radius (r.sub.l) of the detector device (10) relative to the object (1), providing a predetermined system matrix A.sub.ij assigning a j-th voxel of the object (1) to the i-th detector data (y.sub.i), and reconstructing the tomographic image (f.sub.j) based on the detector data (y.sub.i), said reconstructing step including a procedure of minimizing a functional F(f) depending on the detector data (y.sub.i) and the system matrix A.sub.ij and additionally including a sparse or compressive representation of the object (1) in an orthobasis T, wherein the tomographic image (f.sub.j) represents the global minimum of the functional F(f). Furthermore, an imaging method and an imaging device using the image reconstruction method are described.

  18. A New Method of Prompt Fission Neutron Energy Spectrum Unfolding

    SciTech Connect (OSTI)

    Zeynalova, O. V. [Moscow State Institute of Radioengineering, Electronics and Automation, Moscow (Russian Federation); Joint Institute for Nuclear Research, Dubna (Russian Federation); Zeynalov, Sh. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Hambsch, F.-J.; Oberstedt, S. [EC-JRC-Institute for Reference Materials and Measurements, Geel (Belgium)

    2010-11-25

    The prompt neutron emission in spontaneous fission of {sup 252}Cf has been investigated applying digital signal electronics along with associated digital signal processing algorithms. The goal was to find out the reasons of a long time existing discrepancy between theoretical calculations and the measurements of prompt fission neutron (PFN) emission dependence on the total kinetic energy (TKE) of fission fragments (FF). On the one hand the {sup 252}Cf(sf) reaction is one of the main references for nuclear data, on the other hand the understanding of PFN emission mechanism is very important for nuclear fission theory. Using a twin Frisch-grid ionization chamber for fission fragment (FF) detection and a NE213-equivalent neutron detector in total about 10{sup 7} fission fragment-neutron coincidences have been registered. Fission fragment kinetic energy, mass and angular distribution, neutron time-of-flight and pulse shape have been investigated using a 12 bit waveform digitizer. The signal waveforms have been analyzed using digital signal processing algorithms. For the first time the dependence of the number of emitted neutrons as a function of total kinetic energy (TKE) of the fragments is in very good agreement with theoretical calculations in the range of TKE from 140-220 MeV.

  19. Structures, Mechanisms, and Kinetics of Ammoxidation and Selective Oxidation of Propane Over the M2 Phase of MoVNbTeO Catalysts

    SciTech Connect (OSTI)

    Goddard, William A.; Liu, Lianchi; Mueller, Jonathan E.; Pudar, Sanja; Nielsen, Robert J.

    2011-05-04

    We report here first-principles-based predictions of the structures, mechanisms, and activation barriers for propane activation by the M2 phase of the MoVNbTeO multi-metal oxide catalysts capable of the direct conversion of propane to acrylonitrile. Our approach is to combine extensive quantum mechanical (QM) calculations to establish the mechanisms for idealized representations of the surfaces for these catalytic systems and then to modify the parameters in the ReaxFF reactive force field for molecular dynamics (MD) calculations to describe accurately the activation barriers and reaction mechanisms of the chemical reactions over complex mixed metal oxides. The parameters for ReaxFF are derived entirely from QM without the use of empirical data so that it can be applied to novel systems on which there is little or no data. To understand the catalysis in these systems it is essential to determine the surface structures that control the surface chemistry. High quality three-dimensional (3D) Rietveld structures are now available for the M1 and M2 phases of the MoVNbTeO catalysts.

  20. Development of a 2.0 eV AlGaInP Solar Cell Grown by OMVPE

    SciTech Connect (OSTI)

    Perl, Emmett E.; Simon, John; Geisz, John F.; Olavarria, Waldo; Young, Michelle; Duda, Anna; Dippo, Pat; Friedman, Daniel J.; Steiner, Myles A.

    2015-06-14

    AlGaInP solar cells with a bandgap (Eg) of ~2.0 eV are developed for use in next-generation multijunction photovoltaic devices. This material system is of great interest for both space and concentrator photovoltaics due to its high bandgap, which enables the development of high-efficiency five-junction and six-junction devices and is also useful for solar cells operated at elevated temperatures. In this work, we explore the conditions for the Organometallic Vapor Phase Epitaxy (OMVPE) growth of AlGaInP and study their effects on cell performance. A ~2.0 eV AlGaInP solar cell is demonstrated with an open circuit voltage (VOC) of 1.59V, a bandgap-voltage offset (WOC) of 420mV, a fill factor (FF) of 88.0%, and an efficiency of 14.8%. These AlGaInP cells have attained a similar FF, WOC and internal quantum efficiency (IQE) to the best upright GaInP cells grown in our lab to date.

  1. TOWARD UNDERSTANDING STELLAR RADIAL VELOCITY JITTER AS A FUNCTION OF WAVELENGTH: THE SUN AS A PROXY

    SciTech Connect (OSTI)

    Marchwinski, Robert C.; Mahadevan, Suvrath; Robertson, Paul; Ramsey, Lawrence; Harder, Jerald E-mail: suvrath@astro.psu.edu E-mail: lwr@psu.edu

    2015-01-01

    Using solar spectral irradiance measurements from the SORCE spacecraft and the F/F' technique, we have estimated the radial velocity (RV) scatter induced on the Sun by stellar activity as a function of wavelength. Our goal was to evaluate the potential advantages of using new near-infrared (NIR) spectrographs to search for low-mass planets around bright F, G, and K stars by beating down activity effects. Unlike M dwarfs, which have higher fluxes and therefore greater RV information content in the NIR, solar-type stars are brightest at visible wavelengths, and, based solely on information content, are better suited to traditional optical RV surveys. However, we find that the F/F' estimated RV noise induced by stellar activity is diminished by up to a factor of four in the NIR versus the visible. Observations with the upcoming future generation of NIR instruments can be a valuable addition to the search for low-mass planets around bright FGK stars in reducing the amount of stellar noise affecting RV measurements.

  2. Efficient solution-processed small molecule: Cadmium selenide quantum dot bulk heterojunction solar cells

    SciTech Connect (OSTI)

    Gupta, Vinay; Department of Physics, University of California, Santa Barbara, California 93106 ; Upreti, Tanvi; Chand, Suresh

    2013-12-16

    We report bulk heterojunction solar cells based on blends of solution-processed small molecule [7,7?-(4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b?]dithiophene-2,6-diyl) bis(6-fluoro-4-(5?-hexyl-[2,2?-bithiophen]-5yl)benzo[c] [1,2,5] thiadiazole)] p-DTS(FBTTh{sub 2}){sub 2}: Cadmium Selenide (CdSe) (70:30, 60:40, 50:50, and 40:60) in the device configuration: Indium Tin Oxide /poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS)/p-DTS(FBTTh{sub 2}){sub 2}: CdSe/Ca/Al. The optimized ratio of p-DTS(FBTTh{sub 2}){sub 2}:CdSe::60:40 leads to a short circuit current density (J{sub sc})?=?5.45?mA/cm{sup 2}, open circuit voltage (V{sub oc})?=?0.727?V, and fill factor (FF)?=?51%, and a power conversion efficiency?=?2.02% at 100 mW/cm{sup 2} under AM1.5G illumination. The J{sub sc} and FF are sensitive to the ratio of p-DTS(FBTTh{sub 2}){sub 2}:CdSe, which is a crucial factor for the device performance.

  3. In-situ gamma-ray assay of the west cell line in the 235-F plutonium fuel form facility

    SciTech Connect (OSTI)

    Couture, A. H.; Diprete, D.

    2014-09-01

    On August 29th, 2013, scientists from SRNL took a series of in-situ gamma-ray measurements in the maintenance trench beneath Cells 6-9 on the west line of the PuFF facility using an uncollimated, highpurity germanium detector. The detector efficiency was estimated using a combination of MCNP simulations and empirical measurements. Data analysis was performed using three gamma-rays emitted by Pu-238 (99.85 keV, 152.7 keV, and 766.4 keV) providing three independent estimates of the mass of Pu-238 holdup in each of the cells. The weighted mean of these three results was used as the best estimate of Pu-238 holdup in the West Cell Line of PuFF. The results of the assay measurements are found in the table below along with the results from the scoping assay performed in 2006. All uncertainties in this table (as well as the rest of the report) are given as 1σ. The total holdup in the West Cell Line was 2.4 ± 0.7 grams. This result is 0.6 g higher than the previous estimate, a 0.4σ difference.

  4. Site Characterization Data from the U3ax/bl Exploratory Boreholes at the Nevada Test Site

    SciTech Connect (OSTI)

    Bechtel Nevada; U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office

    2005-08-01

    This report provides qualitative analyses and preliminary interpretations of hydrogeologic data obtained from two 45-degree, slanted exploratory boreholes drilled within the Area 3 Radioactive Waste Management Site (RWMS) at the Nevada Test Site. Borehole UE-3bl-D1 was drilled beneath the U3ax/bl mixed waste disposal unit, and Borehole UE-3bl-U1 was drilled in undisturbed alluvium adjacent to the disposal unit. The U3ax/bl disposal unit is located within two conjoined subsidence craters, U3ax and U3bl, which were created by underground nuclear testing. Data from these boreholes were collected to support site characterization activities for the U3ax/bl disposal unit and the entire Area 3 RWMS. Site characterization at disposal units within the Area 3 RWMS must address the possibility that subsidence craters and associated disturbed alluvium of the chimneys beneath the craters might serve as pathways for contaminant migration. The two boreholes were drilled and sampled to compare hydrogeologic properties of alluvium below the waste disposal unit with those of adjacent undisturbed alluvium. Whether Borehole UE-3bl-D1 actually penetrated the chimney of the U3bl crater is uncertain. Analyses of core samples showed little difference in hydrogeologic properties between the two boreholes. Important findings of this study include the following: No hazardous or radioactive constituents of waste disposal concern were found in the samples obtained from either borehole. No significant differences in physical and hydrogeologic properties between boreholes is evident, and no evidence of significant trends with depth for any of these properties was observed. The values observed are typical of sandy materials. The alluvium is dry, with volumetric water content ranging from 5.6 to 16.2 percent. Both boreholes exhibit a slight increase in water content with depth, the only such trend observed. Water potential measurements on core samples from both boreholes show a large positive potential gradient (water moves upward, via evapotranspiration) for the entire vertical depth. Very little liquid flow occurs through the vadose zone. The direction of flow in the upper vadose zone (approximately the upper 35 meters) is upward, based on unsaturated hydraulic conductivity data, water potential data, and environmental tracer data.

  5. Global carbon budget 2014

    SciTech Connect (OSTI)

    Le Quéré, C.; Moriarty, R.; Andrew, R. M.; Peters, G. P.; Ciais, P.; Friedlingstein, P.; Jones, S. D.; Sitch, S.; Tans, P.; Arneth, A.; Boden, T. A.; Bopp, L.; Bozec, Y.; Canadell, J. G.; Chini, L. P.; Chevallier, F.; Cosca, C. E.; Harris, I.; Hoppema, M.; Houghton, R. A.; House, J. I.; Jain, A. K.; Johannessen, T.; Kato, E.; Keeling, R. F.; Kitidis, V.; Klein Goldewijk, K.; Koven, C.; Landa, C. S.; Landschützer, P.; Lenton, A.; Lima, I. D.; Marland, G.; Mathis, J. T.; Metzl, N.; Nojiri, Y.; Olsen, A.; Ono, T.; Peng, S.; Peters, W.; Pfeil, B.; Poulter, B.; Raupach, M. R.; Regnier, P.; Rödenbeck, C.; Saito, S.; Salisbury, J. E.; Schuster, U.; Schwinger, J.; Séférian, R.; Segschneider, J.; Steinhoff, T.; Stocker, B. D.; Sutton, A. J.; Takahashi, T.; Tilbrook, B.; van der Werf, G. R.; Viovy, N.; Wang, Y.-P.; Wanninkhof, R.; Wiltshire, A.; Zeng, N.

    2015-05-08

    Accurate assessment of anthropogenic carbon dioxide (CO2) emissions and their redistribution among the atmosphere, ocean, and terrestrial biosphere is important to better understand the global carbon cycle, support the development of climate policies, and project future climate change. Here we describe data sets and a methodology to quantify all major components of the global carbon budget, including their uncertainties, based on the combination of a range of data, algorithms, statistics, and model estimates and their interpretation by a broad scientific community. We discuss changes compared to previous estimates, consistency within and among components, alongside methodology and data limitations. CO2 emissions from fossil fuel combustion and cement production (EFF) are based on energy statistics and cement production data, respectively, while emissions from land-use change (ELUC), mainly deforestation, are based on combined evidence from land-cover-change data, fire activity associated with deforestation, and models. The global atmospheric CO2 concentration is measured directly and its rate of growth (GATM) is computed from the annual changes in concentration. The mean ocean CO2 sink (SOCEAN) is based on observations from the 1990s, while the annual anomalies and trends are estimated with ocean models. The variability in SOCEAN is evaluated with data products based on surveys of ocean CO2 measurements. The global residual terrestrial CO2 sink (SLAND) is estimated by the difference of the other terms of the global carbon budget and compared to results of independent dynamic global vegetation models forced by observed climate, CO2, and land-cover-change (some including nitrogen–carbon interactions). We compare the mean land and ocean fluxes and their variability to estimates from three atmospheric inverse methods for three broad latitude bands. All uncertainties are reported as ±1σ;, reflecting the current capacity to characterise the annual estimates of each component of the global carbon budget. For the last decade available (2004–2013), EFF was 8.9 ± 0.4 GtC yr⁻¹,ELUC 0.9 ± 0.5 GtC yr⁻¹, GATM 4.3 ± 0.1 GtC yr⁻¹, SOCEAN 2.6 ± 0.5 GtC yr⁻¹, and SLAND 2.9 ± 0.8 GtC yr⁻¹. For year 2013 alone, EFF grew to 9.9 ± 0.5 GtC yr⁻¹, 2.3% above 2012, continuing the growth trend in these emissions, ELUC was 0.9 ± 0.5 GtC yr⁻¹, GATM was 5.4 ± 0.2 GtC yr⁻¹, SOCEAN was 2.9 ± 0.5 GtC yr⁻¹, and SLAND was 2.5 ± 0.9 GtC yr⁻¹. GATM was high in 2013, reflecting a steady increase in EFF and smaller and opposite changes between SOCEAN and SLAND compared to the past decade (2004–2013). The global atmospheric CO2 concentration reached 395.31 ± 0.10 ppm averaged over 2013. We estimate that EFF will increase by 2.5% (1.3–3.5%) to 10.1 ± 0.6 GtC in 2014 (37.0 ± 2.2 GtCO2 yr⁻¹), 65% above emissions in 1990, based on projections of world gross domestic product and recent changes in the carbon intensity of the global economy. From this projection of EFF and assumed constant ELUC for 2014, cumulative emissions of CO2 will reach about 545 ± 55 GtC (2000 ± 200 GtCO2) for 1870–2014, about 75% from EFF and 25% from ELUC. This paper documents changes in the methods and data sets used in this new carbon budget compared with previous publications of this living data set (Le Quéré et al., 2013, 2014). All observations presented here can be downloaded from the Carbon Dioxide Information Analysis Center (doi:10.3334/CDIAC/GCP_2014).

  6. Phosphorylation at tyrosine 114 of Proliferating Cell Nuclear Antigen (PCNA) is required for adipogenesis in response to high fat diet

    SciTech Connect (OSTI)

    Lo, Yuan-Hung; Ho, Po-Chun; Chen, Min-Shan; Hugo, Eric; Ben-Jonathan, Nira; Department of Environmental Health, University of Cincinnati College of Medicine, 3223 Eden Avenue, Kettering Laboratory, Cincinnati, OH 45267-0056 ; Wang, Shao-Chun; Department of Environmental Health, University of Cincinnati College of Medicine, 3223 Eden Avenue, Kettering Laboratory, Cincinnati, OH 45267-0056

    2013-01-04

    Highlights: Black-Right-Pointing-Pointer Proliferating Cell Nuclear Antigen (PCNA) is phosphorylated at Y114. Black-Right-Pointing-Pointer Phospho-Y114 of PCNA is not required for cell proliferation for normal growth. Black-Right-Pointing-Pointer MCE during adipogenesis is abolished in the lack of the phosphorylation. Black-Right-Pointing-Pointer Homozygous Y114F mice are resistant to high fat diet induced obesity. Black-Right-Pointing-Pointer Our results shed light on the interface between proliferation and differentiation. -- Abstract: Clonal proliferation is an obligatory component of adipogenesis. Although several cell cycle regulators are known to participate in the transition between pre-adipocyte proliferation and terminal adipocyte differentiation, how the core DNA synthesis machinery is coordinately regulated in adipogenesis remains elusive. PCNA (Proliferating Cell Nuclear Antigen) is an indispensable component for DNA synthesis during proliferation. Here we show that PCNA is subject to phosphorylation at the highly conserved tyrosine residue 114 (Y114). Replacing the Y114 residue with phenylalanine (Y114F), which is structurally similar to tyrosine but cannot be phosphorylated, does not affect normal animal development. However, when challenged with high fat diet, mice carrying homozygous Y114F alleles (PCNA{sup F/F}) are resistant to adipose tissue enlargement in comparison to wild-type (WT) mice. Mouse embryonic fibroblasts (MEFs) harboring WT or Y114F mutant PCNA proliferate at similar rates. However, when subjected to adipogenesis induction in culture, PCNA{sup F/F} MEFs are not able to re-enter the cell cycle and fail to form mature adipocytes, while WT MEFs undergo mitotic clonal expansion in response to the adipogenic stimulation, accompanied by enhanced Y114 phosphorylation of PCNA, and differentiate to mature adipocytes. Consistent with the function of Y114 phosphorylation in clonal proliferation in adipogenesis, fat tissues isolated from WT mice contain significantly more adipocytes than those isolated from PCNA{sup F/F} mice. This study identifies a critical role for PCNA in adipose tissue development, and for the first time identifies a role of the core DNA replication machinery at the interface between proliferation and differentiation.

  7. A sparse reconstruction method for the estimation of multi-resolution emission fields via atmospheric inversion

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

    Ray, J.; Lee, J.; Yadav, V.; Lefantzi, S.; Michalak, A. M.; van Bloemen Waanders, B.

    2015-04-29

    Atmospheric inversions are frequently used to estimate fluxes of atmospheric greenhouse gases (e.g., biospheric CO2 flux fields) at Earth's surface. These inversions typically assume that flux departures from a prior model are spatially smoothly varying, which are then modeled using a multi-variate Gaussian. When the field being estimated is spatially rough, multi-variate Gaussian models are difficult to construct and a wavelet-based field model may be more suitable. Unfortunately, such models are very high dimensional and are most conveniently used when the estimation method can simultaneously perform data-driven model simplification (removal of model parameters that cannot be reliably estimated) and fitting.more » Such sparse reconstruction methods are typically not used in atmospheric inversions. In this work, we devise a sparse reconstruction method, and illustrate it in an idealized atmospheric inversion problem for the estimation of fossil fuel CO2 (ffCO2) emissions in the lower 48 states of the USA. Our new method is based on stagewise orthogonal matching pursuit (StOMP), a method used to reconstruct compressively sensed images. Our adaptations bestow three properties to the sparse reconstruction procedure which are useful in atmospheric inversions. We have modified StOMP to incorporate prior information on the emission field being estimated and to enforce non-negativity on the estimated field. Finally, though based on wavelets, our method allows for the estimation of fields in non-rectangular geometries, e.g., emission fields inside geographical and political boundaries. Our idealized inversions use a recently developed multi-resolution (i.e., wavelet-based) random field model developed for ffCO2 emissions and synthetic observations of ffCO2 concentrations from a limited set of measurement sites. We find that our method for limiting the estimated field within an irregularly shaped region is about a factor of 10 faster than conventional approaches. It also reduces the overall computational cost by a factor of 2. Further, the sparse reconstruction scheme imposes non-negativity without introducing strong nonlinearities, such as those introduced by employing log-transformed fields, and thus reaps the benefits of simplicity and computational speed that are characteristic of linear inverse problems.« less

  8. Amorphous/crystalline silicon interface passivation: Ambient-temperature dependence and implications for solar cell performance

    SciTech Connect (OSTI)

    Seif, Johannes P.; Krishnamani, Gopal; Demaurex, Benedicte; Ballif, Christophe; Wolf, Stefaan De

    2015-03-02

    Silicon heterojunction (SHJ) solar cells feature amorphous silicon passivation films, which enable very high voltages. We report how such passivation increases with operating temperature for amorphous silicon stacks involving doped layers and decreases for intrinsic-layer-only passivation. We discuss the implications of this phenomenon on the solar cell's temperature coefficient, which represents an important figure-of-merit for the energy yield of devices deployed in the field. We show evidence that both open-circuit voltage (Voc) and fill factor (FF) are affected by these variations in passivation and quantify these temperature-mediated effects, compared with those expected from standard diode equations. We confirm that devices with high Voc values at 25C show better high-temperature performance. Thus, we also argue that the precise device architecture, such as the presence of charge-transport barriers, may affect the temperature-dependent device performance as well.

