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  1. Advanced Vehicle Testing Activity (AVTA) - Vehicle Testing and...

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

    More Documents & Publications AVTA HEV, NEV, BEV and HICEV Demonstrations and Testing AVTA PHEV Demonstrations and Testing Advanced Vehicle Benchmarking of HEVs and PHEVs

  2. AVTA: Hydrogen Internal Combustion Engine Vehicle Specifications...

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

    Hydrogen Internal Combustion Engine Vehicle Specifications and Test Procedures AVTA: Hydrogen Internal Combustion Engine Vehicle Specifications and Test Procedures PDF icon HICEV ...

  3. AVTA: Chargepoint America | Department of Energy

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

    Chargepoint America AVTA: Chargepoint America ChargePoint America deployed 4,600 public and private charging stations in 9 metropolitan areas. ChargePoint America Recovery Act...

  4. AVTA: Bidirectional Fast Charging Report

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following report is an analysis of bi-directional fast charging, as informed by the AVTA's testing on plug-in electric vehicle charging equipment. This research was conducted by Idaho National Laboratory.

  5. AVTA: EVSE Testing - NYSERDA Electric Vehicle Charging Infrastructure...

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

    Testing - NYSERDA Electric Vehicle Charging Infrastructure Reports AVTA: EVSE Testing - NYSERDA Electric Vehicle Charging Infrastructure Reports The Vehicle Technologies Office's ...

  6. Vehicle Technologies Office AVTA: Light Duty Alternative Fuel and Advanced

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

    Vehicle Data | Department of Energy Office AVTA: Light Duty Alternative Fuel and Advanced Vehicle Data Vehicle Technologies Office AVTA: Light Duty Alternative Fuel and Advanced Vehicle Data The Vehicle Technologies Office (VTO) supports testing and data collection on a wide range of advanced and alternative fuel vehicles and technologies through the Advanced Vehicle Testing Activity (AVTA) . The following table has downloadable performance, reliability, and driver behavior data for selected

  7. Vehicle Technologies Office: Advanced Vehicle Testing Activity (AVTA) Data

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

    and Results | Department of Energy Vehicle Testing Activity (AVTA) Data and Results Vehicle Technologies Office: Advanced Vehicle Testing Activity (AVTA) Data and Results The Vehicle Technologies Office (VTO) supports work to develop test procedures and carry out testing on a wide range of advanced vehicles and technologies through the Advanced Vehicle Testing Activity (AVTA). This effort collects performance data from a wide range of light-duty alternative fuel and advanced technology

  8. AVTA: Plug-in Hybrid Electric Vehicle Specifications and Test...

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

    in Hybrid Electric Vehicle Specifications and Test Procedures AVTA: Plug-in Hybrid Electric Vehicle Specifications and Test Procedures Plug-in Hybrid Electric Vehicle Test Plan PDF ...

  9. AVTA: Transit Vehicle Specifications and Test Procedures | Department...

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

    Transit Vehicle Specifications and Test Procedures AVTA: Transit Vehicle Specifications and Test Procedures All Advanced Vehicle Testing Activity transit projects follow a rigorous ...

  10. AVTA: Airport Ground Support Equipment Specifications and Test...

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

    Airport Ground Support Equipment Specifications and Test Procedures AVTA: Airport Ground Support Equipment Specifications and Test Procedures PDF icon eGSE America Electric Baggage ...

  11. AVTA: Battery Testing - Best Practices for Responding to Emergency...

    Office of Environmental Management (EM)

    The following report describes best practices for responding to emergency incidents involving plug-in electric vehicle batteries, based on the AVTA's testing of PEV batteries. This ...

  12. Vehicle Technologies Office - AVTA: All Electric USPS Long Life...

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

    USPS Long Life Vehicle Conversions Vehicle Technologies Office - AVTA: All Electric USPS Long Life Vehicle Conversions The Vehicle Technologies Office's Advanced Vehicle Testing ...