  9. Efficient Crystalline Si Solar Cell with Amorphous/Crystalline Silicon Heterojunction as Back Contact: Preprint

    SciTech Connect (OSTI)

    Nemeth, B.; Wang, Q.; Shan, W.

    2012-06-01

    We study an amorphous/crystalline silicon heterojunction (Si HJ) as a back contact in industrial standard p-type five-inch pseudo-square wafer to replace Al back surface field (BSF) contact. The best efficiency in this study is over 17% with open-circuit (Voc) of 0.623 V, which is very similar to the control cell with Al BSF. We found that Voc has not been improved with the heterojunction structure in the back. The typical minority carrier lifetime of these wafers is on the order of 10 us. We also found that the doping levels of p-layer affect the FF due to conductivity and band gap shifting, and an optimized layer is identified. We conclude that an amorphous/crystalline silicon heterojunction can be a very promising structure to replace Al BSF back contact.

  10. Reduced yield stress for zirconium exposed to iodine: Reactive force field simulation

    SciTech Connect (OSTI)

    Rossi, Matthew L.; Taylor, Christopher D.; van Duin, Adri C. T.

    2014-11-04

    Iodine-induced stress-corrosion cracking (ISCC), a known failure mode for nuclear fuel cladding, occurs when iodine generated during the irradiation of a nuclear fuel pellet escapes the pellet through diffusion or thermal cracking and chemically interacts with the inner surface of the clad material, inducing a subsequent effect on the cladding’s resistance to mechanical stress. To complement experimental investigations of ISCC, a reactive force field (ReaxFF) compatible with the Zr-I chemical and materials systems has been developed and applied to simulate the impact of iodine exposure on the mechanical strength of the material. The study shows that the material’s resistance to stress (as captured by the yield stress of a high-energy grain boundary) is related to the surface coverage of iodine, with the implication that ISCC is the result of adsorption-enhanced decohesion.

  11. PDSF User Meeting 03-04-14.pptx

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

    4 , 2 014 Lisa Gerhardt Utilization --- 2 --- Past Outages * 2/5/14 ( 10 - 1 1 p m): P roject o utage * 2/11/14: N ERSC s ystem w ide o utage * 2/21/14 ( 10 - 1 1 a m): L oad B alancer o utage Planned Outages * None Other Topics from PDSF Staff * New login nodes are online - Accessed v ia l oad b alancer a t pdsf.nersc.gov * Individual a ccess i s a vailable v ia p dsf6, p dsf7, p dsf8. H owever, i f y ou l og directly i nto a n ode, y ou m ay g et k icked o ff i n t he e vent o f m aintenance -

  12. PDSF User Meeting 06-02-15.pptx

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

    2 , 2 015 Lisa Gerhardt Utilization --- 2 --- Past Outages * 5/21/15 (12 hours): science gateways unavailable * 5/19/15 ( 6 h ours): L DAP i ssues, i ntermiFent l ogin failures Planned Outages * None Eliza Retirement * Only e liza3, e liza11, a nd e liza18 w ill c ome t o t he h ill * Remaining e lizas w ill b ecome r ead o nly o n A ugust 1 st a nd b e s hut o ff S eptember 3 0 th * Please s tart m oving y our d ata t o H PSS n ow!! Scientific Linux 7 Is On PDSF * Can a ccess w ith export C

  13. PDSF User Meeting 08-04-15.pptx

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

    4 , 2 015 Lisa Gerhardt Utilization --- 2 --- Past Outages * 7/9/15 (1 hour): eliza11 degraded * 7/10/15 (4 hours): eliza11 unavailable * 7/29/15 (2 hours): globus u navailable Planned Outages * None Eliza Retirement * Only e liza3, e liza11, a nd e liza18 w ill c ome t o t he h ill * Remaining e lizas a re r ead o nly a s o f t oday a nd w ill be s hut o ff S eptember 3 0 th * Please s tart m oving y our d ata t o H PSS n ow!! NERSC moves that may effect you * Global s cratch i s b eing r

  14. Three-Dimensional Groundwater Models of the 300 Area at the Hanford Site, Washington State

    SciTech Connect (OSTI)

    Williams, Mark D.; Rockhold, Mark L.; Thorne, Paul D.; Chen, Yousu

    2008-09-01

    Researchers at Pacific Northwest National Laboratory developed field-scale groundwater flow and transport simulations of the 300 Area to support the 300-FF-5 Operable Unit Phase III Feasibility Study. The 300 Area is located in the southeast portion of the U.S. Department of Energys Hanford Site in Washington State. Historical operations involving uranium fuel fabrication and research activities at the 300 Area have contaminated engineered liquid-waste disposal facilities, the underlying vadose zone, and the uppermost aquifer with uranium. The main objectives of this research were to develop numerical groundwater flow and transport models to help refine the site conceptual model, and to assist assessment of proposed alternative remediation technologies focused on the 300 Area uranium plume.

  15. STATE YJ#wIY STbNs

    Office of Legacy Management (LM)

    Pap lb. 26 12121167 6EmcFi 3, 1987 STATE YJ#wIY STbNs SlTEN4E . TLFrS CMEEE FfCoP~ MY IWICATE TMT THIS SITE DID ESEMUX TIE WE WILL HOT BE INULWJ IN Flmw. SITE IS uiwl LIENSE. SITE w ItMSTIGMED As R NJTRiTIk FWW SITE, Ho RRDI&iZTCV!N FOUWD. ELIHlNMION PWH w DWLETES 111 CYIWb, hu ww REEDM XTIW IS REWIW. tEVRE?ENT OF EXTRKTIOH OF UuwIUn t-KW Lx ANP bt&LYSIS a cm FM TtE bfc / N.E. RbD!ccoGIC.@L EQLTNLb6 k?T!W. LEbD U.S. PUBLIC KALTH mvrE nom LRNDFILL

  16. Molecular dynamics simulation of annealed ZnO surfaces

    SciTech Connect (OSTI)

    Min, Tjun Kit; Yoon, Tiem Leong; Lim, Thong Leng

    2015-04-24

    The effect of thermally annealing a slab of wurtzite ZnO, terminated by two surfaces, (0001) (which is oxygen-terminated) and (0001{sup ¯}) (which is Zn-terminated), is investigated via molecular dynamics simulation by using reactive force field (ReaxFF). We found that upon heating beyond a threshold temperature of ∼700 K, surface oxygen atoms begin to sublimate from the (0001) surface. The ratio of oxygen leaving the surface at a given temperature increases as the heating temperature increases. A range of phenomena occurring at the atomic level on the (0001) surface has also been explored, such as formation of oxygen dimers on the surface and evolution of partial charge distribution in the slab during the annealing process. It was found that the partial charge distribution as a function of the depth from the surface undergoes a qualitative change when the annealing temperature is above the threshold temperature.

  17. Amorphous/crystalline silicon interface passivation: Ambient-temperature dependence and implications for solar cell performance

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

    Seif, Johannes P.; Krishnamani, Gopal; Demaurex, Benedicte; Ballif, Christophe; Wolf, Stefaan De

    2015-03-02

    Silicon heterojunction (SHJ) solar cells feature amorphous silicon passivation films, which enable very high voltages. We report how such passivation increases with operating temperature for amorphous silicon stacks involving doped layers and decreases for intrinsic-layer-only passivation. We discuss the implications of this phenomenon on the solar cell's temperature coefficient, which represents an important figure-of-merit for the energy yield of devices deployed in the field. We show evidence that both open-circuit voltage (Voc) and fill factor (FF) are affected by these variations in passivation and quantify these temperature-mediated effects, compared with those expected from standard diode equations. We confirm that devicesmore » with high Voc values at 25°C show better high-temperature performance. Thus, we also argue that the precise device architecture, such as the presence of charge-transport barriers, may affect the temperature-dependent device performance as well.« less

  18. Research News January 2015, Issue 4

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

    Cathode Infiltration Improves Fuel Cell Performance page 3 the ENERGY lab NATIONAL ENERGY TECHNOLOGY LABORATORY From NETL's Office of Research & Development Researchnews April 2015, Issue 7 2 FE AT U RE ST O RY : C a th o d e In fi lt ra ti o n Im p ro v e F u e l C e ll P e rf o F ro m N E T L' s O ff ic e o f R e s e a rc h & D e v e lo p m e n t R e s e a r c h n e w s Ap ril 20 15 , Is su e 7 Contents April 2015, Issue 7 2 Editorial: NETL's In-House Research Competencies 3 Feature

  19. Research News January 2015, Issue 4

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

    NRAP: Making a Business Case for Geologic Carbon Storage page 2 the ENERGY lab NATIONAL ENERGY TECHNOLOGY LABORATORY From NETL's Office of Research & Development Researchnews March 2015, Issue 6 2 FE AT U RE ST O RY : N R A P : M a k in g a B u s in e s s C a s e fo r G e o lo g ic C a rb o n S to ra g e pa ge 2 F ro m N E T L' s O ff ic e o f R e s e a rc h & D e v e lo p m e n t R e s e a r c h n e w s M ar ch 20 15 , Is su e 6 Contents N ETL is the in-house research arm of the U.S.

  20. Research News July 2015, Issue 10

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

    Alloy Raises the Bar for High-Temperature Performance page 3 the ENERGY lab NATIONAL ENERGY TECHNOLOGY LABORATORY From NETL's Office of Research & Development Researchnews July 2015, Issue 10 FE AT U RE ST O RY : A ll o y R a is e s th e B a r fo r H ig h -T e m p e ra F ro m N E T L' s O ff ic e o f R e s e a rc h & D e v e lo p m e n t R e s e a r c h n e w s Ju ly 20 15 , Is su e 10 Contents July 2015, Issue 10 2 Editorial: NETL's Educational Programs 3 Feature Story: Alloy Raises the

  1. Silicon Heterojunction Solar Cells: Temperature Impact on Passivation and Performance

    SciTech Connect (OSTI)

    Seif, J.; Krishnamani, G.; Demaurex, B.; Martin de Nicholas, S.; Holm, N.; Ballif, C.; De Wolf, S.

    2015-03-23

    Photovoltaic devices deployed in the field can reach operation temperatures (T) as high as 90 °C [1]. Hence, their temperature coefficients (TC1) are of great practical importance as they determine their energy yield. In this study we concentrate on T-related lifetime variations of amorphous/crystalline interfaces and study their influence on the TCs of the individual solar cell parameters. We find that both the open-circuit voltage (Voc) and fill factor (FF) are influenced by these lifetime variations. However, this is only a minor effect compared to the dominant increase of the intrinsic carrier density and the related increase in dark saturation current density. Additionally, in this paper we will show that the TCVoc does not depend solely on the initial value of the Voc [2, 3], but that the structure of the device has to be considered as well.

  2. On the explanation and calculation of anomalous reflood hydrodynamics in large PWR cores

    SciTech Connect (OSTI)

    Rodriguez, S.E.

    1985-01-01

    Reflood hydrodynamics from large-scale (1:20) test facilities in Japan have yielded apparently anomalous behavior relative to FLECHT tests. Namely, even at reflooding rates below one inch per second, very large liquid volume fractions (10-15%) exist above the quench fronts shortly after flood begins; thus cladding temperature excursions are terminated early in the reflood phase. This paper discusses an explanation for this behavior: liquid films on the core's unheated rods. The experimental findings are shown to be correctly simulated with a new four-field (vapor, films, droplets) version of the best-estimate TRAC-PF1 computer code, TRAC-FF. These experimental and analytical findings have important implications for PWR large-break LOCA licensing.

  3. Recovery Act: Molecular Simulation of Dissolved Inorganic Carbons for Underground Brine CO2 Sequestration

    SciTech Connect (OSTI)

    Goddard, William

    2012-11-30

    To further our understanding and develop the method for measuring the DICs under geological sequestration conditions, we studied the infrared spectra of DICs under high pressure and temperature conditions. First principles simulations of DICs in brine conditions were performed using a highly optimized ReaxFF-DIC forcefield. The thermodynamics stability of each species were determined using the 2PT method, and shown to be consistent with the Reax simulations. More importantly, we have presented the IR spectra of DIC in real brine conditions as a function of temperature and pressure. At near earth conditions, we find a breaking of the O-C-O bending modes into asymmetric and symmetric modes, separated by 100cm{sup -1} at 400K and 5 GPa. These results can now be used to calibrate FTIR laser measurements.

  4. Singlet-triplet Hamiltonian for spin excitations in a Kondo insulator

    SciTech Connect (OSTI)

    Barabanov, A. F.; Maksimov, L. A.

    2010-08-15

    In the nonsymmetric version of the periodic Anderson model for a Kondo insulator, an effective singlet-triplet Hamiltonian H{sub s-t} with indirect antiferromagnetic f-f exchange is constructed, which makes it possible to analyze the dynamic magnetic susceptibility {chi}{sub f}(k, {omega}) of f electrons. Hamiltonian H{sub s-t} is used to describe the experimentally observed dispersion of the three-level spin excitation spectrum in YbB{sub 12}. A distinguishing feature of this analysis is the introduction of small-radius singlet and triplet collective f-d excitations that form low- and high-lying spin bands during motion over the lattice.

  5. Y.

    Office of Legacy Management (LM)

    ' .;-;< 14 ,I> ,,.. ~&.<,y---.--- * 1 .?_ _ 1 c ,-J ..^1, j ' ii ,; ! :I : j' / - \* !- v- e . . *' ' -y " Y. ;: -.-, yl-j ' " : -2 F*;f yTJ IEYi~i~~, , .- -.~,ir:.~l -. ( z;y;,y:' y:i;?; p;l,r.LI :JC p2lOs;ilCT:i ItIC, . I i<,;;j:e;f:I;:l::, lj,yf, *t .. -77 ,.I .Y- ,P ' ?,u ,. P' r' -' I i F1.2.9: -__ ;!,IY?.879 (a> s :-;A ' c:; :; ,;r,t cc "q q?J r>ci ' I SV. ($! . f ._- . ' 1 -.<- J&q-I-/ /I r -r.s.~a,.&~z~---..- CT -3 im ILJ J ' Y.2 ?I!-,- r;7

  6. Single Spin Asymmetries of Inclusive Hadrons Produced in Electron Scattering from a Transversely Polarized 3He Target

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

    Allada, Kalyan; Zhao, Yongxiang; Aniol, Konrad; Annand, John; Averett, Todd; Benmokhtar, Fatiha; Bertozzi, William; Bradshaw, Peter; Bosted, Peter; Camsonne, Alexandre; et al

    2014-04-01

    We report the first measurement of target single-spin asymmetries (AN) in the inclusive hadron production reaction, e + 3He??h+X, using a transversely polarized 3 He target. The experiment was conducted at Jefferson Lab in Hall A using a 5.9-GeV electron beam. Three types of hadrons (?, K and proton) were detected in the transverse hadron momentum range 0.54 T F for pions was -0.29 FF+ and K+. Amorenegative asymmetry is observed for ?. The magnitudes of the asymmetries follow |A? |? +|K +|. The K and proton asymmetries are consistent with zero within the experimental uncertainties. The ?+ and ? asymmetries measured for the 3He target and extracted for neutrons are opposite in sign with a small increase observed as a function of pT.less

  7. Slide 1

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

    Dana Bryson River Corridor Division Director and DDFO to the Hanford Advisory Board S a 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 the Ac tiv e Sit e Fo otp rin t of Cle an up to 75 Sq ua re Mi les (58 6 to 75 )  Sig nif ica ntl y Re du ce s Lo ng -Te rm Mo rtg ag e Co sts  At Co mp let ion , Sh ifts Em ph as is an d Re so urc es to Fu ll Sc ale Cle an up of the Ce ntr al Pla tea u (75 sq ua re mi les )  Re du ce s Co sts by

  8. Slide 1

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

    Jonathan A. Dowell DOE-RL Assistant Manager for River and Plateau S a 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 the Ac tiv e Sit e Fo otp rin t of Cle an up to 75 Sq ua re Mi les (58 6 to 75 )  Sig nif ica ntl y Re du ce s Lo ng -Te rm Mo rtg ag e Co sts  At Co mp let ion , Sh ifts Em ph as is an d Re so urc es to Fu ll Sc ale Cle an up of the Ce ntr al Pla tea u (75 sq ua re mi les )  Re du ce s Co sts by "R igh t Siz ing

  9. Development of EEM based siliconwater and silicawater wall potentials for non-reactive molecular dynamics simulations

    SciTech Connect (OSTI)

    Kim, Junghan; Iype, Eldhose; Frijns, Arjan J.H.; Nedea, Silvia V.; Steenhoven, Anton A. van

    2014-07-01

    Molecular dynamics simulations of heat transfer in gases are computationally expensive when the wall molecules are explicitly modeled. To save computational time, an implicit boundary function is often used. Steele's potential has been used in studies of fluidsolid interface for a long time. In this work, the conceptual idea of Steele's potential was extended in order to simulate watersilicon and watersilica interfaces. A new wall potential model is developed by using the electronegativity-equalization method (EEM), a ReaxFF empirical force field and a non-reactive molecular dynamics package PumMa. Contact angle simulations were performed in order to validate the wall potential model. Contact angle simulations with the resulting tabulated wall potentials gave a siliconwater contact angle of 129, a quartzwater contact angle of 0, and a cristobalitewater contact angle of 40, which are in reasonable agreement with experimental values.

  10. Treatability Test Plan for 300 Area Uranium Stabilization through Polyphosphate Injection

    SciTech Connect (OSTI)

    Vermeul, Vincent R.; Williams, Mark D.; Fritz, Brad G.; Mackley, Rob D.; Mendoza, Donaldo P.; Newcomer, Darrell R.; Rockhold, Mark L.; Williams, Bruce A.; Wellman, Dawn M.

    2007-06-01

    The U.S. Department of Energy has initiated a study into possible options for stabilizing uranium at the 300 Area using polyphosphate injection. As part of this effort, PNNL will perform bench- and field-scale treatability testing designed to evaluate the efficacy of using polyphosphate injections to reduced uranium concentrations in the groundwater to meet drinking water standards (30 ug/L) in situ. This technology works by forming phosphate minerals (autunite and apatite) in the aquifer that directly sequester the existing aqueous uranium in autunite minerals and precipitates apatite minerals for sorption and long term treatment of uranium migrating into the treatment zone, thus reducing current and future aqueous uranium concentrations. Polyphosphate injection was selected for testing based on technology screening as part of the 300-FF-5 Phase III Feasibility Study for treatment of uranium in the 300-Area.

  11. The CHPRC Groundwater and Technical Integration Support (Master Project) Quality Assurance Management Plan

    SciTech Connect (OSTI)

    Fix, N. J.

    2009-04-03

    The scope of the CH2M Hill Plateau Remediation Company, LLC (CHPRC) Groundwater and Technical Integration Support (Master Project) is for Pacific Northwest National Laboratory staff to provide technical and integration support to CHPRC. This work includes conducting investigations at the 300-FF-5 Operable Unit and other groundwater operable units, and providing strategic integration, technical integration and assessments, remediation decision support, and science and technology. The projects under this Master Project will be defined and included within the Master Project throughout the fiscal year, and will be incorporated into the Master Project Plan. This Quality Assurance Management Plan provides the quality assurance requirements and processes that will be followed by the CHPRC Groundwater and Technical Integration Support (Master Project) and all releases associated with the CHPRC Soil and Groundwater Remediation Project. The plan is designed to be used exclusively by project staff.

  12. Ab initio investigation of electronic and vibrational contributions to linear and nonlinear dielectric properties of ice

    SciTech Connect (OSTI)

    Casassa, S.; Baima, J.; Mahmoud, A.; Kirtman, B.

    2014-06-14

    Electronic and vibrational contributions to the static and dynamic (hyper)polarizability tensors of ice XI and model structures of ordinary hexagonal ice have been theoretically investigated. Calculations were carried out by the finite field nuclear relaxation method for periodic systems (FF-NR) recently implemented in the CRYSTAL code, using the coupled-perturbed Kohn-Sham approach (CPKS) for evaluating the required electronic properties. The effect of structure on the static electronic polarizabilities (dielectric constants) and second-hyperpolarizabilities is minimal. On the other hand, the vibrational contributions to the polarizabilities were found to be significant. A reliable evaluation of these (ionic) contributions allows one to discriminate amongst ice phases characterized by different degrees of proton-order, primarily through differences caused by librational motions. Transverse static and dynamic vibrational (hyper)polarizabilities were found by extrapolating calculations for slabs of increasing size, in order to eliminate substantial surface contributions.

  13. I

    Office of Legacy Management (LM)

    \ (l'- ( ~ 1 i 1 ,i D A T E /////y9 l3r.r~ G ? ? $ + . C o n tract N u m b e r This D o c u m e n t C o m i s t o f 1 2 3 P a g e s t T h :s is c o p y o f :$ a C l 2 e & x $ s n t& n g e d ta ..'l: -.,.t:, _ . :+ C '*.r b 'I dr, I y ..: /L . *I . . . t;y *a i .L ~ ..::..--r~ ;~ ..-c 2 7 . . . . . - L /x& c L .E - , I i::JL:[isd.re !,ff i.7 :*' --.--1---w-. -.I-- . . . . . ,,....,,.i--$ A T - 3 3 '-1 - c E N - 5 3 . b - = 8 "> L (;.-< M O U N D L A B O , R A T O R Y O p e

  14. Amorphous/crystalline silicon interface passivation: Ambient-temperature dependence and implications for solar cell performance

    SciTech Connect (OSTI)

    Seif, Johannes P.; Krishnamani, Gopal; Demaurex, Benedicte; Ballif, Christophe; Wolf, Stefaan De

    2015-03-02

    Silicon heterojunction (SHJ) solar cells feature amorphous silicon passivation films, which enable very high voltages. We report how such passivation increases with operating temperature for amorphous silicon stacks involving doped layers and decreases for intrinsic-layer-only passivation. We discuss the implications of this phenomenon on the solar cell's temperature coefficient, which represents an important figure-of-merit for the energy yield of devices deployed in the field. We show evidence that both open-circuit voltage (Voc) and fill factor (FF) are affected by these variations in passivation and quantify these temperature-mediated effects, compared with those expected from standard diode equations. We confirm that devices with high Voc values at 25°C show better high-temperature performance. Thus, we also argue that the precise device architecture, such as the presence of charge-transport barriers, may affect the temperature-dependent device performance as well.

  15. Optimizing Technology to Reduce Mercury and Acid Gas Emissions from Electric Power Plants

    SciTech Connect (OSTI)

    Jeffrey C. Quick; David E. Tabet; Sharon Wakefield; Roger L. Bon

    2005-01-31

    Revised maps and associated data show potential mercury, sulfur, and chlorine emissions for U.S. coal by county of origin. Existing coal mining and coal washing practices result in a 25% reduction of mercury in U.S. coal before it is delivered to the power plant. Selection of low-mercury coal is a good mercury control option for plants having hot-side ESP, cold-side ESP, or hot-side ESP/FGD emission controls. Chlorine content is more important for plants having cold-side ESP/FGD or SDA/FF controls; optimum net mercury capture is indicated where chlorine is between 500 and 1000 ppm. Selection of low-sulfur coal should improve mercury capture where carbon in fly ash is used to reduce mercury emissions.

  16. U

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

    9 7, U n c l a s s i f i e d - E'hysics D i s t r i b u t i o n - I- - R a d i a t i o n Laboratory UNCLAS S f Ff ED PROTON-PROTON SCRTTERIWG AT 105 KZV AlGI 75 U T . * Robert 1 . Birge**, Ulrich. 3. Kruse and Norman F. Ramsey Harvard U n i v e r s i t y , Cambridge, Massachusetts Januery 31, 1951 I . t *Assisted by t h e J o i n t Program of t h e ONR and t h e AEC. **Now a t t h e R a d i a t i o n Laboratory, U n i v e r s i t y of C a l i f o r n i a , Berkeley I . Berkeley, C a l i f o r n

  17. Reduced yield stress for zirconium exposed to iodine: Reactive force field simulation

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

    Rossi, Matthew L.; Taylor, Christopher D.; van Duin, Adri C. T.

    2014-11-04

    Iodine-induced stress-corrosion cracking (ISCC), a known failure mode for nuclear fuel cladding, occurs when iodine generated during the irradiation of a nuclear fuel pellet escapes the pellet through diffusion or thermal cracking and chemically interacts with the inner surface of the clad material, inducing a subsequent effect on the cladding’s resistance to mechanical stress. To complement experimental investigations of ISCC, a reactive force field (ReaxFF) compatible with the Zr-I chemical and materials systems has been developed and applied to simulate the impact of iodine exposure on the mechanical strength of the material. The study shows that the material’s resistance tomore » stress (as captured by the yield stress of a high-energy grain boundary) is related to the surface coverage of iodine, with the implication that ISCC is the result of adsorption-enhanced decohesion.« less

  18. AllEHDMetfl' Of' SOllCITATIONJMCIDIFICATION 01' CONTRACT

    National Nuclear Security Administration (NNSA)

    AllEHDMetfl' Of' SOllCITATIONJMCIDIFICATION 01' CONTRACT 11. CONTRACT DCOOI! 1- Of PAOE8 i I s4 2 AllENOMENTIMOOll'ICATICN NO. 3 EFnelMi DAT£ 4 Al!OUISll~REO NO r ~QJECT NO. (I.,,,,,...,, 0084 09/J0/2014 6.lllU£08Y CClDI! 05004 7. ADMHSTEN:O BY f/f_,_...,., CODE I NNSA/Kansas City Site O[fico U.S. Dopartment of Enarqy NNSA/Kansas City SJ.te Office P.O. BOK 410202 Kansas City MO 6414l*0202 8. N.w& ANDADDA&SI OF CONTRACTOR,_ ,-......,.. --ZIPOodol ~ M. AMENDMENT OF SOUCITATIOH NO.

  19. A Study of the Stability and Characterization Plutonium Dioxide and Chemical Characterization [of] Rocky Flats and Los Alamos Plutonium-Containing Incinerator Ash

    SciTech Connect (OSTI)

    Ray, A.K.; Boettger, J.C.; Behrens, Robert G.

    1999-11-29

    In the presentation ''A Study of the Stability and Characterization of Plutonium Dioxide'', the authors discuss their recent work on actinide stabilities and characterization, in particular, plutonium dioxide PuO{sub 2}. Earlier studies have indicated that PuO{sub 2} has the fluorite structure of CaF{sub 2} and typical oxide semiconductor properties. However, detailed results on the bulk electronic structure of this important actinide oxide have not been available. The authors have used all-electron, full potential linear combinations Gaussian type orbitals fitting function (LCGTO-FF) method to study PuO{sub 2}. The LCGTO-FF technique characterized by its use of three independent GTO basis sets to expand the orbitals, charge density, and exchange-correlation integral kernels. Results will be presented on zero pressure using both the Hedin-Lundquist local density approximation (LDA) model or the Perdew-Wang generalized gradient approximation (GGA) model. Possibilities of different characterizations of PuO{sub 2} will be explored. The paper ''Chemical Characterization Rocky Flats and Los Alamos Plutonium-Containing Incinerator Ash'' describes the results of a comprehensive study of the chemical characteristics of virgin, calcined and fluorinated incinerator ash produced at the Rocky Flats Plant and at the Los Alamos National Laboratory prior to 1988. The Rocky Flats and Los Alamos virgin, calcined, and fluorinated ashes were also dissolved using standard nitrate dissolution chemistry. Corresponding chemical evaluations were preformed on the resultant ash heel and the results compared with those of the virgin ash. Fluorination studies using FT spectroscopy as a diagnostic tool were also performed to evaluate the chemistry of phosphorus, sulfur, carbon, and silicon containing species in the ash. The distribution of plutonium and other chemical elements with the virgin ash, ash heel, fluorinated ash, and fluorinated ash heel particulates were studied in detail using microprobe analysis. Some of the more interesting results of these investigations are presented.

  20. Precision Measurement of the proton neutral weak form factors at Q{sup 2} ~ 0.1 GeV{sup 2}

    SciTech Connect (OSTI)

    Lisa Kaufman

    2007-02-01

    This thesis reports the HAPPEX measurement of the parity-violating asymmetry for longitudinally polarized electrons elastically scattered from protons in a liquid hydrogen target. The measurement was carried out in Hall A at Thomas Jefferson National Accelerator Facility using a beam energy E = 3 GeV and scattering angle <θ{sub lab}> = 6◦. The asymmetry is sensitive to the weak neutral form factors from which we extract the strange quark electric and magnetic form factors (G{sup s}{sub E} and G{sup s}{sub M}) of the proton. The measurement was conducted during two data-taking periods in 2004 and 2005. This thesis describes the methods for controlling the helicity-correlated beam asymmetries and the analysis of the raw asymmetry. The parity-violating asymmetry has been measured to be A{sub PV} = −1.14± 0.24 (stat)±0.06 (syst) ppm at = 0.099 GeV{sup 2} (2004), and A{sub PV} = −1.58±0.12 (stat)±0.04 (syst) ppm at = 0.109 GeV{sup 2} (2005). The strange quark form factors extracted from the asymmetry are G{sup s}{sub E} + 0.080G{sup s}{sub M} = 0.030 ± 0.025 (stat) ± 0.006 (syst) ± 0.012 (FF) (2004) and G{sup s}{sub E} +0.088G{sup s}{sub M} = 0.007±0.011 (stat)±0.004 (syst)±0.005 (FF) (2005). These results place the most precise constraints on the strange quark form factors and indicate little strange dynamics in the proton.

  1. A sparse reconstruction method for the estimation of multiresolution emission fields via atmospheric inversion

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

    Ray, J.; Lee, J.; Yadav, V.; Lefantzi, S.; Michalak, A. M.; van Bloemen Waanders, B.

    2014-08-20

    We present a sparse reconstruction scheme that can also be used to ensure non-negativity when fitting wavelet-based random field models to limited observations in non-rectangular geometries. The method is relevant when multiresolution fields are estimated using linear inverse problems. Examples include the estimation of emission fields for many anthropogenic pollutants using atmospheric inversion or hydraulic conductivity in aquifers from flow measurements. The scheme is based on three new developments. Firstly, we extend an existing sparse reconstruction method, Stagewise Orthogonal Matching Pursuit (StOMP), to incorporate prior information on the target field. Secondly, we develop an iterative method that uses StOMP tomore » impose non-negativity on the estimated field. Finally, we devise a method, based on compressive sensing, to limit the estimated field within an irregularly shaped domain. We demonstrate the method on the estimation of fossil-fuel CO2 (ffCO2) emissions in the lower 48 states of the US. The application uses a recently developed multiresolution random field model and synthetic observations of ffCO2 concentrations from a limited set of measurement sites. We find that our method for limiting the estimated field within an irregularly shaped region is about a factor of 10 faster than conventional approaches. It also reduces the overall computational cost by a factor of two. Further, the sparse reconstruction scheme imposes non-negativity without introducing strong nonlinearities, such as those introduced by employing log-transformed fields, and thus reaps the benefits of simplicity and computational speed that are characteristic of linear inverse problems.« less

  2. Observations on vapor pressure in SPR caverns : sources.

    SciTech Connect (OSTI)

    Munson, Darrell Eugene

    2010-05-01

    The oil of the Strategic Petroleum Reserve (SPR) represents a national response to any potential emergency or intentional restriction of crude oil supply to this country, and conforms to International Agreements to maintain such a reserve. As assurance this reserve oil will be available in a timely manner should a restriction in supply occur, the oil of the reserve must meet certain transportation criteria. The transportation criteria require that the oil does not evolve dangerous gas, either explosive or toxic, while in the process of transport to, or storage at, the destination facility. This requirement can be a challenge because the stored oil can acquire dissolved gases while in the SPR. There have been a series of reports analyzing in exceptional detail the reasons for the increases, or regains, in gas content; however, there remains some uncertainty in these explanations and an inability to predict why the regains occur. Where the regains are prohibitive and exceed the criteria, the oil must undergo degasification, where excess portions of the volatile gas are removed. There are only two known sources of gas regain, one is the salt dome formation itself which may contain gas inclusions from which gas can be released during oil processing or storage, and the second is increases of the gases release by the volatile components of the crude oil itself during storage, especially if the stored oil undergoes heating or is subject to biological generation processes. In this work, the earlier analyses are reexamined and significant alterations in conclusions are proposed. The alterations are based on how the fluid exchanges of brine and oil uptake gas released from domal salt during solutioning, and thereafter, during further exchanges of fluids. Transparency of the brine/oil interface and the transfer of gas across this interface remains an important unanswered question. The contribution from creep induced damage releasing gas from the salt surrounding the cavern is considered through computations using the Multimechanism Deformation Coupled Fracture (MDCF) model, suggesting a relative minor, but potentially significant, contribution to the regain process. Apparently, gains in gas content can be generated from the oil itself during storage because the salt dome has been heated by the geothermal gradient of the earth. The heated domal salt transfers heat to the oil stored in the caverns and thereby increases the gas released by the volatile components and raises the boiling point pressure of the oil. The process is essentially a variation on the fractionation of oil, where each of the discrete components of the oil have a discrete temperature range over which that component can be volatized and removed from the remaining components. The most volatile components are methane and ethane, the shortest chain hydrocarbons. Since this fractionation is a fundamental aspect of oil behavior, the volatile component can be removed by degassing, potentially prohibiting the evolution of gas at or below the temperature of the degas process. While this process is well understood, the ability to describe the results of degassing and subsequent regain is not. Trends are not well defined for original gas content, regain, and prescribed effects of degassing. As a result, prediction of cavern response is difficult. As a consequence of this current analysis, it is suggested that solutioning brine of the final fluid exchange of a just completed cavern, immediately prior to the first oil filling, should be analyzed for gas content using existing analysis techniques. This would add important information and clarification to the regain process. It is also proposed that the quantity of volatile components, such as methane, be determined before and after any degasification operation.

  3. Driving Down HB-LED Costs. Implementation of Process Simulation Tools and Temperature Control Methods of High Yield MOCVD Growth

    SciTech Connect (OSTI)

    Quinn, William

    2012-04-30

    The overall objective of this multi-faceted program is to develop epitaxial growth systems that meet a goal of 75% (4X) cost reduction in the epitaxy phase of HB-LED manufacture. A 75% reduction in yielded epitaxy cost is necessary in order to achieve the cost goals for widespread penetration of HB-LED's into back-lighting units (BLU) for LCD panels and ultimately for solid-state lighting (SSL). To do this, the program will address significant improvements in overall equipment Cost of Ownership, or CoO. CoO is a model that includes all costs associated with the epitaxy portion of production. These aspects include cost of yield, capital cost, operational costs, and maintenance costs. We divide the program into three phases where later phases will incorporate the gains of prior phases. Phase one activities are enabling technologies. In collaboration with Sandia National Laboratories we develop a Fluent-compatible chemistry predictive model and a set of mid-infrared and near-ultraviolet pyrometer monitoring tools. Where previously the modeling of the reactor dynamics were studied within FLUENT alone, here, FLUENT and Chemkin are integrated into a comprehensive model of fluid dynamics and the most advanced transport equations developed for Chemkin. Specifically, the Chemkin model offered the key reaction terms for gas-phase nucleation, a key consideration in the optimization of the MOCVD process. This new predictive model is used to design new MOCVD reactors with optimized growth conditions and the newly developed pyrometers are used monitor and control the MOCVD process temperature to within 0.5°C run-to-run and within each wafer. This portion of the grant is in collaboration with partners at Sandia National Laboratories. Phase two activities are continuous improvement projects which extend the current reactor platform along the lines of improved operational efficiency, improved systems control for throughput, and carrier modifications for increased yield. Programmatically, improvements made in Phase I are applied to developments of Phase II when applicable. Phase three is the culmination of the individual tasks from both phases one and two applied to proposed production platforms. We selectively combine previously demonstrated tasks and other options to develop a high-volume production-worthy MOCVD system demonstrating >3x throughput, 1.3x capital efficiency, and 0.7x cost of ownership. In a parallel demonstration we validate the concept of an improved, larger deposition system which utilizes the predictive modeling of chemistry-based flow analysis and extensions of the improvements demonstrated on the current platforms. This validation includes the build and testing of a prototype version of the hardware and demonstration of 69% reduction in the cost of ownership. Also, in this phase we present a stand-alone project to develop a high-temperature system which improves source efficiency by 30% while concurrently increasing growth rate by 1.3x. The material quality is held to the same material quality specifications of our existing baseline processes. The merits of other line item tasks in phase three are discussed for inclusion on next-generation platforms.

  4. Polycrystalline thin film cadmium telluride solar cells fabricated by electrodeposition. Annual technical report, 20 March 1995--19 March 1996

    SciTech Connect (OSTI)

    Trefny, J.U.; Mao, D.

    1997-04-01

    The objective of this project is to develop improved processes for fabricating CdTe/CdS polycrystalline thin-film solar cells. Researchers used electrodeposition to form CdTe; electrodeposition is a non-vacuum, low-cost technique that is attractive for economic, large-scale production. During the past year, research and development efforts focused on several steps that are most critical to the fabricating high-efficiency CdTe solar cells. These include the optimization of the CdTe electrodeposition process, the effect of pretreatment of CdS substrates, the post-deposition annealing of CdTe, and back-contact formation using Cu-doped ZnTe. Systematic investigations of these processing steps have led to a better understanding and improved performance of the CdTe-based cells. Researchers studied the structural properties of chemical-bath-deposited CdS thin films and their growth mechanisms by investigating CdS samples prepared at different deposition times; investigated the effect of CdCl{sub 2} treatment of CdS films on the photovoltaic performance of CdTe solar cells; studied Cu-doped ZnTe as a promising material for forming stable, low-resistance contacts to the p-type CdTe; and investigated the effect of CdTe and CdS thickness on the photovoltaic performance of the resulting cells. As a result of their systematic investigation and optimization of the processing conditions, researchers improved the efficiency of CdTe/CdS cells using ZnTe back-contact and electrodeposited CdTe. The best CdTe/CdS cell exhibited a V{sub oc} of 0.778 V, a J{sub sc} of 22.4 mA/cm{sup 2}, a FF of 74%, and an efficiency of 12.9% (verified at NREL). In terms of individual parameters, researchers obtained a V{sub oc} over 0.8 V and a FF of 76% on other cells.

  5. In-situ gamma-ray assay of the east cell line in the 235-F Plutonium fuel form facility

    SciTech Connect (OSTI)

    Diprete, D.

    2015-08-21

    On September 17th -19th , 2013, scientists from SRNL took a series of in-situ gamma-ray measurements in the maintenance trench beneath Cells 1-5 on the east line of the PuFF facility using a well-collimated, high-purity germanium detector. The cell interiors were assayed along with the furnaces and storage coolers that protrude beneath the cells. The detector efficiency was estimated using a combination of MCNP simulations and empirical measurements. Data analysis was performed using three gamma-rays emitted by Pu-238 (99.85 keV, 152.7 keV, and 766.4 keV) providing three independent estimates of the mass of Pu-238 holdup in each of the cells. The weighted mean of these three results was used as the best estimate of Pu-238 holdup in the East Cell Line of PuFF. The results of the assay measurements are found in the table on the following page along with the results from the scoping assay performed in 2006. All uncertainties in this table (as well as the rest of the report) are reported at 1σ. Summing the assay results and treating MDAs as M238Pu= 0 ± MDA, the total holdup in the East Cell Line was 240 ± 40 grams. This result is 100 grams lower than the previous estimate, a 0.55σ difference. The uncertainty in the Pu-238 holdup is also reduced substantially relative to the 2006 scoping assay. However, the current assay results are in agreement with the 2006 scoping assay results due to the large uncertainty associated with the 2006 scoping assays. The current assay results support the conclusion that the 2006 results bound the Pu-238 mass in Cells 1-5. These results should be considered preliminary since additional measurements of the East Cell line are scheduled for 2017 and 2018. Those measurements will provide detailed information about the distribution of Pu-238 in the cells to be used to refine the results of the current assay.