  13. AVTA: Blink AC Level 2 Charging System Testing Results | Department of

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

    Energy Blink AC Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory. PDF icon Blink AC Level 2 - February 2012 More Documents & Publications AVTA: Aerovironment AC Level 2 Charging System Testing Results AVTA: Clipper Creek AC Level 2 Charging System Testing Results AVTA: Eaton AC Level 2 Charging System Testing Results

  14. AVTA: Hasdec DC Fast Charging Testing Results | Department of Energy

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

    Energy GE Smart Grid Capable AC Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory. PDF icon GE Smart Grid Capable AC Level 2 - January 2014 More Documents & Publications AVTA: Aerovironment AC Level 2 Charging System Testing Results AVTA: Siemens-VersiCharge

    Hasdec DC fast charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory. PDF icon DC Conductive EVSE Testing - Hasetec DC

  15. First-Principles Investigation of Nanopore Sequencing Using Variable

    Office of Scientific and Technical Information (OSTI)

    Voltage Bias on Graphene-Based Nanoribbons (Journal Article) | SciTech Connect First-Principles Investigation of Nanopore Sequencing Using Variable Voltage Bias on Graphene-Based Nanoribbons Citation Details In-Document Search Title: First-Principles Investigation of Nanopore Sequencing Using Variable Voltage Bias on Graphene-Based Nanoribbons Authors: McFarland, Hannah L. ; Ahmed, Towfiq ; Zhu, Jian-Xin ; Balatsky, Alexander V. ; Haraldsen, Jason T. Publication Date: 2015-07-02 OSTI

  16. First-principles investigation on mechanical, electronic, and thermodynamic

    Office of Scientific and Technical Information (OSTI)

    properties of Mg{sub 2}Sr under high pressure (Journal Article) | SciTech Connect First-principles investigation on mechanical, electronic, and thermodynamic properties of Mg{sub 2}Sr under high pressure Citation Details In-Document Search Title: First-principles investigation on mechanical, electronic, and thermodynamic properties of Mg{sub 2}Sr under high pressure The structural, mechanical, electronic, and thermodynamic properties of Mg{sub 2}Sr with C14-type structure under pressures

  17. AVTA Voltec AC Level 1 and Level 2 Charging Systems Testing Results |

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

    Department of Energy testing done on the Voltec Level 1 and Level 2 charging systems for plug-in electric vehicles. This research was conducted by Idaho National Laboratory. PDF icon Voltec AC Level 1 - November 2012 PDF icon Voltec AC Level 2 - October 2012 More Documents & Publications AVTA: Eaton AC Level 2 Charging System Testing Results AVTA: Aerovironment AC Level 2 Charging System Testing Results AVTA: Siemens-VersiCharge AC Level 2 Charging System Testing Results

  18. AVTA: ChargePoint AC Level 2 Charging System Testing Results | Department

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

    of Energy ChargePoint AC Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory. PDF icon ChargePoint AC Level 2 - February 2012 More Documents & Publications AVTA: EVSE Charging Protocol for On and Off-Peak Demand AVTA: 2012 Chevrolet Volt PHEV Downloadable Dynamometer Database Reports AVTA: ChargePoint America Recovery Act project map of charging units

  19. AVTA: Leviton AC Level 2 Charging System Testing Results | Department of

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

    Energy describes results from testing done on the Leviton Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory. PDF icon Leviton AC Level 2 - February 2012 More Documents & Publications AVTA: Eaton AC Level 2 Charging System Testing Results AVTA: Aerovironment AC Level 2 Charging System Testing Results AVTA: Siemens-VersiCharge AC Level 2 Charging System Testing Results

  20. Vehicle Technologies Office: AVTA- Diesel Internal Combusion Engine Vehicles

    Broader source: Energy.gov [DOE]

    The Advanced Vehicle Testing Activity (AVTA) uses standard procedures and test specifications to test and collect data from vehicles on dynamometers, closed test tracks, and on-the-road. Downloadable data on the following vehicles is available: 2014 Chevrolet Cruze Diesel, 2013 Volkswagen Jetta TDI, and 2009 Volkswagen Jetta TDI.