  6. High efficiency thin film CdTe and a-Si based solar cells

    SciTech Connect (OSTI)

    Compaan, A. D.; Deng, X.; Bohn, R. G.

    2000-01-04

    This report describes work done by the University of Toledo during the first year of this subcontract. During this time, the CdTe group constructed a second dual magnetron sputter deposition facility; optimized reactive sputtering for ZnTe:N films to achieve 10 ohm-cm resistivity and {approximately}9% efficiency cells with a copper-free ZnTe:N/Ni contact; identified Cu-related photoluminescence features and studied their correlation with cell performance including their dependence on temperature and E-fields; studied band-tail absorption in CdS{sub x}Te{sub 1{minus}x} films at 10 K and 300 K; collaborated with the National CdTe PV Team on (1) studies of high-resistivity tin oxide (HRT) layers from ITN Energy Systems, (2) fabrication of cells on the HRT layers with 0, 300, and 800-nm CdS, and (3) preparation of ZnTe:N-based contacts on First Solar materials for stress testing; and collaborated with Brooklyn College for ellipsometry studies of CdS{sub x}Te{sub 1{minus}x} alloy films, and with the University of Buffalo/Brookhaven NSLS for synchrotron X-ray fluorescence studies of interdiffusion in CdS/CdTe bilayers. The a-Si group established a baseline for fabricating a-Si-based solar cells with single, tandem, and triple-junction structures; fabricated a-Si/a-SiGe/a-SiGe triple-junction solar cells with an initial efficiency of 9.7% during the second quarter, and 10.6% during the fourth quarter (after 1166 hours of light-soaking under 1-sun light intensity at 50 C, the 10.6% solar cells stabilized at about 9%); fabricated wide-bandgap a-Si top cells, the highest Voc achieved for the single-junction top cell was 1.02 V, and top cells with high FF (up to 74%) were fabricated routinely; fabricated high-quality narrow-bandgap a-SiGe solar cells with 8.3% efficiency; found that bandgap-graded buffer layers improve the performance (Voc and FF) of the narrow-bandgap a-SiGe bottom cells; and found that a small amount of oxygen partial pressure ({approximately}2 {times} 10{sup {minus}5} torr) was beneficial for growing high-quality films from ITO targets.

  7. OPTIMIZING TECHNOLOGY TO REDUCE MERCURY AND ACID GAS EMISSIONS FROM ELECTRIC POWER PLANTS

    SciTech Connect (OSTI)

    Jeffrey C. Quick; David E. Tabet; Sharon Wakefield; Roger L. Bon

    2005-10-01

    Maps showing potential mercury, sulfur, chlorine, and moisture emissions for U.S. coal by county of origin were made from publicly available data (plates 1, 2, 3, and 4). Published equations that predict mercury capture by emission control technologies used at U.S. coal-fired utilities were applied to average coal quality values for 169 U.S. counties. The results were used to create five maps that show the influence of coal origin on mercury emissions from utility units with: (1) hot-side electrostatic precipitator (hESP), (2) cold-side electrostatic precipitator (cESP), (3) hot-side electrostatic precipitator with wet flue gas desulfurization (hESP/FGD), (4) cold-side electrostatic precipitator with wet flue gas desulfurization (cESP/FGD), and (5) spray-dry adsorption with fabric filter (SDA/FF) emission controls (plates 5, 6, 7, 8, and 9). Net (lower) coal heating values were calculated from measured coal Btu values, and estimated coal moisture and hydrogen values; the net heating values were used to derive mercury emission rates on an electric output basis (plate 10). Results indicate that selection of low-mercury coal is a good mercury control option for plants having hESP, cESP, or hESP/FGD emission controls. Chlorine content is more important for plants having cESP/FGD or SDA/FF controls; optimum mercury capture is indicated where chlorine is between 500 and 1000 ppm. Selection of low-sulfur coal should improve mercury capture where carbon in fly ash is used to reduce mercury emissions. Comparison of in-ground coal quality with the quality of commercially mined coal indicates that existing coal mining and coal washing practice results in a 25% reduction of mercury in U.S. coal before it is delivered to the power plant. Further pre-combustion mercury reductions may be possible, especially for coal from Texas, Ohio, parts of Pennsylvania and much of the western U.S.

  8. Three-Dimensional Electromagnetic High Frequency Axisymmetric Cavity Scars.

    SciTech Connect (OSTI)

    Warne, Larry K.; Jorgenson, Roy E.

    2014-10-01

    This report examines the localization of high frequency electromagnetic fi elds in three-dimensional axisymmetric cavities along periodic paths between opposing sides of the cavity. The cases where these orbits lead to unstable localized modes are known as scars. This report treats both the case where the opposing sides, or mirrors, are convex, where there are no interior foci, and the case where they are concave, leading to interior foci. The scalar problem is treated fi rst but the approximations required to treat the vector fi eld components are also examined. Particular att ention is focused on the normalization through the electromagnetic energy theorem. Both projections of the fi eld along the scarred orbit as well as point statistics are examined. Statistical comparisons are m ade with a numerical calculation of the scars run with an axisymmetric simulation. This axisymmetric cas eformstheoppositeextreme(wherethetwomirror radii at each end of the ray orbit are equal) from the two -dimensional solution examined previously (where one mirror radius is vastly di ff erent from the other). The enhancement of the fi eldontheorbitaxiscanbe larger here than in the two-dimensional case. Intentionally Left Blank

  9. Controllable atomistic graphene oxide model and its application in hydrogen sulfide removal

    SciTech Connect (OSTI)

    Huang, Liangliang; Gubbins, Keith E., E-mail: keg@ncsu.edu [Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Seredych, Mykola; Bandosz, Teresa J. [Department of Chemistry, The City College of New York and the Graduate School of the City University of New York, New York 10031 (United States)] [Department of Chemistry, The City College of New York and the Graduate School of the City University of New York, New York 10031 (United States); Duin, Adri C. T. van [Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, Pennsylvania 16801 (United States)] [Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, Pennsylvania 16801 (United States); Lu, Xiaohua [State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing University of Technology, Nanjing 210009 (China)] [State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing University of Technology, Nanjing 210009 (China)

    2013-11-21

    The determination of an atomistic graphene oxide (GO) model has been challenging due to the structural dependence on different synthesis methods. In this work we combine temperature-programmed molecular dynamics simulation techniques and the ReaxFF reactive force field to generate realistic atomistic GO structures. By grafting a mixture of epoxy and hydroxyl groups to the basal graphene surface and fine-tuning their initial concentrations, we produce in a controllable manner the GO structures with different functional groups and defects. The models agree with structural experimental data and with other ab initio quantum calculations. Using the generated atomistic models, we perform reactive adsorption calculations for H{sub 2}S and H{sub 2}O/H{sub 2}S mixtures on GO materials and compare the results with experiment. We find that H{sub 2}S molecules dissociate on the carbonyl functional groups, and H{sub 2}O, CO{sub 2}, and CO molecules are released as reaction products from the GO surface. The calculation reveals that for the H{sub 2}O/H{sub 2}S mixtures, H{sub 2}O molecules are preferentially adsorbed to the carbonyl sites and block the potential active sites for H{sub 2}S decomposition. The calculation agrees well with the experiments. The methodology and the procedure applied in this work open a new door to the theoretical studies of GO and can be extended to the research on other amorphous materials.

  10. Facile method for synthesis of TiO{sub 2} film and its application in high efficiency dye sensitized-solar cell (DSSC)

    SciTech Connect (OSTI)

    Widiyandari, Hendri Gunawan, S. K.V.; Suseno, Jatmiko Endro; Purwanto, Agus; Diharjo, Kuncoro

    2014-02-24

    Dye-sensitized solar cells (DSSC) is a device which converts a solar energy to electrical energy. Different with semiconductor thin film based solar cell, DSSC utilize the sensitized-dye to absorb the photon and semiconductor such as titanium dioxide (TiO{sub 2}) and zinc oxide (ZnO) as a working electrode photoanode. In this report, the preparation of TiO{sub 2} film using a facile method of spray deposition and its application in DSSC have been presented. TiO{sub 2} photoanode was synthesized by growing the droplet of titanium tetraisopropoxide diluted in acid solution on the substrate of conductive glass flourine-doped tin oxide (FTO) with variation of precursor volume. DSSC was assemblied by sandwiching both of photoanode electrode and platinum counter electrode subsequently filling the area between these electrodes with triodine/iodine electrolite solution as redox pairs. The characterization of the as prepared DSSC using solar simulator (AM 1.5G, 100 mW/cm{sup 2}) and I-V source meter Keithley 2400 showed that the performance of DSSC was affected by the precursor volume.. The overall conversion efficiency of DSSC using the optimum TiO{sub 2} film was about 1.97% with the open circuit voltage (V{sub oc}) of 0.73 V, short circuit current density (J{sub sc}) of 4.61 mA and fill factor (FF) of 0.58.

  11. New Precision Limit on the Strange Vector Form Factors of the Proton

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

    Ahmed, Z.; Allada, K.; Aniol, K. A.; Armstrong, D. S.; Arrington, J.; Baturin, P.; Bellini, V.; Benesch, J.; Beminiwattha, R.; Benmokhtar, F.; et al

    2012-03-01

    The parity-violating cross-section asymmetry in the elastic scattering of polarized electrons from unpolarized protons has been measured at a four-momentum transfer squared Q2 = 0.624 GeV2 and beam energy Eb = 3.48 GeV to be APV = -23.80 ± 0.78 (stat) ± 0.36 (syst) parts per million. This result is consistent with zero contribution of strange quarks to the combination of electric and magnetic form factors GEs + 0.517 GMs = 0.003 ± 0.010 (stat) ± 0.004 (syst) ± 0.009 (ff), where the third error is due to the limits of precision on the electromagnetic form factors and radiative corrections.more » With this measurement, the world data on strange contributions to nucleon form factors are seen to be consistent with zero and not more than a few percent of the proton form factors.« less

  12. Updated Conceptual Model for the 300 Area Uranium Groundwater Plume

    SciTech Connect (OSTI)

    Zachara, John M.; Freshley, Mark D.; Last, George V.; Peterson, Robert E.; Bjornstad, Bruce N.

    2012-11-01

    The 300 Area uranium groundwater plume in the 300-FF-5 Operable Unit is residual from past discharge of nuclear fuel fabrication wastes to a number of liquid (and solid) disposal sites. The source zones in the disposal sites were remediated by excavation and backfilled to grade, but sorbed uranium remains in deeper, unexcavated vadose zone sediments. In spite of source term removal, the groundwater plume has shown remarkable persistence, with concentrations exceeding the drinking water standard over an area of approximately 1 km2. The plume resides within a coupled vadose zone, groundwater, river zone system of immense complexity and scale. Interactions between geologic structure, the hydrologic system driven by the Columbia River, groundwater-river exchange points, and the geochemistry of uranium contribute to persistence of the plume. The U.S. Department of Energy (DOE) recently completed a Remedial Investigation/Feasibility Study (RI/FS) to document characterization of the 300 Area uranium plume and plan for beginning to implement proposed remedial actions. As part of the RI/FS document, a conceptual model was developed that integrates knowledge of the hydrogeologic and geochemical properties of the 300 Area and controlling processes to yield an understanding of how the system behaves and the variables that control it. Recent results from the Hanford Integrated Field Research Challenge site and the Subsurface Biogeochemistry Scientific Focus Area Project funded by the DOE Office of Science were used to update the conceptual model and provide an assessment of key factors controlling plume persistence.

  13. BandelierDirections2011

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

    a r k i n g M E R G E T o T o w n s it e D ia m o n d D ri v e To Sa n ta Fe T o J e m e z M ts . Co mm ut er Bu s Dr op Of f P a r k i n g M E R G E M E R G E T o T o w n s i t e D i a m o n d D r i v e T o J e m e z M t s . C o m m u t e r B u s D r o p O ff 4 To Valles Caldera National Preserve (12 miles), Jemez Springs (33 miles), and Albuquerque (88 miles) To Bandelier National Monument and White Rock DIRECTIONS TO BANDELIER 502 To Pajarito Ski Hill E A S T J E M E Z R O A D ( A L T E R N A

  14. R and D in France and in Western Europe

    SciTech Connect (OSTI)

    Bastin, A.J.F. )

    1991-06-01

    This paper deals with worldwide electric utility R and D, but focuses on France first, and not on Western Europe as a whole. Apart from the fact that the R and D of European utilities hardly show a homogeneous set, there are four basic reasons. To begin with, France represents roughly 20 percent of Western Europe by itself. Germany, now extended to the late DDR, is the only country to have a larger share. Second, Electricite de France (EDF) is the largest electric utility worldwide, with annual sales of about 410 TWh. Third, EDF has consistently shown one of the lowest electricity prices: as an average .44 FF par kWh (about $.08 per kWh) which comes up on comparing the 410 TWh sales with a 165 GFF turnover. Beyond these three points, which are more or less permanent, it appears that both EDF and its R and D division have been stable over the last three years. So the French power system is the largest subsystem in Western Europe where a single well-defined R and D policy can be described and assessed; this is what the authors are going to do now.

  15. Equations of state of anhydrous AlF{sub 3} and AlI{sub 3}: Modeling of extreme condition halide chemistry

    SciTech Connect (OSTI)

    Stavrou, Elissaios; Zaug, Joseph M. Bastea, Sorin; Crowhurst, Jonathan C.; Radousky, Harry B.; Armstrong, Michael R.; Roberts, Sarah K.; Plaue, Jonathan W.; Goncharov, Alexander F.

    2015-06-07

    Pressure dependent angle-dispersive x-ray powder diffraction measurements of alpha-phase aluminum trifluoride (?-AlF{sub 3}) and separately, aluminum triiodide (AlI{sub 3}) were conducted using a diamond-anvil cell. Results at 295 K extend to 50 GPa. The equations of state of AlF{sub 3} and AlI{sub 3} were determined through refinements of collected x-ray diffraction patterns. The respective bulk moduli and corresponding pressure derivatives are reported for multiple orders of the Birch-Murnaghan (B-M), finite-strain (F-f), and higher pressure finite-strain (G-g) EOS analysis models. Aluminum trifluoride exhibits an apparent isostructural phase transition at approximately 12 GPa. Aluminum triiodide also undergoes a second-order atomic rearrangement: applied stress transformed a monoclinically distorted face centered cubic (fcc) structure into a standard fcc structural arrangement of iodine atoms. Results from semi-empirical thermochemical computations of energetic materials formulated with fluorine containing reactants were obtained with the aim of predicting the yield of halogenated products.

  16. The 300 Area Integrated Field Research Challenge Quality Assurance Project Plan

    SciTech Connect (OSTI)

    Fix, N. J.

    2009-04-29

    Pacific Northwest National Laboratory and a group of expert collaborators are using the U.S. Department of Energy Hanford Site 300 Area uranium plume within the footprint of the 300-FF-5 groundwater operable unit as a site for an Integrated Field-Scale Subsurface Research Challenge (IFRC). The IFRC is entitled Multi-Scale Mass Transfer Processes Controlling Natural Attenuation and Engineered Remediation: An IFRC Focused on the Hanford Site 300 Area Uranium Plume Project. The theme is investigation of multi-scale mass transfer processes. A series of forefront science questions on mass transfer are posed for research that relate to the effect of spatial heterogeneities; the importance of scale; coupled interactions between biogeochemical, hydrologic, and mass transfer processes; and measurements/approaches needed to characterize and model a mass transfer-dominated system. This Quality Assurance Project Plan provides the quality assurance requirements and processes that will be followed by the 300 Area IFRC Project. This plan is designed to be used exclusively by project staff.

  17. The Multi-Scale Mass Transfer Processes Controlling Natural Attenuation and Engineered Remediation: An IFC Focused on Hanfords 300 Area Uranium Plume Quality Assurance Project Plan

    SciTech Connect (OSTI)

    Fix, N. J.

    2008-01-31

    The purpose of the project is to conduct research at an Integrated Field-Scale Research Challenge Site in the Hanford Site 300 Area, CERCLA OU 300-FF-5 (Figure 1), to investigate multi-scale mass transfer processes associated with a subsurface uranium plume impacting both the vadose zone and groundwater. The project will investigate a series of science questions posed for research related to the effect of spatial heterogeneities, the importance of scale, coupled interactions between biogeochemical, hydrologic, and mass transfer processes, and measurements/approaches needed to characterize a mass-transfer dominated system. The research will be conducted by evaluating three (3) different hypotheses focused on multi-scale mass transfer processes in the vadose zone and groundwater, their influence on field-scale U(VI) biogeochemistry and transport, and their implications to natural systems and remediation. The project also includes goals to 1) provide relevant materials and field experimental opportunities for other ERSD researchers and 2) generate a lasting, accessible, and high-quality field experimental database that can be used by the scientific community for testing and validation of new conceptual and numerical models of subsurface reactive transport.

  18. SUPER-B LATTICE STUDIES

    SciTech Connect (OSTI)

    Biagini, M.E.; Raimondi, P.; Piminov, P.; Sinyatkin, S.; Nosochkov, Y.; Wittmer, W.; /SLAC

    2010-08-25

    The SuperB asymmetric e{sup +}e{sup -} collider is designed for 10{sup 36} cm{sup -2} s{sup -1} luminosity and beam energies of 6.7 and 4.18 GeV for e{sup +} and e{sup -} respectively. The High and Low Energy Rings (HER and LER) have one Interaction Point (IP) with 66 mrad crossing angle. The 1258 m rings fit to the INFN-LNF site at Frascati. The ring emittance is minimized for the high luminosity. The Final Focus (FF) chromaticity correction is optimized for maximum transverse acceptance and energy bandwidth. Included Crab Waist sextupoles suppress betatron resonances induced in the collisions with a large Piwinski angle. The LER Spin Rotator sections provide longitudinally polarized electron beam at the IP. The lattice is flexible for tuning the machine parameters and compatible with reusing the PEP-II magnets, RF cavities and other components. Details of the lattice design are presented.

  19. Di-hadron production at Jefferson Lab

    SciTech Connect (OSTI)

    Anefalos Pereira, Sergio; et. al.,

    2014-10-01

    Semi-inclusive deep inelastic scattering (SIDIS) has been used extensively in recent years as an important testing ground for QCD. Studies so far have concentrated on better determination of parton distribution functions, distinguishing between the quark and antiquark contributions, and understanding the fragmentation of quarks into hadrons. Hadron pair (di-hadron) SIDIS provides information on the nucleon structure and hadronization dynamics that complement single hadron SIDIS. Di-hadrons allow the study of low- and high-twist distribution functions and Dihadron Fragmentation Functions (DiFF). Together with the twist-2 PDFs ( f1, g1, h1), the Higher Twist (HT) e and hL functions are very interesting because they offer insights into the physics of the largely unexplored quark-gluon correlations, which provide access into the dynamics inside hadrons. The CLAS spectrometer, installed in Hall-B at Jefferson Lab, has collected data using the CEBAF 6 GeV longitudinally polarized electron beam on longitudinally polarized solid NH3 targets. Preliminary results on di-hadron beam-, target- and double-spin asymmetries will be presented.