  1. Vehicle Technologies Office: AVTA- Neighborhood All-Electric Vehicles

    Broader source: Energy.gov [DOE]

    The Advanced Vehicle Testing Activity (AVTA) uses standard procedures and test specifications to test and collect data from vehicles on dynamometers, closed test tracks, and on-the-road. Data on the following vehicles is available in downloadable form: 2013 BRP Commander Electric, 2010 Electric Vehicles International E-Mega, 2009 Vantage Pickup EVX1000, and 2009 Vantage Van EVC1000.

  2. Vehicle Technologies Office: AVTA- Compressed Natural Gas Vehicles

    Broader source: Energy.gov [DOE]

    The Advanced Vehicle Testing Activity (AVTA) uses standard procedures and test specifications to test and collect data from vehicles on dynamometers, closed test tracks, and on-the-road. Data on the 2012 Honda Civic CNG is available in downloadable form.

  3. AVTA: Clipper Creek AC Level 2 Charging System Testing Results | Department

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

    of Energy ClipperCreek AC Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory. PDF icon Clipper Creek AC Level 2 - February 2012 More Documents & Publications AVTA: Aerovironment AC Level 2 Charging System Testing Results AVTA: Eaton

  4. AVTA: Eaton AC Level 2 Charging System Testing Results | Department of

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

    Energy Eaton AC Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory. PDF icon Eaton AC Level 2 - February 2012 More Documents & Publications AVTA: Aerovironment AC Level 2 Charging System Testing Results AVTA: Clipper Creek

  5. Vehicle Technologies Office: AVTA - Electric Vehicle Community and Fleet

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

    Readiness Data and Reports | Department of Energy Community and Fleet Readiness Data and Reports Vehicle Technologies Office: AVTA - Electric Vehicle Community and Fleet Readiness Data and Reports Making plug-in electric vehicles (PEVs, also known as electric cars) as affordable and convenient as conventional vehicles, as described in the EV Everywhere Grand Challenge, requires understanding both their technical and market barriers. Municipalities and organizations are working to overcome

  6. AVTA: Aerovironment AC Level 2 Charging System Testing Results | Department

    Energy Savers [EERE]

    of Energy Aerovironment AC Level 2 Charging System Testing Results AVTA: Aerovironment AC Level 2 Charging System Testing Results The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following report describes

  7. AVTA: Airport Ground Support Equipment Specifications and Test Procedures |

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

    Department of Energy Airport Ground Support Equipment Specifications and Test Procedures AVTA: Airport Ground Support Equipment Specifications and Test Procedures PDF icon eGSE America Electric Baggage Tow Tractor (EBTT) Technical Specifications PDF icon eGSE America Electric Aircraft PushBack Tractor (EAPT) Technical Specifications PDF icon eGSE America Electric Aircraft Cargo Conveyor (EACC) Technical Specifications PDF icon ETA-GAC001 Control, Close-out, and Storage of Documentation PDF

  8. AVTA: Full-Size Electric Vehicle Specifications and Test Procedures |

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

    Department of Energy Full-Size Electric Vehicle Specifications and Test Procedures AVTA: Full-Size Electric Vehicle Specifications and Test Procedures PDF icon EV America Test Specifications PDF icon ETA-TP001 Implementation of SAE Standard J1263, February 1996 - Road Load Measurement and Dynamometer Simulation Using Coastdown Techniques PDF icon ETA-TP002 Implementation of SAE Standard J1666, May 1993 - Electric Vehicle Acceleration, Gradeability, and Deceleration Test Procedure PDF icon

  9. AVTA: Hybrid Electric Vehicle Specifications and Test Procedures |

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

    Department of Energy Hybrid Electric Vehicle Specifications and Test Procedures AVTA: Hybrid Electric Vehicle Specifications and Test Procedures PDF icon Fleet Test and Evaluation Procedure PDF icon HEVAmerica Technical Specifications PDF icon HEV Baseline Test Sequence PDF icon HEV End of Life Test Sequence PDF icon ETA-HTP01 Implementation of SAE Standard J1263 February 1996 - Road Load Measurement and Dynamometer Simulation Using Coastdown Techniques PDF icon ETA-HTP02 Implementation of

  10. AVTA: Hydrogen Internal Combustion Engine Vehicle Specifications and Test

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

    Procedures | Department of Energy Hydrogen Internal Combustion Engine Vehicle Specifications and Test Procedures AVTA: Hydrogen Internal Combustion Engine Vehicle Specifications and Test Procedures PDF icon HICEV Technical Specifications PDF icon HICEV America Test Sequence PDF icon ETA-HITP01 Implementation of SAE Standard J1263 - Road Load Measurements and Dynamometer Simulation Using Coast Down Techniques PDF icon ETA-HITP02 Implementation of SAE Standard J1666 May93 - HICE Vehicle

  11. AVTA: Neighborhood Electric Vehicle Specifications and Test Procedures |

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

    Department of Energy Neighborhood Electric Vehicle Specifications and Test Procedures AVTA: Neighborhood Electric Vehicle Specifications and Test Procedures PDF icon NEVAmerica Technical Specifications PDF icon NEVAmerica Test Sequence PDF icon ETA-NTP002 Implementation of SAE Standard J1666 May 93 - Electric Vehicle Acceleration, Gradeability, and Deceleration Test Procedure PDF icon ETA-NTP004 Electric Vehicle Constant Speed Range Test PDF icon ETA-NTP005 Electric Vehicle Rough Road Course

  12. AVTA: Urban Electric Vehicle Specifications and Test Procedures |

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

    Department of Energy Urban Electric Vehicle Specifications and Test Procedures AVTA: Urban Electric Vehicle Specifications and Test Procedures PDF icon UEVAmerica Specifications PDF icon ETA-UTP001 Implementation of SAE Standard J1263, Feb. 1996 - Road Load Measurement and Dynamometer Simulation Using Coastdown Techniques PDF icon ETA-UTP002 Implementation of SAE Standard J1666, May 1993 - Electric Vehicle Acceleration, Gradeability, and Deceleration Test Procedure PDF icon ETA-UTP003

  13. AVTA: Vehicle to EVSE Smart Grid Communications Report | Department of

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

    Energy All Advanced Vehicle Testing Activity transit projects follow a rigorous data collection and analysis protocol. Refer to "General Evaluation Plan: Fleet Test and Evaluation Projects" for information about fleet selection, data collection, and products related to new evaluation projects. More Documents & Publications Vehicle Technologies Office: 2010 Vehicle and Systems Simulation and Testing R&D Annual Progress Report AVTA HEV, NEV, BEV and HICEV Demonstrations and

  14. Vehicle Technologies Office: AVTA – Medium and Heavy Duty Vehicle Data and Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office supports work to collect extensive data on light-duty, medium-duty and heavy-duty vehicles through the Advanced Vehicle Testing Activity  (AVTA). Idaho National...

  15. AVTA: Plug-in Hybrid Electric Vehicle Specifications and Test Procedures |

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

    Department of Energy in Hybrid Electric Vehicle Specifications and Test Procedures AVTA: Plug-in Hybrid Electric Vehicle Specifications and Test Procedures Plug-in Hybrid Electric Vehicle Test Plan PDF icon DRAFT - Integrated Test Plan and Evaluation Program for Review for Plug-in Hybrid Electric Vehicles (PHEVs) More Documents & Publications AVTA: Hybrid Electric Vehicle Specifications and Test Procedures Vehicle Technologies Office: 2010 Vehicle and Systems Simulation and Testing

  16. AVTA: Schneider AC Level 2 Charging System Testing Results | Department of

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

    Department of Energy Plug-in Hybrid Electric Vehicle Test Plan PDF icon DRAFT - Integrated Test Plan and Evaluation Program for Review for Plug-in Hybrid Electric Vehicles (PHEVs) More Documents & Publications AVTA: Hybrid Electric Vehicle Specifications and Test Procedures Vehicle Technologies Office: 2010 Vehicle and Systems Simulation and Testing R&D Annual Progress Report AVTA: 2011 Chevrolet Volt Testing Results