  20. Many-electron hyperpolarizability density analysis: Application to the dissociation process of one-dimensional H{sub 2}

    SciTech Connect (OSTI)

    Nakano Masayoshi; Nagao Hidemi; Yamaguchi Kizashi |

    1997-02-01

    A method for density analysis of static polarizabilities ({alpha}) and second hyperpolarizabilities ({gamma}) on the basis of the finite-field (FF) many-electron wave packets (MEWP) method is developed and applied to evaluation of the longitudinal {alpha} and {gamma} in the dissociation process for a one-dimensional H{sub 2} model. Remarkable increases in {alpha} and {gamma} are observed in the intermediate dissociation region. The internuclear distance where the {gamma} is maximized is also found to be larger than that where the {alpha} is maximized. In order to elucidate the characteristics of {alpha} and {gamma} in the dissociation process, we extract their classical pictures describing displacements of two-electron configurations by using (hyper)polarizability densities on the two-electron coordinate plane. It is suggested from these classical pictures that the polarization in the ionic structure contributes primarily to the enhancement of (hyper)polarizability in the intermediate dissociation region, while the polarization in the diradical structure causes the decrease of the (hyper)polarizability at a large internuclear distance. This implies that the experimental search for species with chemical bonds in the intermediate correlation regime is important and interesting in relation to the molecular design of nonlinear optical materials. {copyright} {ital 1997} {ital The American Physical Society}

  1. Oxygen Incorporation During Fabrication of Substrate CdTe Photovoltaic Devices: Preprint

    SciTech Connect (OSTI)

    Duenow, J. N.; Dhere, R. G.; Kuciauskas, D.; Li, J. V.; Pankow, J. W.; DeHart, C. M.; Gessert, T. A.

    2012-06-01

    Recently, CdTe photovoltaic (PV) devices fabricated in the nonstandard substrate configuration have attracted increasing interest because of their potential compatibility with flexible substrates such as metal foils and polymer films. This compatibility could lead to the suitability of CdTe for roll-to-roll processing and building-integrated PV. Currently, however, the efficiencies of substrate CdTe devices reported in the literature are significantly lower ({approx}6%-8%) than those of high-performance superstrate devices ({approx}17%) because of significantly lower open-circuit voltage (Voc) and fill factor (FF). In our recent device development efforts, we have found that processing parameters required to fabricate high-efficiency substrate CdTe PV devices differ from those necessary for traditional superstrate CdTe devices. Here, we investigate how oxygen incorporation in the CdTe deposition, CdCl2 heat treatment, CdS deposition, and post-deposition heat treatment affect device characteristics through their effects on the junction. By adjusting whether oxygen is incorporated during these processing steps, we have achieved Voc values greater than 860 mV and efficiencies greater than 10%.

  2. Evidence for an unorthodox firing sequence employed by the Berlin Painter. Deciphering ancient ceramic firing conditions through high-resolution material characterization and replication

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

    Cianchetta, I.; Trentelman, K.; Maish, J.; Saunders, D.; Foran, B.; Walton, M.; Sciau, Ph.; Wang, T.; Pouyet, E.; Cotte, M.; et al

    2014-12-10

    XANES spectroscopy was used to complement the results previously obtained with Raman spectroscopy by the same group to determine the firing conditions used in the production of a single vessel painted by the Berlin Painter in the 5th century B.C. The vessel, part of the collection of the J. Paul Getty Museum, presents a complicated layered architecture of black and red gloss, with different stratigraphies present on the interior and exterior surfaces. The study of two samples, one each from the interior and exterior surface of the vessel, was performed with the complementary analytical techniques of X-ray nano- and micro-spectroscopymore » (X-ray fluorescence spectroscopy (XRF) and full-field transmission X-ray micro-spectroscopy (FF-XANES) across the Fe K edge), and supported by a replication study. The replicates, made in a laboratory furnace providing complete control over the firing temperature and oxygen partial pressure, provided a paradigm for the comparison of the mineralogical phases observed in the ancient samples, which led to a deeper understanding of the firing conditions necessary for the production of the Berlin Painter's vessel. Our results confirm the necessity of multiple firings and painting applications to obtain the Berlin Painter's architecture and provide a further example of the multiplicity of techniques and practices employed by the potters of the Kerameikos in ancient Athens.« less

  3. Evidence for an unorthodox firing sequence employed by the Berlin Painter. Deciphering ancient ceramic firing conditions through high-resolution material characterization and replication

    SciTech Connect (OSTI)

    Cianchetta, I.; Trentelman, K.; Maish, J.; Saunders, D.; Foran, B.; Walton, M.; Sciau, Ph.; Wang, T.; Pouyet, E.; Cotte, M.; Meirer, F.; Liu, Y.; Pianetta, P.; Mehta, A.

    2014-12-10

    XANES spectroscopy was used to complement the results previously obtained with Raman spectroscopy by the same group to determine the firing conditions used in the production of a single vessel painted by the Berlin Painter in the 5th century B.C. The vessel, part of the collection of the J. Paul Getty Museum, presents a complicated layered architecture of black and red gloss, with different stratigraphies present on the interior and exterior surfaces. The study of two samples, one each from the interior and exterior surface of the vessel, was performed with the complementary analytical techniques of X-ray nano- and micro-spectroscopy (X-ray fluorescence spectroscopy (XRF) and full-field transmission X-ray micro-spectroscopy (FF-XANES) across the Fe K edge), and supported by a replication study. The replicates, made in a laboratory furnace providing complete control over the firing temperature and oxygen partial pressure, provided a paradigm for the comparison of the mineralogical phases observed in the ancient samples, which led to a deeper understanding of the firing conditions necessary for the production of the Berlin Painter's vessel. Our results confirm the necessity of multiple firings and painting applications to obtain the Berlin Painter's architecture and provide a further example of the multiplicity of techniques and practices employed by the potters of the Kerameikos in ancient Athens.

  4. Inclusive and Exclusive |Vub|

    SciTech Connect (OSTI)

    Petrella, Antonio; /Ferrara U. /INFN, Ferrara

    2011-11-17

    The current status of the determinations of CKM matrix element |V{sub ub}| via exclusive and inclusive charmless semileptonic B decays is reviewed. The large datasets collected at the B-Factories, and the increased precision of theoretical calculations have allowed an improvement in the determination of |V{sub ub}|. However, there are still significant uncertainties. In the exclusive approach, the most precise measurement of the pion channel branching ratio is obtained by an untagged analysis. This very good precision can be reached by tagged analyses with more data. The problem with exclusive decays is that the strong hadron dynamics can not be calculated from first principles and the determination of the form factor has to rely on light-cone sum rules or lattice QCD calculations. The current data samples allow a comparison of different FF models with data distributions. With further developments on lattice calculations, the theoretical error should shrink to reach the experimental one. The inclusive approach still provides the most precise |V{sub ub}| determinations. With new theoretical calculations, the mild (2.5{sigma}) discrepancy with respect to the |V{sub ub}| value determined from the global UT fit has been reduced. As in the exclusive approach, theoretical uncertainties represent the limiting factor to the precision of the measurement. Reducing the theoretical uncertainties to a level comparable with the statistical error is challenging. New measurements in semileptonic decays of charm mesons could increase the confidence in theoretical calculations and related uncertainties.

  5. Signatures of Planck corrections in a spiralling axion inflation model

    SciTech Connect (OSTI)

    McDonald, John

    2015-05-08

    The minimal sub-Planckian axion inflation model accounts for a large scalar-to-tensor ratio via a spiralling trajectory in the field space of a complex field Φ. Here we consider how the predictions of the model are modified by Planck scale-suppressed corrections. In the absence of Planck corrections the model is equivalent to a ϕ{sup 4/3} chaotic inflation model. Planck corrections become important when the dimensionless coupling ξ of |Φ|{sup 2} to the topological charge density of the strongly-coupled gauge sector FF{sup ~} satisfies ξ∼1. For values of |Φ| which allow the Planck corrections to be understood via an expansion in powers of |Φ|{sup 2}/M{sub Pl}{sup 2}, we show that their effect is to produce a significant modification of the tensor-to-scalar ratio from its ϕ{sup 4/3} chaotic inflation value without strongly modifying the spectral index. In addition, to leading order in |Φ|{sup 2}/M{sub Pl}{sup 2}, the Planck modifications of n{sub s} and r satisfy a consistency relation, Δn{sub s}=−Δr/16. Observation of these modifications and their correlation would allow the model to be distinguished from a simple ϕ{sup 4/3} chaotic inflation model and would also provide a signature for the influence of leading-order Planck corrections.

  6. Fullerene C{sub 70} as a p-type donor in organic photovoltaic cells

    SciTech Connect (OSTI)

    Zhuang, Taojun; Wang, Xiao-Feng E-mail: zrhong@ucla.edu Sano, Takeshi; Kido, Junji E-mail: zrhong@ucla.edu; Hong, Ziruo E-mail: zrhong@ucla.edu; Li, Gang; Yang, Yang

    2014-09-01

    Fullerenes and their derivatives have been widely used as n-type materials in organic transistor and photovoltaic devices. Though it is believed that they shall be ambipolar in nature, there have been few direct experimental proofs for that. In this work, fullerene C{sub 70}, known as an efficient acceptor, has been employed as a p-type electron donor in conjunction with 1,4,5,8,9,11-hexaazatriphenylene hexacarbonitrile as an electron acceptor in planar-heterojunction (PHJ) organic photovoltaic (OPV) cells. High fill factors (FFs) of more than 0.70 were reliably achieved with the C{sub 70} layer even up to 100?nm thick in PHJ cells, suggesting the superior potential of fullerene C{sub 70} as the p-type donor in comparison to other conventional donor materials. The optimal efficiency of these unconventional PHJ cells was 2.83% with a short-circuit current of 5.33?mA/cm{sup 2}, an open circuit voltage of 0.72?V, and a FF of 0.74. The results in this work unveil the potential of fullerene materials as donors in OPV devices, and provide alternative approaches towards future OPV applications.

  7. 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

  8. Microsoft PowerPoint - HAB1111-Dowellfinalnobu.pptx

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

    fe a n d E ff e c ti v e C le a n u p th a t P ro te c ts th e C o lu m b ia R iv e r ¾ Re du ce s th e Ac tiv e Sit e Fo ot pr int of Cl ea nu p to 75 Sq ua re Mi les (5 86 to 75 ) ¾ Sig ni fic an tly Re du ce s Lo ng -T erm Mo rtg ag e Co st s ¾ At Co m pl eti on , Sh ift s Em ph as is an d Re so ur ce s to Fu ll of th e Ce nt ra l Pla tea u (7 5 sq ua re m ile s) ¾ Re du ce s Co st s by "R i Mi ss io Ri ch la nd O pe ra tio ns Of fic e B & C Ar ea 9 Inte rim Saf e Sto rag e f 9 N

  9. Multichromophoric energy sensitization of C{sub 60} for organic photovoltaics

    SciTech Connect (OSTI)

    Bartynski, Andrew N.; Trinh, Cong; Kirlikovali, Kent O.; Thompson, Mark E.

    2014-09-15

    In organic photovoltaics (OPVs), photocurrent generation is limited by absorption and exciton diffusion in the active layer. In this work, we describe the energy sensitization of C{sub 60} simultaneously by two chromophores at high volume concentrations (50%). This sensitization strategy takes advantage of the intense absorption of the sensitizers and the exceptional electron conduction and exciton diffusion length of C{sub 60} resulting in a 30% increase in photoresponse of the C{sub 60}-based sensitized acceptor layer between ??=?450?nm and 670?nm and power conversion efficiency under simulated AM 1.5?G illumination. In (2,4-bis[4-(N,N-diphenylamino)-2,6-dihydroxyphenyl] squaraine)/C{sub 60} devices, sensitization results in an increase in J{sub SC} from 6.5??0.2?mA/cm{sup 2} to 8.6??0.2?mA/cm{sup 2} without compromising V{sub OC} or FF. These results demonstrate the robust nature of this sensitization scheme and its broad potential for application in OPVs.

  10. Apex nuclear fuel cycle for production of light water reactor fuel and elimination of radioactive waste

    SciTech Connect (OSTI)

    Steinberg, M.; Hiroshi, T.; Powell, J.R.

    1982-09-01

    The development of a nuclear fission fuel cycle is proposed that eliminates all the radioactive fission product (FP) waste effluent and the need for geological age high-level waste storage and provides a longterm supply of fissile fuel for a light water reactor (LWR) economy. The fuel cycle consists of reprocessing LWR spent fuel (1 to 2 yr old) to remove the stable nonradioactive FPs (NRFPs) e.g., lanthanides, etc.) and short-lived FPs (SLFP) (e.g., half-lives of less than or equal to 1 to 2 yr) and returning, in dilute form, the long-lived FPs (LLFPs) (e.g., 30-yr half-life cesium and strontium, 10-yr krypton, and 16 X 10/sup 6/-yr iodine) and the transuranics (TUs) (e.g., plutonium, americium, curium, and neptunium) to be refabricated into fresh fuel elements. Makeup fertile and fissile fuel (FF) are to be supplied through the use of the spallator (linear accelerator spallation-target fuel producer). The reprocessing of LWR fuel elements is to be performed by means of the chelox process, which consists of chopping and leaching with an organic chelating reagent (..beta..-diketonate) and distillation of the organometallic compounds formed for purposes of separating and partitioning the FPs. The stable NRFPs and SLFPs are allowed to decay to background in 10 to 20 yr for final disposal to the environment.

  11. The fusion-fission process in the reaction {sup 34}S+{sup 186}W near the interaction barrier

    SciTech Connect (OSTI)

    Harca, I. M.; Dmitriev, S.; Itkis, J.; Kozulin, E. M.; Knyazheva, G.; Loktev, T.; Novikov, K.; Azaiez, F.; Gottardo, A.; Matea, I.; Verney, D.; Hanappe, F.; Piot, J.; Schmitt, C.; Vardaci, E.

    2015-02-24

    The reaction {sup 34}S+{sup 186}W at E{sub lab}=160 MeV was investigated with the aim of diving into the features of the fusion-fission process. Gamma rays in coincidence with binary reaction fragments were measured using the high efficiency gamma-ray spectrometer ORGAM at the TANDEM Accelerator facility of I.P.N., Orsay, and the time-of-flight spectrometer for fission fragments (FF) registration CORSET of the Flerov Laboratory of Nuclear Reactions (FLNR), Dubna. The coupling of the ORGAM and CORSET setups offers the unique opportunity of extracting details for characterizing the fusion-fission process and gives information regarding production of neutron-rich heavy nuclei. The FF–γ coincidence method is of better use then the γ – γ coincidence method when dealing with low statistic measurements and also offers the opportunity to precisely correct the Dopler shift for in-flight emitted gamma rays. Evidence of symmetric and asymmetric fission modes were observed in the mass and TKE distributions, occurring due to shell effects in the fragments. Coincident measurements allow for discrimination between the gamma rays by accepting a specific range within the mass distribution of the reaction products. Details regarding the experimental setup, methods of processing the acquisitioned data and preliminary results are presented.

  12. Characterization of uranium tetrafluoride (UF 4 ) with Raman spectroscopy

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

    Villa-Aleman, Eliel; Wellons, Matthew S.

    2016-03-22

    The Raman spectrum of uranium tetrafluoride (UF4) is unambiguously characterized with multiple Raman excitation laser sources for the first time. Across different laser excitation wavelengths, UF4 demonstrates 16 distinct Raman bands within the 50-400 cm-1 region. The observed Raman bands are representative of various F-F vibrational modes. UF4 also shows intense fluorescent bands in the 325 – 750 nm spectral region. Comparison of the UF4 spectrum with the ZrF4 spectrum, its crystalline analog, demonstrates a similar Raman band structure consistent with group theory predictions for expected Raman bands. Additionally, a demonstration of combined scanning electron microscopy (SEM) and in situmore » Raman spectroscopy microanalytical measurements of UF4 particulates shows that despite the inherent weak intensity of Raman bands, identification and characterization are possible for micron-sized particulates with modern instrumentation. The published well characterized UF4 spectrum is extremely relevant to nuclear materials and nuclear safeguard applications.« less

  13. Comment on “Towards high efficiency thin-film crystalline silicon solar cells: The roles of light trapping and non-radiative recombinations” [J. Appl. Phys. 115, 094501 (2014)

    SciTech Connect (OSTI)

    Abenante, L.

    2015-01-14

    In the above paper, an analytical approach including a new solution to the differential diffusion equation in illuminated quasi-neutral regions (QNR) is exploited to calculate the short-circuit current density (J{sub sc}), open-circuit voltage (V{sub oc}), fill factor (FF), and efficiency (η) of light-trapping (LT) c-Si solar cells with a given structure. Comparisons with numerical results calculated by the Silvaco ATLAS device simulator in the same LT cells show that the analytical results are systematically overestimated. According to the authors, the inaccuracies in J{sub sc}, V{sub oc}, and η are due to the fact that assuming ideal collection from space-charge region (SCR) and using the superposition approximation introduce systematic errors into analytical models. In this comment, an analytical approach using reported solutions to the transport equations in QNR and SCR, where ideal collection from SCR is assumed and the superposition approximation is used, is shown to agree with both the Silvaco and PC1d numerical approaches in calculating J{sub sc}, V{sub oc}, and η, in the same LT devices as considered in the commented paper. Reasons for the inaccuracies detected in the commented paper are suggested.

  14. High-efficiency, flexible CdTe solar cells on ultra-thin glass substrates

    SciTech Connect (OSTI)

    Mahabaduge, H. P.; Rance, W. L.; Burst, J. M.; Reese, M. O.; Gessert, T. A.; Metzger, W. K.; Barnes, T. M.; Meysing, D. M.; Wolden, C. A.; Li, J.; Beach, J. D.; Garner, S.

    2015-03-30

    Flexible, high-efficiency, low-cost solar cells can enable applications that take advantage of high specific power, flexible form factors, lower installation and transportation costs. Here, we report a certified record efficiency of 16.4% for a flexible CdTe solar cell that is a marked improvement over the previous standard (14.05%). The improvement was achieved by replacing chemical-bath-deposited CdS with sputtered CdS:O and also replacing the high-temperature sputtered ZnTe:Cu back contact layer with co-evaporated and rapidly annealed ZnTe:Cu. We use quantum efficiency and capacitance-voltage measurements combined with device simulations to identify the reasons for the increase in efficiency. Both device simulations and experimental results show that higher carrier density can quantitatively account for the increased open circuit voltage (V{sub OC}) and Fill Factor (FF), and likewise, the increase in short circuit current density (J{sub SC}) can be attributed to the more transparent CdS:O.

  15. F Y

    Office of Legacy Management (LM)

    r t l t ( o F Y . -'d$ , ; i ;:1 .. i''ft |'i:l E3 11t{ [:'1] kr! lird tsT.' D : N ii3 i'r{ H B$ t.,:::\ tiil rc t'1;tl l : $ !& tr$ i"d ttsF t;'.1 F i tr Flt t.:.1 riq Ej r"'F Fifi bd fiT r r r ki'i't @ Fff lr{ lr'ff t{; ):.lr t: i'l !d !r.q ii.'r: I f li.::r ril I,T Fi+l h4 E[ [ts ht ffi v..' ffi;.1 lri lir$l l'',{ tr;:.j 'tlr C O M P R E H E N S I V E R A D I O L O G I C A L S U R V E Y O F F - S I T E P B O P E R T Y V N I A G A R A F A L L S S T O R A G E S I T E L E W l s r o

  16. Evaluation of Mercury Emissions from Coal-Fired Facilities with SCR and FGD Systems

    SciTech Connect (OSTI)

    J. A. Withum; J. E. Locke

    2006-02-01

    CONSOL Energy Inc., Research & Development (CONSOL), with support from the U.S. Department of Energy, National Energy Technology Laboratory (DOE) and the Electric Power Research Institute (EPRI), is evaluating the effects of selective catalytic reduction (SCR) on mercury (Hg) capture in coal-fired plants equipped with an electrostatic precipitator (ESP)--wet flue gas desulfurization (FGD) combination or a spray dyer absorber--fabric filter (SDA-FF) combination. In this program CONSOL is determining mercury speciation and removal at 10 coal-fired facilities. The principal purpose of this work is to develop a better understanding of the potential mercury removal ''co-benefits'' achieved by NO{sub x}, and SO{sub 2} control technologies. It is expected that this data will provide the basis for fundamental scientific insights into the nature of mercury chemistry in flue gas, the catalytic effect of SCR systems on mercury speciation and the efficacy of different FGD technologies for mercury capture. Ultimately, this insight could help to design and operate SCR and FGD systems to maximize mercury removal. The objectives are (1) to evaluate the effect of SCR on mercury capture in the ESP-FGD and SDA-FF combinations at coal-fired power plants, (2) evaluate the effect of SCR catalyst degradation on mercury capture; (3) evaluate the effect of low load operation on mercury capture in an SCR-FGD system, and (4) collect data that could provide the basis for fundamental scientific insights into the nature of mercury chemistry in flue gas, the catalytic effect of SCR systems on mercury speciation and the efficacy of different FGD technologies for mercury capture. This document, the tenth in a series of topical reports, describes the results and analysis of mercury sampling performed on two 468 MW units burning bituminous coal containing 1.3-1.7% sulfur. Unit 2 is equipped with an SCR, ESP, and wet FGD to control NO{sub x}, particulate, and SO{sub 2} emissions, respectively. Unit 1 is similar to Unit 2, except that Unit 1 has no SCR for NOx control. Four sampling tests were performed on both units in January 2005; flue gas mercury speciation and concentrations were determined at the economizer outlet, air heater outlet (ESP inlet), ESP outlet (FGD inlet), and at the stack (FGD outlet) using the Ontario Hydro method. Process samples for material balances were collected with the flue gas measurements. The results show that the SCR increased the oxidation of the mercury at the air heater outlet. At the exit of the air heater, a greater percentage of the mercury was in the oxidized and particulate forms on the unit equipped with an SCR compared to the unit without an SCR (97.4% vs 91%). This higher level of oxidation resulted in higher mercury removals in the scrubber. Total mercury removal averaged 97% on the unit with the SCR, and 87% on the unit without the SCR. The average mercury mass balance closure was 84% on Unit 1 and 103% on Unit 2.

  17. Validation of a virtual source model for Monte Carlo dose calculations of a flattening filter free linac

    SciTech Connect (OSTI)

    Cashmore, Jason; Golubev, Sergey; Dumont, Jose Luis; Sikora, Marcin; Alber, Markus; Ramtohul, Mark

    2012-06-15

    Purpose: A linac delivering intensity-modulated radiotherapy (IMRT) can benefit from a flattening filter free (FFF) design which offers higher dose rates and reduced accelerator head scatter than for conventional (flattened) delivery. This reduction in scatter simplifies beam modeling, and combining a Monte Carlo dose engine with a FFF accelerator could potentially increase dose calculation accuracy. The objective of this work was to model a FFF machine using an adapted version of a previously published virtual source model (VSM) for Monte Carlo calculations and to verify its accuracy. Methods: An Elekta Synergy linear accelerator operating at 6 MV has been modified to enable irradiation both with and without the flattening filter (FF). The VSM has been incorporated into a commercially available treatment planning system (Monaco Trade-Mark-Sign v 3.1) as VSM 1.6. Dosimetric data were measured to commission the treatment planning system (TPS) and the VSM adapted to account for the lack of angular differential absorption and general beam hardening. The model was then tested using standard water phantom measurements and also by creating IMRT plans for a range of clinical cases. Results: The results show that the VSM implementation handles the FFF beams very well, with an uncertainty between measurement and calculation of <1% which is comparable to conventional flattened beams. All IMRT beams passed standard quality assurance tests with >95% of all points passing gamma analysis ({gamma} < 1) using a 3%/3 mm tolerance. Conclusions: The virtual source model for flattened beams was successfully adapted to a flattening filter free beam production. Water phantom and patient specific QA measurements show excellent results, and comparisons of IMRT plans generated in conventional and FFF mode are underway to assess dosimetric uncertainties and possible improvements in dose calculation and delivery.

  18. A reactive force field study of Li/C systems for electrical energy storage

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

    Raju, Muralikrishna; Ganesh, P.; Kent, Paul R. C.; van Duin, Adri C.T.

    2015-04-02

    Graphitic carbon is still the most ubiquitously used anode material in Li-ion batteries. In spite of its ubiquity, there are few theoretical studies that fully capture the energetics and kinetics of Li in graphite and related nanostructures at experimentally relevant length, time-scales, and Li-ion concentrations. In this paper, we describe the development and application of a ReaxFF reactive force field to describe Li interactions in perfect and defective carbon-based materials using atomistic simulations. We develop force field parameters for Li–C systems using van der Waals-corrected density functional theory (DFT). Grand canonical Monte Carlo simulations of Li intercalation in perfect graphitemore » with this new force field not only give a voltage profile in good agreement with known experimental and DFT results but also capture the in-plane Li ordering and interlayer separations for stage I and II compounds. In defective graphite, the ratio of Li/C (i.e., the capacitance increases and voltage shifts) both in proportion to the concentration of vacancy defects and metallic lithium is observed to explain the lithium plating seen in recent experiments. We also demonstrate the robustness of the force field by simulating model carbon nanostructures (i.e., both 0D and 1D structures) that can be potentially used as battery electrode materials. Whereas a 0D defective onion-like carbon facilitates fast charging/discharging rates by surface Li adsorption, a 1D defect-free carbon nanorod requires a critical density of Li for intercalation to occur at the edges. Our force field approach opens the opportunity for studying energetics and kinetics of perfect and defective Li/C structures containing thousands of atoms as a function of intercalation. As a result, this is a key step toward modeling of realistic carbon materials for energy applications.« less

  19. Muscle segment homeobox genes direct embryonic diapause by limiting inflammation in the uterus

    SciTech Connect (OSTI)

    Cha, Jeeyeon; Burnum-Johnson, Kristin E.; Bartos, Amanda; Li, Yingju; Baker, Erin Shammel; Tilton, Susan C.; Webb-Robertson, Bobbie-Jo M.; Piehowski, Paul D.; Monroe, Matthew E.; Jegga, Anil; Murata, Shigeo; Hirota, Yasushi; Dey, Sudhansu K.

    2015-06-11

    Embryonic diapause (delayed implantation) is a reproductive strategy widespread in the animal kingdom. Under this condition, embryos at the blastocyst stage become dormant simultaneously with uterine quiescence until environmental or physiological conditions are favorable for the survival of the mother and newborn. Under favorable conditions, activation of the blastocyst and uterus ensues with implantation and progression of pregnancy. Although endocrine factors are known to participate in this process, the underlying molecular mechanism coordinating this phenomenon is not clearly understood. We recently found that uterine muscle segment homeobox (Msx) transcription factors are critical for the initiation and maintenance of delayed implantation in mice. To better understand why Msx genes are critical for delayed implantation, we compared uterine proteomics profiles between littermate floxed (Msx1/Msx2f/f) mice and mice with uterine deletion of Msx genes (Msx1/Msx2d/d) under delayed conditions. In Msx1/Msx2d/d uteri, pathways including protein translation, ubiquitin-proteasome system, inflammation, chaperone-mediated protein folding, and endoplasmic reticulum (ER) stress were enriched, and computational modeling showed intersection of these pathways on inflammatory responses. Indeed, increases in the ubiquitin-proteasome system and inflammation conformed to proteotoxic and ER stress in Msx1/Msx2d/d uteri under delayed conditions. Interestingly, treatment with a proteasome inhibitor bortezomib further exacerbated ER stress in Msx1/Msx2d/d uteri with aggravated inflammatory response, deteriorating rate of blastocyst recovery and failure to sustain delayed implantation. This study highlights a previously unrecognized role for Msx in preventing proteotoxic stress and inflammatory responses to coordinate embryo dormancy and uterine quiescence during embryonic diapause.

  20. Disruption of TGF-? signaling in smooth muscle cell prevents flow-induced vascular remodeling

    SciTech Connect (OSTI)

    Gao, Fu; Chambon, Pierre; Tellides, George; Kong, Wei; Zhang, Xiaoming; Li, Wei

    2014-11-07

    Highlights: TGF-? signaling in SMC contributes to the flow-induced vascular remodeling. Disruption of TGF-? signaling in SMC can prevent this process. Targeting SM-specific Tgfbr2 could be a novel therapeutic strategy for vascular remodeling. - Abstract: Transforming growth factor-? (TGF-?) signaling has been prominently implicated in the pathogenesis of vascular remodeling, especially the initiation and progression of flow-induced vascular remodeling. Smooth muscle cells (SMCs) are the principal resident cells in arterial wall and are critical for arterial remodeling. However, the role of TGF-? signaling in SMC for flow-induced vascular remodeling remains unknown. Therefore, the goal of our study was to determine the effect of TGF-? pathway in SMC for vascular remodeling, by using a genetical smooth muscle-specific (SM-specific) TGF-? type II receptor (Tgfbr2) deletion mice model. Mice deficient in the expression of Tgfbr2 (MyhCre.Tgfbr2{sup f/f}) and their corresponding wild-type background mice (MyhCre.Tgfbr2{sup WT/WT}) underwent partial ligation of left common carotid artery for 1, 2, or 4 weeks. Then the carotid arteries were harvested and indicated that the disruption of Tgfbr2 in SMC provided prominent inhibition of vascular remodeling. And the thickening of carotid media, proliferation of SMC, infiltration of macrophage, and expression of matrix metalloproteinase (MMP) were all significantly attenuated in Tgfbr2 disruption mice. Our study demonstrated, for the first time, that the TGF-? signaling in SMC plays an essential role in flow-induced vascular remodeling and disruption can prevent this process.

  1. High Performance Organic Photovoltaics via Novel Materials Combinations

    SciTech Connect (OSTI)

    Laird, Dr Darin; McGuiness, Dr Christine; Storch, Mark

    2011-01-20

    OPV cell efficiencies have increased significantly over the last decade and verified champion efficiencies are currently at 8.3% for both single and multi-junction device types. These increases in efficiency have been driven through the development and optimization of the donor and acceptor materials in bulk heterojunction active layers. Plextronics and Solarmer Energy Inc. are two of the world leading developers of these donor and acceptor materials. Solarmer Energy has reported NREL certified 6.77% efficiencies using optimized low band gap donor materials in combination with PC61BM and PC71BM acceptors and recently reported a champion NREL certified efficiency of 8.1%. Plextronics has reported Newport certified efficiencies of 6.7% using PC71BM acceptors with low band gap materials. In addition, Plextronics has also demonstrated that OPV efficiency of P3HT based materials can be improved by 50% by improving the Voc using alternative acceptors (indene substituted C60 and C70) to PC61BM and PC71BM. However, performance of these alternative acceptors in combination with low band gap materials has not been investigated and the potential for efficiency improvement is evident. In this collaboration, four low band gap donor materials from Solarmer Energy Inc were combined with Plextronics indene-class acceptors Plextronics indene substituted C60 and C70 acceptors to demonstrate OPV performance greater than 7%. Two main indene class C60 acceptors (codenamed Mono-indene[C60] Mono-indene[C60] , Bis-indene[C60] ) were screened with the Solarmer polymers. These four polymers were screened and optimized with the indene class acceptors at both Plextronics and Solarmer. A combination was identified which produced 6.7% (internal measurement) with a Solarmer polymer and a Plextronics fullerene acceptor. This was accomplished primarily by improving the Voc as well as improving the current (Jsc) and FF.

  2. Dynamics of confined reactive water in Smectic clay-zeolite composites.

    SciTech Connect (OSTI)

    Pitman, Michael C.; Van Duin, Adri C. T.

    2012-01-01

    The dynamics of water confined to mesoporous regions in minerals such as swelling clays and zeolites is fundamental to a wide range of resource management issues impacting many processes on a global scale, including radioactive waste containment, desalination, and enhanced oil recovery. Large-scale atomic models of freely diffusing multilayer smectite particles at low hydration confined in a silicalite cage are used to investigate water dynamics in the composite environment with the ReaxFF reactive force field over a temperature range of 300 647 K. The reactive capability of the force field enabled a range of relevant surface chemistry to emerge, including acid/base equilibria in the interlayer calcium hydrates and silanol formation on the edges of the clay and inner surface of the zeolite housing. After annealing, the resulting clay models exhibit both mono- and bilayer hydration structures. Clay surface hydration redistributed markedly and yielded to silicalite water loading. We find that the absolute rates and temperature dependence of water dynamics compare well to neutron scattering data and pulse field gradient measures from relevant samples of Ca-montmorillonite and silicalite, respectively. Within an atomistic, reactive context, our results distinguish water dynamics in the interlayer Ca(OH)2 nH2O environment from water flowing over the clay surface, and from water diffusing within silicalite. We find that the diffusion of water when complexed to Ca hydrates is considerably slower than freely diffusing water over the clay surface, and the reduced mobility is well described by a difference in the Arrhenius pre-exponential factor rather than a change in activation energy.

  3. Dynamics of confined reactive water in smectite clay-zeolite composites

    SciTech Connect (OSTI)

    Pitman, Michael C.; Van Duin, Adri C. T.

    2012-01-01

    The dynamics of water confined to mesoporous regions in minerals such as swelling clays and zeolites is fundamental to a wide range of resource management issues impacting many processes on a global scale, including radioactive waste containment, desalination, and enhanced oil recovery. Large-scale atomic models of freely diffusing multilayer smectite particles at low hydration confined in a silicalite cage are used to investigate water dynamics in the composite environment with the ReaxFF reactive force field over a temperature range of 300 647 K. The reactive capability of the force field enabled a range of relevant surface chemistry to emerge, including acid/base equilibria in the interlayer calcium hydrates and silanol formation on the edges of the clay and inner surface of the zeolite housing. After annealing, the resulting clay models exhibit both mono- and bilayer hydration structures. Clay surface hydration redistributed markedly and yielded to silicalite water loading. We find that the absolute rates and temperature dependence of water dynamics compare well to neutron scattering data and pulse field gradient measures from relevant samples of Ca-montmorillonite and silicalite, respectively. Within an atomistic, reactive context, our results distinguish water dynamics in the interlayer Ca(OH)2 nH2O environment from water flowing over the clay surface, and from water diffusing within silicalite. We find that the diffusion of water when complexed to Ca hydrates is considerably slower than freely diffusing water over the clay surface, and the reduced mobility is well described by a difference in the Arrhenius pre-exponential factor rather than a change in activation energy.

  4. Flattening filter removal for improved image quality of megavoltage fluoroscopy

    SciTech Connect (OSTI)

    Christensen, James D.; Kirichenko, Alexander; Gayou, Olivier

    2013-08-15

    Purpose: Removal of the linear accelerator (linac) flattening filter enables a high rate of dose deposition with reduced treatment time. When used for megavoltage imaging, an unflat beam has reduced primary beam scatter resulting in sharper images. In fluoroscopic imaging mode, the unflat beam has higher photon count per image frame yielding higher contrast-to-noise ratio. The authors goal was to quantify the effects of an unflat beam on the image quality of megavoltage portal and fluoroscopic images.Methods: 6 MV projection images were acquired in fluoroscopic and portal modes using an electronic flat-panel imager. The effects of the flattening filter on the relative modulation transfer function (MTF) and contrast-to-noise ratio were quantified using the QC3 phantom. The impact of FF removal on the contrast-to-noise ratio of gold fiducial markers also was studied under various scatter conditions.Results: The unflat beam had improved contrast resolution, up to 40% increase in MTF contrast at the highest frequency measured (0.75 line pairs/mm). The contrast-to-noise ratio was increased as expected from the increased photon flux. The visualization of fiducial markers was markedly better using the unflat beam under all scatter conditions, enabling visualization of thin gold fiducial markers, the thinnest of which was not visible using the unflat beam.Conclusions: The removal of the flattening filter from a clinical linac leads to quantifiable improvements in the image quality of megavoltage projection images. These gains enable observers to more easily visualize thin fiducial markers and track their motion on fluoroscopic images.

  5. Multibody correlations in the hydrophobic solvation of glycine peptides

    SciTech Connect (OSTI)

    Harris, Robert C.; Drake, Justin A.; Pettitt, B. Montgomery

    2014-12-14

    Protein collapse during folding is often assumed to be driven by a hydrophobic solvation energy (ΔG{sub vdw}) that scales linearly with solvent-accessible surface area (A). In a previous study, we argued that ΔG{sub vdw}, as well as its attractive (ΔG{sub att}) and repulsive (ΔG{sub rep}) components, was not simply a linear function of A. We found that the surface tensions, γ{sub rep}, γ{sub att}, and γ{sub vdw}, gotten from ΔG{sub rep}, ΔG{sub att}, and ΔG{sub vdw} against A for four configurations of deca-alanine differed from those obtained for a set of alkanes. In the present study, we extend our analysis to fifty decaglycine structures and atomic decompositions. We find that different configurations of decaglycine generate different estimates of γ{sub rep}. Additionally, we considered the reconstruction of the solvation free energy from scaling the free energy of solvation of each atom type, free in solution. The free energy of the isolated atoms, scaled by the inverse surface area the atom would expose in the molecule does not reproduce the γ{sub rep} for the intact decaglycines. Finally, γ{sub att} for the decaglycine conformations is much larger in magnitude than those for deca-alanine or the alkanes, leading to large negative values of γ{sub vdw} (−74 and −56 cal/mol/Å{sup 2} for CHARMM27 and AMBER ff12sb force fields, respectively). These findings imply that ΔG{sub vdw} favors extended rather than compact structures for decaglycine. We find that ΔG{sub rep} and ΔG{sub vdw} have complicated dependencies on multibody correlations between solute atoms, on the geometry of the molecular surface, and on the chemical identities of the atoms.

  6. Improvement of the photoluminescent intensity of ZnTa{sub 2}O{sub 6}:Pr{sup 3+} phosphor

    SciTech Connect (OSTI)

    Noto, L.L. Ntwaeaborwa, O.M.; Yagoub, M.Y.A.; Swart, H.C.

    2014-07-01

    Highlights: The optimal luminescence intensity was obtained for 0.4 mol% Pr{sup 3+} doped ZnTa{sub 2}O{sub 6}. The ZnTa{sub 2}O{sub 6}:Pr{sup 3+} has a colour index matching an ideal red emission. The cross relaxation process led to a decrease in red emission at higher Pr{sup 3+} concentrations. The blue emission continues to increase at higher Pr{sup 3+} concentrations. The persistent luminescent increases with an increase in Pr{sup 3+} concentration. - Abstract: A red emitting ZnTa{sub 2}O{sub 6}:Pr{sup 3+} phosphor with Commission Internationale de lEclairage coordinates that match those of an ideal red emission was prepared by solid state chemical reaction. X-ray diffraction confirmed that a pure orthorhombic phase of ZnTa{sub 2}O{sub 6} was crystallized. A homogeneous distribution of the Pr{sup 3+} ions was confirmed from the analysis of the time of flight secondary ion mass spectroscopy overlay images. In addition to the reflectance at 259 nm associated with band-to-band absorption, minor reflectance peaks associated with f-f transitions of Pr{sup 3+} were observed at 420500 nm. The main red emission peak was split into minor peaks located at 608, 619 and 639 nm that were assigned to {sup 1}D{sub 2} ? {sup 3}H{sub 4}, {sup 3}P{sub 0} ? {sup 3}H{sub 6} and {sup 3}P{sub 0} ? {sup 3}F{sub 2} transitions of Pr{sup 3+}, respectively. With increasing concentration of Pr{sup 3+}, a relatively weak blue emission was observed at 488 nm and this phenomenon maybe attributed to virtual charge transfer or/and inter cross relaxation effects. The decay characteristics of the persistent emission were also calculated.

  7. Reactive force field study of Li/C systems for electrical energy storage

    SciTech Connect (OSTI)

    Raju, Muralikrishna; Ganesh, P.; Kent, Paul R. C.; van Duin, Adri C.T.

    2015-04-02

    Graphitic carbon is still the most ubiquitously used anode material in Li-ion batteries. In spite of its ubiquity, there are few theoretical studies that fully capture the energetics and kinetics of Li in graphite and related nanostructures at experimentally relevant length, time-scales, and Li-ion concentrations. In this paper, we describe the development and application of a ReaxFF reactive force field to describe Li interactions in perfect and defective carbon-based materials using atomistic simulations. We develop force field parameters for Li–C systems using van der Waals-corrected density functional theory (DFT). Grand canonical Monte Carlo simulations of Li intercalation in perfect graphite with this new force field not only give a voltage profile in good agreement with known experimental and DFT results but also capture the in-plane Li ordering and interlayer separations for stage I and II compounds. In defective graphite, the ratio of Li/C (i.e., the capacitance increases and voltage shifts) both in proportion to the concentration of vacancy defects and metallic lithium is observed to explain the lithium plating seen in recent experiments. We also demonstrate the robustness of the force field by simulating model carbon nanostructures (i.e., both 0D and 1D structures) that can be potentially used as battery electrode materials. Whereas a 0D defective onion-like carbon facilitates fast charging/discharging rates by surface Li adsorption, a 1D defect-free carbon nanorod requires a critical density of Li for intercalation to occur at the edges. Our force field approach opens the opportunity for studying energetics and kinetics of perfect and defective Li/C structures containing thousands of atoms as a function of intercalation. As a result, this is a key step toward modeling of realistic carbon materials for energy applications.