    SPX Level 2 charging system for plug-in electric vehicles. This

  17. First-principles investigation of Nitrosyl formation in zirconia

    SciTech Connect (OSTI)

    Yu, Z.G.; Zhang, J.; Singh, David J; Wu, Ping

    2012-01-01

    We report first-principles calculations aimed at understanding the properties of nitrogen in ZrO{sub 2}. We find that interstitial N occurs covalently bonded to O in the form of NO units, in contrast to previous expectations of a N substitutional for O. This reveals a different chemistry for N in ZrO{sub 2} and perhaps other highly stable oxide species. This leads to a natural oxygen vacancy formation mechanism in ZrO{sub 2} in the presence of nitrogen.

  18. First-principles investigation on mechanical, electronic, and...

    Office of Scientific and Technical Information (OSTI)

    of Mgsub 2Sr under high pressure The ... Cauchy pressure, melting points, and hardness ... under various pressures were investigated. Debye temperature and the ...

  19. Vehicle Technologies Office: AVTA- Start-Stop (Micro) Hybrid Vehicles Performance Data

    Broader source: Energy.gov [DOE]

    The Advanced Vehicle Testing Activity (AVTA) uses standard procedures and test specifications to test and collect data from vehicles on dynamometers, closed test tracks, and on-the-road. Performance and testing data on the stop-start hybrid versions of the following vehicles is available: 2010 Smart Fortwo, 2010 Volkswagen Golf Diesel, and 2010 Mazda3 Hatchback.

  20. Vehicle Technologies Office: AVTA- All-Electric Vehicle (Car) Performance Data

    Broader source: Energy.gov [DOE]

    The Advanced Vehicle Testing Activity (AVTA) uses standard procedures and test specifications to test and collect data from vehicles on dynamometers, closed test tracks, and on-the-road. Downloadable performance and testing data on the all-electric versions of the following vehicles is available: 2014 Smart Electric Drive Coupe, 2013 Ford Focus, 2013 Nissan Leaf, 2012 Mitsubishi i-MiEV, 2012 Nissan Leaf, 2011 Nissan Leaf, 2010 USPS eLLV Conversions, and 2009 BMW Mini-E.

  1. Vehicle Technologies Office: AVTA - Plug-in Electric Vehicle On-Road

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

    Demonstration Data | Department of Energy Plug-in Electric Vehicle On-Road Demonstration Data Vehicle Technologies Office: AVTA - Plug-in Electric Vehicle On-Road Demonstration Data Through the American Recovery and Reinvestment Act, the Vehicle Technologies Office (VTO) accelerated the electrification of the nation's vehicle fleet. VTO invested $400 million in 18 projects to demonstrate plug-in electric vehicles (PEVs, also known as electric cars) and infrastructure, including 10

  2. AVTA: GE Smart Grid Capable AC Level 2 Testing Results | Department of

    Energy Savers [EERE]

    Incidents in Plug-in Electric Vehicles (EV) | Department of Energy Battery Testing - Best Practices for Responding to Emergency Incidents in Plug-in Electric Vehicles (EV) AVTA: Battery Testing - Best Practices for Responding to Emergency Incidents in Plug-in Electric Vehicles (EV) The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results

  3. AVTA: SPX AC Level 2 Charging System Testing Results | Department of Energy

    Energy Savers [EERE]

    SPX AC Level 2 Charging System Testing Results AVTA: SPX AC Level 2 Charging System Testing Results The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following report describes results from testing done on the SPX

  4. AVTA: Plug-In Hybrid Electric School Buses | Department of Energy

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

    In Hybrid Electric School Buses AVTA: Plug-In Hybrid Electric School Buses The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following set of reports describes data collected from testing several plug-in hybrid

  5. Vehicle Technologies Office: AVTA- Evaluating Military Bases and Fleet Readiness for Electric Vehicles

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. Through the AVTA, Idaho National Laboratory also does fleet and other analysis to evaluate readiness for plug-in electric vehicles and other advanced technology vehicles. The following reports describe analysis studies Idaho National Laboratory conducted for the military to evaluate readiness for plug-in electric vehicles.