  8. Long-Term Carbon Injection Field Test for 90% Mercury Removal for a PRB Unit a Spray Dryer and Fabric Filter

    SciTech Connect (OSTI)

    Sjostrom, Sharon; Amrhein, Jerry

    2009-04-30

    The power industry in the U.S. is faced with meeting regulations to reduce the emissions of mercury compounds from coal-fired plants. Injecting a sorbent such as powdered activated carbon (PAC) into the flue gas represents one of the simplest and most mature approaches to controlling mercury emissions from coal-fired boilers. The purpose of this test program was to evaluate the long-term mercury removal capability, long-term mercury emissions variability, and operating and maintenance (O&M) costs associated with sorbent injection on a configuration being considered for many new plants. Testing was conducted by ADA Environmental Solutions (ADA) at Rocky Mountain Powers (RMP) Hardin Station through funding provided by DOE/NETL, RMP, and other industry partners. The Hardin Station is a new plant rated at 121 MW gross that was first brought online in April of 2006. Hardin fires a Powder River Basin (PRB) coal and is configured with selective catalytic reduction (SCR) for NOx control, a spray dryer absorber (SDA) for SO2 control, and a fabric filter (FF) for particulate control. Based upon previous testing at PRB sites with SCRs, very little additional mercury oxidation from the SCR was expected at Hardin. In addition, based upon results from DOE/NETL Phase II Round I testing at Holcomb Station and results from similarly configured sites, low native mercury removal was expected across the SDA and FF. The main goal of this project was metsorbent injection was used to economically and effectively achieve 90% mercury control as measured from the air heater (AH) outlet to the stack for a period of ten months. This goal was achieved with DARCO Hg-LH, Calgon FLUEPAC-MC PLUS and ADA Power PAC PREMIUM brominated activated carbons at nominal loadings of 1.52.5 lb/MMacf. An economic analysis determined the twenty-year levelized cost to be 0.87 mills/kW-hr, or $15,000/lb Hg removed. No detrimental effects on other equipment or plant operations were observed. The results of this project also filled a data gap for plants firing PRB coal and configured with an SCR, SDA, and FF, as many new plants are being designed today. Another goal of the project was to evaluate, on a short-term basis, the mercury removal associated with coal additives and coal blending with western bituminous coal. The additive test showed that, at this site, the coal additive known as KNX was affective at increasing mercury removal while decreasing sorbent usage. Coal blending was conducted with two different western bituminous coals, and West Elk coal increased native capture from nominally 10% to 50%. Two additional co-benefits were discovered at this site. First, it was found that native capture increased from nominally 10% at full load to 50% at low load. The effect is believed to be due to an increase in mercury oxidation across the SCR caused by a corresponding decrease in ammonia injection when the plant reduces load. Less ammonia means more active oxidation sites in the SCR for the mercury. The second co-benefit was the finding that high ammonia concentrations can have a negative impact on mercury removal by powdered activated carbon. For a period of time, the plant operated with a high excess of ammonia injection necessitated by the plugging of one-third of the SCR. Under these conditions and at high load, the mercury control system could not maintain 90% removal even at the maximum feed rate of 3.5 lb/MMacf (pounds of mercury per million actual cubic feet). The plant was able to demonstrate that mercury removal was directly related to the ammonia injection rate in a series of tests where the ammonia rate was decreased, causing a corresponding increase in mercury removal. Also, after the SCR was refurbished and ammonia injection levels returned to normal, the mercury removal performance also returned to normal. Another goal of the project was to install a commercial-grade activated carbon injection (ACI) system and integrate it with new-generation continuous emissions monitors for mercury (Hg-CEMs) to allow automatic feedback control on outlet me

  9. Biotransformation of furanic and phenolic compounds with hydrogen gas production in a microbial electrolysis cell

    SciTech Connect (OSTI)

    Zeng, Xiaofei; Borole, Abhijeet P.; Pavlostathis, Spyros G.

    2015-10-27

    In this study, furanic and phenolic compounds are problematic byproducts resulting from the decomposition of lignocellulosic biomass during biofuel production. This study assessed the capacity of a microbial electrolysis cell (MEC) to produce hydrogen gas (H2) using a mixture of two furanic (furfural, FF; 5-hydroxymethyl furfural, HMF) and three phenolic (syringic acid, SA; vanillic acid, VA; and 4-hydroxybenzoic acid, HBA) compounds as the sole carbon and energy source in the bioanode. The rate and extent of biotransformation of the five compounds, efficiency of H2 production, as well as the anode microbial community structure were investigated. The five compounds were completely transformed within 7-day batch runs and their biotransformation rate increased with increasing initial concentration. At an initial concentration of 1,200 mg/L (8.7 mM) of the mixture of the five compounds, their biotransformation rate ranged from 0.85 to 2.34 mM/d. The anode coulombic efficiency was 44-69%, which is comparable to wastewater-fed MECs. The H2 yield varied from 0.26 to 0.42 g H2-COD/g COD removed in the anode, and the bioanode volume-normalized H2 production rate was 0.07-0.1 L/L-d. The major identified fermentation products that did not transform further were catechol and phenol. Acetate was the direct substrate for exoelectrogenesis. Current and H2 production were inhibited at an initial substrate concentration of 1,200 mg/L, resulting in acetate accumulation at a much higher level than that measured in other batch runs conducted with a lower initial concentration of the five compounds. The anode microbial community consisted of exoelectrogens, putative degraders of the five compounds, and syntrophic partners of exoelectrogens. The H2 production route demonstrated in this study has proven to be an alternative to the currently used process of reforming natural gas to supply H2 needed to upgrade bio-oils to stable hydrocarbon fuels.

  10. Secondary structure of rat and human amylin across force fields

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

    Hoffmann, Kyle Quynn; McGovern, Michael; Chiu, Chi -cheng; de Pablo, Juan J.; Paci, Emanuele

    2015-07-29

    The aggregation of human amylin has been strongly implicated in the progression of Type II diabetes. This 37-residue peptide forms a variety of secondary structures, including random coils, α-helices, and β-hairpins. The balance between these structures depends on the chemical environment, making amylin an ideal candidate to examine inherent biases in force fields. Rat amylin differs from human amylin by only 6 residues; however, it does not form fibrils. Therefore it provides a useful complement to human amylin in studies of the key events along the aggregation pathway. In this work, the free energy of rat and human amylin wasmore » determined as a function of α-helix and β-hairpin content for the Gromos96 53a6, OPLS-AA/L, CHARMM22/CMAP, CHARMM22*, Amberff99sb*-ILDN, and Amberff03w force fields using advanced sampling techniques, specifically bias exchange metadynamics. This work represents a first systematic attempt to evaluate the conformations and the corresponding free energy of a large, clinically relevant disordered peptide in solution across force fields. The NMR chemical shifts of rIAPP were calculated for each of the force fields using their respective free energy maps, allowing us to quantitatively assess their predictions. We show that the predicted distribution of secondary structures is sensitive to the choice of force-field: Gromos53a6 is biased towards β-hairpins, while CHARMM22/CMAP predicts structures that are overly α-helical. OPLS-AA/L favors disordered structures. Amberff99sb*-ILDN, AmberFF03w and CHARMM22* provide the balance between secondary structures that is most consistent with available experimental data. In contrast to previous reports, our findings suggest that the equilibrium conformations of human and rat amylin are remarkably similar, but that subtle differences arise in transient alpha-helical and beta-strand containing structures that the human peptide can more readily adopt. We hypothesize that these transient states enable dynamic pathways that facilitate the formation of aggregates and, eventually, amyloid fibrils.« less

  11. Biotransformation of furanic and phenolic compounds with hydrogen gas production in a microbial electrolysis cell

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

    Zeng, Xiaofei; Borole, Abhijeet P.; Pavlostathis, Spyros G.

    2015-10-27

    In this study, furanic and phenolic compounds are problematic byproducts resulting from the decomposition of lignocellulosic biomass during biofuel production. This study assessed the capacity of a microbial electrolysis cell (MEC) to produce hydrogen gas (H2) using a mixture of two furanic (furfural, FF; 5-hydroxymethyl furfural, HMF) and three phenolic (syringic acid, SA; vanillic acid, VA; and 4-hydroxybenzoic acid, HBA) compounds as the sole carbon and energy source in the bioanode. The rate and extent of biotransformation of the five compounds, efficiency of H2 production, as well as the anode microbial community structure were investigated. The five compounds were completelymore » transformed within 7-day batch runs and their biotransformation rate increased with increasing initial concentration. At an initial concentration of 1,200 mg/L (8.7 mM) of the mixture of the five compounds, their biotransformation rate ranged from 0.85 to 2.34 mM/d. The anode coulombic efficiency was 44-69%, which is comparable to wastewater-fed MECs. The H2 yield varied from 0.26 to 0.42 g H2-COD/g COD removed in the anode, and the bioanode volume-normalized H2 production rate was 0.07-0.1 L/L-d. The major identified fermentation products that did not transform further were catechol and phenol. Acetate was the direct substrate for exoelectrogenesis. Current and H2 production were inhibited at an initial substrate concentration of 1,200 mg/L, resulting in acetate accumulation at a much higher level than that measured in other batch runs conducted with a lower initial concentration of the five compounds. The anode microbial community consisted of exoelectrogens, putative degraders of the five compounds, and syntrophic partners of exoelectrogens. The H2 production route demonstrated in this study has proven to be an alternative to the currently used process of reforming natural gas to supply H2 needed to upgrade bio-oils to stable hydrocarbon fuels.« less

  12. The structure and IR signatures of the arginine-glutamate salt bridge. Insights from the classical MD simulations

    SciTech Connect (OSTI)

    Vener, M. V.; Odinokov, A. V.; Wehmeyer, C.; Sebastiani, D.

    2015-06-07

    Salt bridges and ionic interactions play an important role in protein stability, protein-protein interactions, and protein folding. Here, we provide the classical MD simulations of the structure and IR signatures of the arginine (Arg)glutamate (Glu) salt bridge. The Arg-Glu model is based on the infinite polyalanine antiparallel two-stranded ?-sheet structure. The 1 ?s NPT simulations show that it preferably exists as a salt bridge (a contact ion pair). Bidentate (the end-on and side-on structures) and monodentate (the backside structure) configurations are localized [Donald et al., Proteins 79, 898915 (2011)]. These structures are stabilized by the short {sup +}NH?O{sup ?} bonds. Their relative stability depends on a force field used in the MD simulations. The side-on structure is the most stable in terms of the OPLS-AA force field. If AMBER ff99SB-ILDN is used, the backside structure is the most stable. Compared with experimental data, simulations using the OPLS all-atom (OPLS-AA) force field describe the stability of the salt bridge structures quite realistically. It decreases in the following order: side-on > end-on > backside. The most stable side-on structure lives several nanoseconds. The less stable backside structure exists a few tenth of a nanosecond. Several short-living species (solvent shared, completely separately solvated ionic groups ion pairs, etc.) are also localized. Their lifetime is a few tens of picoseconds or less. Conformational flexibility of amino acids forming the salt bridge is investigated. The spectral signature of the Arg-Glu salt bridge is the IR-intensive band around 2200 cm{sup ?1}. It is caused by the asymmetric stretching vibrations of the {sup +}NH?O{sup ?} fragment. Result of the present paper suggests that infrared spectroscopy in the 20002800 frequency region may be a rapid and quantitative method for the study of salt bridges in peptides and ionic interactions between proteins. This region is usually not considered in spectroscopic studies of peptides and proteins.

  13. Secondary structure of rat and human amylin across force fields

    SciTech Connect (OSTI)

    Hoffmann, Kyle Quynn; McGovern, Michael; Chiu, Chi -cheng; de Pablo, Juan J.; Paci, Emanuele

    2015-07-29

    The aggregation of human amylin has been strongly implicated in the progression of Type II diabetes. This 37-residue peptide forms a variety of secondary structures, including random coils, α-helices, and β-hairpins. The balance between these structures depends on the chemical environment, making amylin an ideal candidate to examine inherent biases in force fields. Rat amylin differs from human amylin by only 6 residues; however, it does not form fibrils. Therefore it provides a useful complement to human amylin in studies of the key events along the aggregation pathway. In this work, the free energy of rat and human amylin was determined as a function of α-helix and β-hairpin content for the Gromos96 53a6, OPLS-AA/L, CHARMM22/CMAP, CHARMM22*, Amberff99sb*-ILDN, and Amberff03w force fields using advanced sampling techniques, specifically bias exchange metadynamics. This work represents a first systematic attempt to evaluate the conformations and the corresponding free energy of a large, clinically relevant disordered peptide in solution across force fields. The NMR chemical shifts of rIAPP were calculated for each of the force fields using their respective free energy maps, allowing us to quantitatively assess their predictions. We show that the predicted distribution of secondary structures is sensitive to the choice of force-field: Gromos53a6 is biased towards β-hairpins, while CHARMM22/CMAP predicts structures that are overly α-helical. OPLS-AA/L favors disordered structures. Amberff99sb*-ILDN, AmberFF03w and CHARMM22* provide the balance between secondary structures that is most consistent with available experimental data. In contrast to previous reports, our findings suggest that the equilibrium conformations of human and rat amylin are remarkably similar, but that subtle differences arise in transient alpha-helical and beta-strand containing structures that the human peptide can more readily adopt. We hypothesize that these transient states enable dynamic pathways that facilitate the formation of aggregates and, eventually, amyloid fibrils.

  14. REVIEW OF FAST FLUX TEST FACILITY (FFTF) FUEL EXPERIMENTS FOR STORAGE IN INTERIM STORAGE CASKS (ISC)

    SciTech Connect (OSTI)

    CHASTAIN, S.A.

    2005-10-24

    Appendix H, Section H.3.3.10.11 of the Final Safety Analysis Report (FSAR), provides the limits to be observed for fueled components authorized for storage in the Fast Flux Test Facility (FFTF) spent fuel storage system. Currently, the authorization basis allows standard driver fuel assemblies (DFA), as described in the FSAR Chapter 17, Section 17.5.3.1, to be stored provided decay power per assembly is {le} 250 watts, post-irradiation time is four years minimum, average assembly burn-up is 150,000 MWD/MTHM maximum and the pre-irradiation enrichment is 29.3% maximum (per H.3.3.10.11). In addition, driver evaluation (DE), core characterizer assemblies (CCA), and run-to-cladding-breach (RTCB) assemblies are included based on their similarities to a standard DFA. Ident-69 pin containers with fuel pins from these DFAs can also be stored. Section H.3.3.10.11 states that fuel types outside the specification criteria above will be addressed on a case-by-case basis. There are many different types of fuel and blanket experiments that were irradiated in the FFTF which now require offload to the spent fuel storage system. Two reviews were completed for a portion of these special type fuel components to determine if placement into the Core Component Container (CCC)/Interim Storage Cask (ISC) would require any special considerations or changes to the authorization basis. Project mission priorities coupled with availability of resources and analysts prevented these evaluations from being completed as a single effort. Areas of review have included radiological accident release consequences, radiological shielding adequacy, criticality safety, thermal limits, confinement, and stress. The results of these reviews are available in WHC-SD-FF-RPT-005, Rev. 0 and 1, ''Review of FFTF Fuel Experiments for Storage at ISA'', (Reference I), which subsequently allowed a large portion of these components to be included in the authorization basis (Table H.3.3-21). The report also identified additional components and actions in Section 3.0 and Table 3 that require further evaluation. The purpose of this report is to evaluate another portion of the remaining inventory (i.e., delayed neutron signal fuel, blanket assemblies, highly enriched assemblies, newly loaded Ident-69 pin containers, and returned fuel) to ensure it can be safely off loaded to the FFTF spent fuel storage system.

  15. EVALUATION OF MERCURY EMISSIONS FROM COAL-FIRED FACILITIES WITH SCR AND FGD SYSTEMS

    SciTech Connect (OSTI)

    J.A. Withum

    2006-03-07

    CONSOL Energy Inc., Research & Development (CONSOL), with support from the U.S. Department of Energy, National Energy Technology Laboratory (DOE) and the Electric Power Research Institute (EPRI), evaluated the effects of selective catalytic reduction (SCR) on mercury (Hg) capture in coal-fired plants equipped with an electrostatic precipitator (ESP)-wet flue gas desulfurization (FGD) combination or a spray dyer absorber-fabric filter (SDA-FF) combination. In this program CONSOL determined mercury speciation and removal at 10 bituminous coal-fired facilities; at four of these facilities, additional tests were performed on units without SCR, or with the existing SCR bypassed. This project final report summarizes the results and discusses the findings of the body of work as a whole. Eleven Topical Reports were issued (prior to this report) that describe in great detail the sampling results at each of the ten power plants individually. The results showed that the SCR-FGD combination removed a substantial fraction of mercury from flue gas. The coal-to-stack mercury removals ranged from 65% to 97% for the units with SCR and from 53% to 87% for the units without SCR. There was no indication that any type of FGD system was more effective at mercury removal than others. The coal-to-stack mercury removal and the removal in the wet scrubber were both negatively correlated with the elemental mercury content of the flue gas and positively correlated with the scrubber liquid chloride concentration. The coal chlorine content was not a statistically significant factor in either case. Mercury removal in the ESP was positively correlated with the fly ash carbon content and negatively correlated with the flue gas temperature. At most of the units, a substantial fraction (>35%) of the flue gas mercury was in the elemental form at the boiler economizer outlet. After passing through the SCR-air heater combination very little of the total mercury (<10%) remained in the elemental form in the flue gas; this was true for all SCR catalyst types and sources. Although chlorine has been suggested as a factor affecting the mercury speciation in flue gas, coal chlorine was not a statistically significant factor affecting mercury speciation at the economizer exit or at the air heater exit. The only statistically significant factors were the coal ash CaO content and the fly ash carbon content; the fraction of mercury in the elemental form at the economizer exit was positively correlated with both factors. In a direct comparison at four SCR-equipped units vs. similar units at the same sites without SCR (or with the SCR bypassed), the elemental mercury fractions (measured at the ESP outlet) were lower, and the coal-to-stack mercury removals were higher, when the SCR was present and operating. The average coal-to-stack mercury removal at the four units without an operating SCR was 72%, whereas the average removal at the same sites with operating SCRs was 88%. The unit mercury mass balance (a gauge of the overall quality of the tests) at all of the units ranged from 81% to 113%, which were within our QA/QC criterion of 80-120%.

  16. Rotationally resolved spectroscopy of a librational fundamental band of hydrogen fluoride tetramer

    SciTech Connect (OSTI)

    Blake, Thomas A.; Sharpe, Steven W.; Xantheas, Sotiris S.

    2000-07-08

    The rotationally resolved spectrum of a fundamental band of hydrogen fluoride tetramer has been recorded using a pulsed slit-jet, diode laser spectrometer. The band has a parallel rotational structure and is assigned as the H-F out-of-plane libration fundamental with A{sub u} symmetry. Ninety-five ground state combination differences were fit to a symmetric top Hamiltonian to give the following ground state rotational constants: B{sup ''}=0.132 081(7) cm{sup -1}, D{sub J}{sup ''}=7.1(7)x10{sup -7} cm{sup -1}, D{sub JK}{sup ''}=-9(2)x10{sup -7} cm{sup -1}, H{sub JJJ}{sup ''}=6(2)x10{sup -10} cm{sup -1}, H{sub JJK}{sup ''}=9(7)x10{sup -10} cm{sup -1}, H{sub JKK}{sup ''}=-1.3(8)x10{sup -10} cm{sup -1}. A total of 190 transitions were fit to determine the upper state spectroscopic constants: v{sub 4}=714.7849(1) cm{sup -1}, B{sup '}=0.129 634(5) cm{sup -1}, {delta}(C-B)=0.001 344 cm{sup -1}, D{sub J}{sup '}=6.4(5)x10{sup -7} cm{sup -1}, D{sub JK}{sup '}=-4.5(6)x10{sup -7} cm{sup -1}, {delta}D{sub K}=2.92(8)x10{sup -6} cm{sup -1}, H{sub JJJ}{sup '}=3(1)x10{sup -10} cm{sup -1}, H{sub JKK}{sup '}=-1.55(6)x10{sup -8} cm{sup -1}; {delta}H{sub KKK}=-4.65(6)x10{sup -8} cm{sup -1}. Furthermore, a perpendicular band centered at 752.7 cm{sup -1} was observed. The band has a rotational line spacing that gives an approximate B{sup ''} value of 0.132 cm{sup -1}; it has been assigned as the E{sub u} symmetry, H-F in-plane libration fundamental of the HF tetramer. Finally, a parallel band was observed at 741.0 cm{sup -1} with B{sup ''}=0.076 cm{sup -1} and has been assigned as the A{sup ''} symmetry, H-F out-of-plane libration fundamental of the HF pentamer. Structural parameters and harmonic vibrational frequencies are estimated from first-principles, correlated MP2 and CCSD(T) calculations. These are the largest calculations performed to date for this system with respect to both orbital basis set and level of electron correlation. The CCSD(T) harmonic frequencies are, in particular, the first reported for the tetramer at this level of theory. Based on our results, we suggest ''best estimates'' of R{sub FF}=2.51 Aa, r{sub HF}=0.947 Aa, and {theta}{sub HFF}=9.7 degree sign for the structural parameters and a range for D{sub e} of 27.4 to 28.1 kcal/mol (D{sub 0}=19.7 to 20.4 kcal/mol) for the parameters and for the energy of the tetramer dissociating into four monomers. (c) 2000 American Institute of Physics.

  17. Novel Approaches to Wide Bandgap CuInSe2 Based Absorbers

    SciTech Connect (OSTI)

    William N. Shafarman

    2011-04-28

    This project targeted the development of high performance wide bandgap solar cells based on thin film alloys of CuInSe2 to relax constraints on module design and enable tandem solar cell structures. This addressed goals of the Solar Energy Technologies Program for Next Generation PV to develop technology needed for higher thin film module efficiency as a means to reduce costs. Specific objectives of the research project were: 1) to develop the processes and materials required to improve the performance of wide bandgap thin film solar cells based on alloys of CuInSe2, and 2) to provide the fundamental science and engineering basis for the material, electronic, and device properties required to effectively apply these processes and materials to commercial manufacture. CuInSe2-based photovoltaics have established the highest efficiencies of the thin film materials at both the cell and module scales and are actively being scaled up to commercialization. In the highest efficiency cells and modules, the optical bandgap, a function of the CuInSe2-based alloy composition, is relatively low compared to the optimum match to the solar spectrum. Wider bandgap alloys of CuInSe2 produce higher cell voltages which can improve module performance and enable the development of tandem solar cells to boost the overall efficiency. A focus for the project was alloying with silver to form (AgCu)(InGa)Se2 pentenary thin films deposited by elemental co-evaporation which gives the broadest range of control of composition and material properties. This alloy has a lower melting temperature than Ag-free, Cu-based chalcopyrite compounds, which may enable films to be formed with lower defect densities and the (AgCu)(InGa)Se2 films give improved material properties and better device performance with increasing bandgap. A comprehensive characterization of optical, structural, and electronic properties of (AgCu)(InGa)Se2 was completed over the complete compositional range 0 ≤ Ga/(In+Ga) ≤ 1 and 0 ≤ Ag/(Ag+Cu) ≤ 1. Evidence of improved material quality includes reduced sub-bandgap optical absorption, sharper bandtails, and increased grain size with Ag addition. The Ag alloying was shown to increase the range of bandgaps over which solar cells can be fabricated without any drop-off in performance. With bandgap greater than 1.6 eV, in the range needed for tandem solar cells, (AgCu)(InGa)Se2 gave higher efficiency than other CuInSe2-based alloys. Using a simple single-stage co-evaporation process, a solar cell with 17.6% efficiency using a film with bandgap = 1.3 eV was achieved, demonstrating the viability of (AgCu)(InGa)Se2 for high efficiency devices. With a three-stage co-evaporation process for (AgCu)(InGa)Se2 deposition a device with efficiency = 13.0 % and VOC = 890 mV with JSC = 20.5 mA/cm2, FF = 71.3% was achieved. This surpasses the performance of other wide bandgap CuInSe2-based solar cells. Detailed characterization of the electronic properties of the materials and devices including the application of advanced admittance-based easements was completed.

  18. Closure Report for Corrective Action Unit 166: Storage Yards and Contaminated Materials, Nevada Test Site, Nevada

    SciTech Connect (OSTI)

    NSTec Environmental Restoration

    2009-08-01

    Corrective Action Unit (CAU) 166 is identified in the Federal Facility Agreement and Consent Order (FFACO) as 'Storage Yards and Contaminated Materials' and consists of the following seven Corrective Action Sites (CASs), located in Areas 2, 3, 5, and 18 of the Nevada Test Site: CAS 02-42-01, Condo Release Storage Yd - North; CAS 02-42-02, Condo Release Storage Yd - South; CAS 02-99-10, D-38 Storage Area; CAS 03-42-01, Conditional Release Storage Yard; CAS 05-19-02, Contaminated Soil and Drum; CAS 18-01-01, Aboveground Storage Tank; and CAS 18-99-03, Wax Piles/Oil Stain. Closure activities were conducted from March to July 2009 according to the FF ACO (1996, as amended February 2008) and the Corrective Action Plan for CAU 166 (U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office, 2007b). The corrective action alternatives included No Further Action and Clean Closure. Closure activities are summarized. CAU 166, Storage Yards and Contaminated Materials, consists of seven CASs in Areas 2, 3, 5, and 18 of the NTS. The closure alternatives included No Further Action and Clean Closure. This CR provides a summary of completed closure activities, documentation of waste disposal, and confirmation that remediation goals were met. The following site closure activities were performed at CAU 166 as documented in this CR: (1) At CAS 02-99-10, D-38 Storage Area, approximately 40 gal of lead shot were removed and are currently pending treatment and disposal as MW, and approximately 50 small pieces of DU were removed and disposed as LLW. (2) At CAS 03-42-01, Conditional Release Storage Yard, approximately 7.5 yd{sup 3} of soil impacted with lead and Am-241 were removed and disposed as LLW. As a BMP, approximately 22 ft{sup 3} of asbestos tile were removed from a portable building and disposed as ALLW, approximately 55 gal of oil were drained from accumulators and are currently pending disposal as HW, the portable building was removed and disposed as LLW, and accumulators, gas cylinders, and associated debris were removed and are currently pending treatment and disposal as MW. (3) At CAS 05-19-02, Contaminated Soil and Drum, as a BMP, an empty drum was removed and disposed as sanitary waste. (4) At CAS 18-01-01, Aboveground Storage Tank, approximately 165 gal of lead-impacted liquid were removed and are currently pending disposal as HW, and approximately 10 gal of lead shot and 6 yd{sup 3} of wax embedded with lead shot were removed and are currently pending treatment and disposal as MW. As a BMP, approximately 0.5 yd{sup 3} of wax were removed and disposed as hydrocarbon waste, approximately 55 gal of liquid were removed and disposed as sanitary waste, and two metal containers were grouted in place. (5) At CAS 18-99-03, Wax Piles/Oil Stain, no further action was required; however, as a BMP, approximately l.5 yd{sup 3} of wax were removed and disposed as hydrocarbon waste, and one metal container was grouted in place.

  19. Stability of CIGS Solar Cells and Component Materials Evaluated by a Step-Stress Accelerated Degradation Test Method: Preprint

    SciTech Connect (OSTI)

    Pern, F. J.; Noufi, R.

    2012-10-01

    A step-stress accelerated degradation testing (SSADT) method was employed for the first time to evaluate the stability of CuInGaSe2 (CIGS) solar cells and device component materials in four Al-framed test structures encapsulated with an edge sealant and three kinds of backsheet or moisture barrier film for moisture ingress control. The SSADT exposure used a 15oC and then a 15% relative humidity (RH) increment step, beginning from 40oC/40%RH (T/RH = 40/40) to 85oC/70%RH (85/70) as of the moment. The voluminous data acquired and processed as of total DH = 3956 h with 85/70 = 704 h produced the following results. The best CIGS solar cells in sample Set-1 with a moisture-permeable TPT backsheet showed essentially identical I-V degradation trend regardless of the Al-doped ZnO (AZO) layer thickness ranging from standard 0.12 ?m to 0.50 ?m on the cells. No clear 'stepwise' feature in the I-V parameter degradation curves corresponding to the SSADT T/RH/time profile was observed. Irregularity in I-V performance degradation pattern was observed with some cells showing early degradation at low T/RH < 55/55 and some showing large Voc, FF, and efficiency degradation due to increased series Rs (ohm-cm2) at T/RH ? 70/70. Results of (electrochemical) impedance spectroscopy (ECIS) analysis indicate degradation of the CIGS solar cells corresponded to increased series resistance Rs (ohm) and degraded parallel (minority carrier diffusion/recombination) resistance Rp, capacitance C, overall time constant Rp*C, and 'capacitor quality' factor (CPE-P), which were related to the cells? p-n junction properties. Heating at 85/70 appeared to benefit the CIGS solar cells as indicated by the largely recovered CPE-P factor. Device component materials, Mo on soda lime glass (Mo/SLG), bilayer ZnO (BZO), AlNi grid contact, and CdS/CIGS/Mo/SLG in test structures with TPT showed notable to significant degradation at T/RH ? 70/70. At T/RH = 85/70, substantial blistering of BZO layers on CIGS cell pieces was observed that was not seen on BZO/glass, and a CdS/CIGS sample displayed a small darkening and then flaking feature. Additionally, standard AlNi grid contact was less stable than thin Ni grid contact at T/RH ? 70/70. The edge sealant and moisture-blocking films were effective to block moisture ingress, as evidenced by the good stability of most CIGS solar cells and device components at T/RH = 85/70 for 704 h, and by preservation of the initial blue color on the RH indicator strips. The SSADT experiment is ongoing to be completed at T/RH = 85/85.

  20. Emissions, Monitoring and Control of Mercury from Subbituminous Coal-Fired Power Plants

    SciTech Connect (OSTI)

    Alan Bland; Kumar Sellakumar; Craig Cormylo

    2007-08-01

    The Subbituminous Energy Coalition (SEC) identified a need to re-test stack gas emissions from power plants that burn subbituminous coal relative to compliance with the EPA mercury control regulations for coal-fired plants. In addition, the SEC has also identified the specialized monitoring needs associated with mercury continuous emissions monitors (CEM). The overall objectives of the program were to develop and demonstrate solutions for the unique emission characteristics found when burning subbituminous coals. The program was executed in two phases; Phase I of the project covered mercury emission testing programs at ten subbituminous coal-fired plants. Phase II compared the performance of continuous emission monitors for mercury at subbituminous coal-fired power plants and is reported separately. Western Research Institute and a number of SEC members have partnered with Eta Energy and Air Pollution Testing to assess the Phase I objective. Results of the mercury (Hg) source sampling at ten power plants burning subbituminous coal concluded Hg emissions measurements from Powder River Basin (PBR) coal-fired units showed large variations during both ICR and SEC testing. Mercury captures across the Air Pollution Control Devices (APCDs) present much more reliable numbers (i.e., the mercury captures across the APCDs are positive numbers as one would expect compared to negative removal across the APCDs for the ICR data). Three of the seven units tested in the SEC study had previously shown negative removals in the ICR testing. The average emission rate is 6.08 lb/TBtu for seven ICR units compared to 5.18 lb/TBtu for ten units in the SEC testing. Out of the ten (10) SEC units, Nelson Dewey Unit 1, burned a subbituminous coal and petcoke blend thus lowering the total emission rate by generating less elemental mercury. The major difference between the ICR and SEC data is in the APCD performance and the mercury closure around the APCD. The average mercury removal values across the APCDs are 2.1% and 39.4% with standard deviations (STDs) of 1990 and 75%, respectively for the ICR and SEC tests. This clearly demonstrates that variability is an issue irrespective of using 'similar' fuels at the plants and the same source sampling team measuring the species. The study also concluded that elemental mercury is the main Hg specie that needs to be controlled. 2004 technologies such as activated carbon injection (ACI) may capture up to 60% with double digit lb/MMacf addition of sorbent. PRB coal-fired units have an Hg input of 7-15 lb/TBtu; hence, these units must operate at over 60% mercury efficiency in order to bring the emission level below 5.8 lb/TBtu. This was non-achievable with the best technology available as of 2004. Other key findings include: (1) Conventional particulate collectors, such as Cold-side Electro-Static Precipitators (CESPs), Hot-side Electro-Static Precipitator (HESP), and Fabric Filter (FF) remove nearly all of the particulate bound mercury; (2) CESPs perform better highlighting the flue gas temperature effect on the mercury removal. Impact of speciation with flue gas cooling is apparent; (3) SDA's do not help in enhancing adsorption of mercury vapor species; and (4) Due to consistently low chlorine values in fuels, it was not possible to analyze the impact of chlorine. In summary, it is difficult to predict the speciation at two plants that burn the same fuel. Non-fuel issues, such as flue gas cooling, impact the speciation and consequently mercury capture potential.

  1. Generation, Detection and characterization of Gas-Phase Transition Metal containing Molecules

    SciTech Connect (OSTI)

    Steimle, Timothy

    2015-12-15

    The objective of this project was to generate, detect, and characterize small, gas-phase, metal containing molecules. In addition to being relevant to high temperature chemical environments (e.g. plasmas and combustion), gas-phase experiments on metal containing molecules serve as the most direct link to a molecular-level theoretical model for catalysis. Catalysis (i.e. the addition of a small about of recoverable material to control the rate and direction of a chemical reaction) is critical to the petroleum and pharmaceutical industries as well as environmental remediation. Currently, the majority of catalytic materials are based on very expensive metals such as platinum (Pt), palladium (Pd), iridium (Ir,) rhenium (Re), and rhodium (Rh). For example, the catalyst used for converting linear hydrocarbon molecules (e.g. hexane) to cyclic molecules (e.g. cyclohexane) is a mixture of Pt and Re suspended on alumina. It enables straight chain alkanes to be converted into branched-chain alkanes, cyclohexanes and aromatic hydrocarbons which are used, amongst other things, to enhance the octane number of petrol. A second example is the heterogeneous catalysis used in automobile exhaust systems to: a) decrease nitrogen oxide; b) reduce carbon monoxide; and c) oxidize unburned hydrocarbons. The exhaust is vented through a high-surface area chamber lined with Pt, Pd, and Rh. For example, the carbon monoxide is catalytically converted to carbon dioxide by reaction with oxygen. The research results from this work have been published in readily accessible journals1-28. The ground and excited electronic state properties of small metal containing molecules that we determine were: a) electronic state distributions and lifetimes, b) vibrational frequencies, c) bond lengths and angles, d) hyperfine interactions, e) permanent electric dipole moments, mel, and f) magnetic dipoles, μm. In general terms, μel, gives insight into the charge distribution and mm into the number and nature of the unpaired electrons. Analysis of the hyperfine interactions (i.e. Fermi-contact, nuclear electric quadrupole, etc.) is particularly insightful because it results from the interaction of nuclei with non-zero spin and the chemically important valence electrons. The bulk of the spectroscopic techniques used in these studies exploit the sensitivity of laser induced fluorescence (LIF) detection. The spectroscopic schemes employed include: a) cw and pulsed laser field-free(FF) excitation and dispersed LIF (DLIF); b) optical Stark; c) optical Zeeman; d) pump/probe microwave double resonance (PPMODR); e) fluorescence lifetimes, and f) resonant and non-resonant two-photon ionization TOF mass spectrometry. Vibrational spacing, force constants and electronic states distributions are derived from the analysis of pulsed dye laser excitation and DLIF spectra. Geometric structure (bond lengths and angles) and hyperfine parameters are derived from the analysis of cw-laser LIF and PPMODR spectra. Permanent electric dipole moments, mel,, and magnetic dipole moments, mm, are derived from the analysis of optical Stark and Zeeman spectra, respectively. Transition moments are derived from the analysis of radiative lifetimes. A supersonic molecular beam sample of these ephemeral molecules is generated by skimming the products of either a laser ablation/reaction source or a d.c. discharge source.

  2. Strategies for Voltage Control and Transient Stability Assessment

    SciTech Connect (OSTI)

    Hiskens, Ian A.

    2013-09-25

    As wind generation grows, its influence on power system performance will becoming increasingly noticeable. Wind generation di#11;ffers from traditional forms of generation in numerous ways though, motivating the need to reconsider the usual approaches to power system assessment and performance enhancement. The project has investigated the impact of wind generation on transient stability and voltage control, identifying and addressing issues at three distinct levels of the power system: 1) at the device level, the physical characteristics of wind turbine generators (WTGs) are quite unlike those of synchronous machines, 2) at the wind-farm level, the provision of reactive support is achieved through coordination of numerous dissimilar devices, rather than straightforward generator control, and 3) from a systems perspective, the location of wind-farms on the sub-transmission network, coupled with the variability inherent in their power output, can cause complex voltage control issues. The project has sought to develop a thorough understanding of the dynamic behaviour of type-3 WTGs, and in particular the WECC generic model. The behaviour of such models is governed by interactions between the continuous dynamics of state variables and discrete events associated with limits. It was shown that these interactions can be quite complex, and may lead to switching deadlock that prevents continuation of the trajectory. Switching hysteresis was proposed for eliminating deadlock situations. Various type-3 WTG models include control blocks that duplicate integrators. It was shown that this leads to non-uniqueness in the conditions governing steady-state, and may result in pre- and post-disturbance equilibria not coinciding. It also gives rise to a zero eigenvalue in the linearized WTG model. In order to eliminate the anomalous behaviour revealed through this investigation, WECC has now released a new generic model for type-3 WTGs. Wind-farms typically incorporate a variety of voltage control equipment including tapchanging transformers, switched capacitors, SVCs, STATCOMs and the WTGs themselves. The project has considered the coordinated control of this equipment, and has addressed a range of issues that arise in wind-farm operation. The #12;first concerns the ability of WTGs to meet reactive power requirements when voltage saturation in the collector network restricts the reactive power availability of individual generators. Secondly, dynamic interactions between voltage regulating devices have been investigated. It was found that under certain realistic conditions, tap-changing transformers may exhibit instability. In order to meet cost, maintenance, fault tolerance and other requirements, it is desirable for voltage control equipment to be treated as an integrated system rather than as independent devices. The resulting high-level scheduling of wind-farm reactive support has been investigated. In addressing this control problem, several forms of future information were considered, including exact future knowledge and stochastic predictions. Deterministic and Stochastic Dynamic Programming techniques were used in the development of control algorithms. The results demonstrated that while exact future knowledge is very useful, simple prediction methods yield little bene#12;fit. The integration of inherently variable wind generation into weak grids, particularly subtransmission networks that are characterized by low X=R ratios, aff#11;ects bus voltages, regulating devices and line flows. The meshed structure of these networks adds to the complexity, especially when wind generation is distributed across multiple nodes. A range of techniques have been considered for analyzing the impact of wind variability on weak grids. Sensitivity analysis, based on the power-flow Jacobian, was used to highlight sections of a system that are most severely a#11;ffected by wind-power variations. A continuation power flow was used to determine parameter changes that reduce the impact of wind-power variability. It was also used to explore interactions between multiple wind-farms. Furthermore, these tools have been used to examine the impact of wind injection on transformer tap operation in subtransmission networks. The results of a tap operation simulation study show that voltage regulation at wind injection nodes increases tap change operations. The tradeo#11;ff between local voltage regulation and tap change frequency is fundamentally important in optimizing the size of reactive compensation used for voltage regulation at wind injection nodes. Line congestion arising as a consequence of variable patterns of wind-power production has also been investigated. Two optimization problems have been formulated, based respectively on the DC and AC power flow models, for identifying vulnerable line segments. The DC optimization is computationally more e#14;fficient, whereas the AC sensitivity-based optimization provides greater accuracy.