  6. Vehicle Technologies Office: AVTA- Hybrid Electric Vehicles Performance and Testing Data

    Broader source: Energy.gov [DOE]

    The Advanced Vehicle Testing Activity (AVTA) uses standard procedures and test specifications to test and collect data from vehicles on dynamometers, closed test tracks, and on-the-road. This page provides data on the hybrid electric versions of the Volkswagen Jetta, Ford C-Max, Chevrolet Malibu, Honda Civic, Hyundai Sonata, Honda CRZ, Honda Civic with Advanced Experimental Ultra Lead Acid Battery, Mercedes Benz, Toyota Prius Gen III, Ford Fusion, Honda Insight and Honda CR-Z.

  7. AVTA: EVSE Charging Protocol for On and Off-Peak Demand

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following report is a description of development of a charge protocol to take advantage of off and on-peak demand economics at facilities, as informed by the AVTA's testing on plug-in electric vehicle charging equipment. This research was conducted by Idaho National Laboratory.

  8. Vehicle Technologies Office: AVTA- Plug-In Hybrid Electric Vehicles Performance and Testing Data

    Broader source: Energy.gov [DOE]

    The Advanced Vehicle Testing Activity (AVTA) uses standard procedures and test specifications to test and collect data from vehicles on dynamometers, closed test tracks, and on-the-road. Data on the plug-in hybrid electric version of the following vehicles is available: 2013 Ford Fusion Energi, 2013 Ford C-Max Energi Fleet, 2013 Ford C-Max Energi, 2012 Chevrolet Volt, 2012 Toyota Prius, 2013 Toyota Prius, 2013 Chevrolet Volt, 2011 Chrysler Town & Country, 2010 Quantum Escape, and 2010 Ford Escape Advanced Research Vehicle.

  9. AVTA: Vehicle to Grid Power Flow Regulations and Building Codes Review

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following report is a review of Vehicle-to-Grid power flow regulations and building codes, as informed by the AVTA's testing on plug-in electric vehicle charging equipment. This research was conducted by Idaho National Laboratory.

  10. AVTA: Reports on Plug-in Electric Vehicle Readiness at 3 DOD Facilities

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports analyze data and survey results on readiness for the use of plug-in electric vehicles on the Naval Air Station Jacksonville, Naval Station Mayport, and Joint Base Lewis McChord, as informed by the AVTA's testing on plug-in electric vehicle charging equipment. This research was conducted by Idaho National Laboratory.

  11. AVTA: Battery Testing- Electric Drive and Advanced Battery and Components Testbed

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The AVTA runs the Electric Drive and Advanced Battery and Components Testbed to capture batteries’ real-world performance. The Testbed simulates battery charging as well as on-road driving. Researchers run the Testbed on a daily basis on cycles that represent typical driving and charging patterns. This research was conducted by Idaho National Laboratory.

  12. First principles investigation of Ti adsorption and migration on Si(100) surfaces

    SciTech Connect (OSTI)

    Briquet, Ludovic G. V.; Wirtz, Tom; Philipp, Patrick

    2013-12-28

    The titanium adsorption on Si(100) is investigated using first principles computer modelling methods. Two new subsurface adsorption sites are described. They are located at the edge of the cavity topped by a surface silicon dimer. The migration of the titanium from the surface to the subsurface sites is facilitated when occurring via one of these sites. The ejection of one of the silicon atoms forming the surface dimer is also investigated. The actual step of the ejection requires more energy than previously thought although, when considering the global picture of a titanium atom on the surface leading to the ejection of a silicon atom, the overall rate is compensated by the facilitated migration of the titanium to the subsurface sites. The consecutive adsorption of a second and third titanium atom is also investigated. It is shown that titanium grows evenly on the surface in normal condition, showing no intermixing of the titanium and silicon beyond the silicon layer.

  13. First principles DFT investigation of yttrium-doped graphene: Electronic structure and hydrogen storage

    SciTech Connect (OSTI)

    Desnavi, Sameerah; Chakraborty, Brahmananda; Ramaniah, Lavanya M.

    2014-04-24

    The electronic structure and hydrogen storage capability of Yttrium-doped grapheme has been theoretically investigated using first principles density functional theory (DFT). Yttrium atom prefers the hollow site of the hexagonal ring with a binding energy of 1.40 eV. Doping by Y makes the system metallic and magnetic with a magnetic moment of 2.11 ?{sub B}. Y decorated graphene can adsorb up to four hydrogen molecules with an average binding energy of 0.415 eV. All the hydrogen atoms are physisorbed with an average desorption temperature of 530.44 K. The Y atoms can be placed only in alternate hexagons, which imply a wt% of 6.17, close to the DoE criterion for hydrogen storage materials. Thus, this system is potential hydrogen storage medium with 100% recycling capability.

  14. AVTA: Battery Testing- Best Practices for Responding to Emergency Incidents in Plug-in Electric Vehicles (EV)

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following report describes best practices for responding to emergency incidents involving plug-in electric vehicle batteries, based on the AVTA's testing of PEV batteries. This research was conducted by Idaho National Laboratory.

  15. AVTA- ARRA

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following report describes lessons learned about the consumer charging behavior from the EV Project. The EV Project partnered with city, regional and state governments, utilities, and other organizations in 16 cities to deploy about 14,000 Level 2 PEV chargers and 300 DC fast chargers. It also deployed 5,700 all-electric Nissan Leafs and 2,600 plug-in hybrid electric Chevrolet Volts. This research was conducted by Idaho National Laboratory.

  16. First principles investigation of the initial stage of H-induced...

    Office of Scientific and Technical Information (OSTI)

    The pathway of H diffusion that will induce the migration of Pd atom is investigated by ... While the H diffusion triggers the migration of Pd atom, it is the latter process that ...

  17. Investigation of structural stability and elastic properties of Zrh and Zrh{sub 2}: A first principles study

    SciTech Connect (OSTI)

    Kanagaprabha, S.; Rajeswarapalanichamy, R. Sudhapriyanga, G. Murugan, A. Santhosh, M.; Iyakutti, K.

    2014-04-24

    The electronic, structural and mechanical properties of ZrH and ZrH{sub 2} are investigated by means of first principles calculation based on density functional theory as implemented in VASP code with generalized gradient approximation. The calculated ground state properties are in good agreement with previous experimental and other theoretical results. Among the six crystallographic structures considered for ZrH, ZB phase is found to be the most stable phase, whereas ZrH{sub 2} is energetically stable in tetragonal structure at ambient condition. A structural phase transition from ZB→NaCl at a pressure 10 GPa is predicted for ZrH.

  18. First principles investigation of the initial stage of H-induced missing-row reconstruction of Pd(110) surface

    SciTech Connect (OSTI)

    Padama, Allan Abraham B. [Department of Applied Physics, Osaka University, Suita, Osaka 565-0871 (Japan); Kasai, Hideaki, E-mail: kasai@dyn.ap.eng.osaka-u.ac.jp [Department of Applied Physics, Osaka University, Suita, Osaka 565-0871 (Japan); Center for Atomic and Molecular Technologies, Osaka University, Suita, Osaka 565-0871 (Japan)

    2014-06-28

    The pathway of H diffusion that will induce the migration of Pd atom is investigated by employing first principles calculations based on density functional theory to explain the origin of missing-row reconstruction of Pd(110).The calculated activation barrier and the H-induced reconstruction energy reveal that the long bridge-to-tetrahedral configuration is the energetically favored process for the initial stage of reconstruction phenomenon. While the H diffusion triggers the migration of Pd atom, it is the latter process that significantly contributes to the activated missing-row reconstruction of Pd(110). Nonetheless, the strong interaction between the diffusing H and the Pd atoms dictates the occurrence of reconstructed surface.

  19. First-principles investigation on Rydberg and resonance excitations: A case study of the firefly luciferin anion

    SciTech Connect (OSTI)

    Noguchi, Yoshifumi Hiyama, Miyabi; Akiyama, Hidefumi; Koga, Nobuaki

    2014-07-28

    The optical properties of an isolated firefly luciferin anion are investigated by using first-principles calculations, employing the many-body perturbation theory to take into account the excitonic effect. The calculated photoabsorption spectra are compared with the results obtained using the time-dependent density functional theory (TDDFT) employing the localized atomic orbital (AO) basis sets and a recent experiment in vacuum. The present method well reproduces the line shape at the photon energy corresponding to the Rydberg and resonance excitations but overestimates the peak positions by about 0.5 eV. However, the TDDFT-calculated positions of some peaks are closer to those of the experiment. We also investigate the basis set dependency in describing the free electron states above vacuum level and the excitons involving the transitions to the free electron states and conclude that AO-only basis sets are inaccurate for free electron states and the use of a plane wave basis set is required.

  20. Phase stability, mechanical properties, hardness, and possible reactive routing of chromium triboride from first-principle investigations

    SciTech Connect (OSTI)

    Zhong, Ming-Min; Kuang, Xiao-Yu Wang, Zhen-Hua; Shao, Peng; Ding, Li-Ping; Huang, Xiao-Fen

    2013-12-21

    The first-principles calculations are employed to provide a fundamental understanding of the structural features and relative stability, mechanical and electronic properties, and possible reactive route for chromium triboride. The predicted new phase of CrB{sub 3} belongs to the rhombohedral phase with R-3m symmetry and it transforms into a hexagonal phase with P-6m2 symmetry at 64 GPa. The mechanical and thermodynamic stabilities of CrB{sub 3} are verified by the calculated elastic constants and formation enthalpies. Also, the full phonon dispersion calculations confirm the dynamic stability of predicted CrB{sub 3}. Considering the role of metallic contributions, the calculated hardness values from our semiempirical method for rhombohedral and hexagonal phases are 23.8 GPa and 22.1 GPa, respectively. In addition, the large shear moduli, Young's moduli, low Poisson's ratios, and small B/G ratios indicate that they are potential hard materials. Relative enthalpy calculations with respect to possible constituents are also investigated to assess the prospects for phase formation and an attempt at high-pressure synthesis is suggested to obtain chromium triboride.

  1. First-principles investigations of Ni3Al(111) and NiAl(110) surfaces at metal dusting conditions

    SciTech Connect (OSTI)

    Saadi, Souheil

    2011-03-01

    We investigate the structure and surface composition of the {gamma}{prime}-Ni{sub 3}Al(111) and {beta}-NiAl(110) alloy surfaces at conditions relevant for metal dusting corrosion related to catalytic steam reforming of natural gas. In regular service as protective coatings, nickel-aluminum alloys are protected by an oxide scale, but in case of oxide scale spallation, the alloy surface may be directly exposed to the reactive gas environment and vulnerable to metal dusting. By means of density functional theory and thermochemical calculations for both the Ni{sub 3}Al and NiAl surfaces, the conditions under which CO and OH adsorption is to be expected and under which it is inhibited, are mapped out. Because CO and OH are regarded as precursors for nucleating graphite or oxide on the surfaces, phase diagrams for the surfaces provide a simple description of their stability. Specifically, this study shows how the CO and OH coverages depend on the steam to carbon ratio (S/C) in the gas and thereby provide a ranking of the carbon limits on the different surface phases.

  2. Thermodynamic and mechanical stabilities of α- and β-Ta{sub 4}AlC{sub 3} via first-principles investigations

    SciTech Connect (OSTI)

    Thawabi, Hassan S. Duong, Thien Arróyave, Raymundo

    2013-12-07

    Recently, it has been predicted that Ta{sub 4}AlC{sub 3} is likely to exhibit an (α–β) polymorphic transformation at temperatures above 1873 K. However, recent X-ray diffraction and transmission electron microscopy experiments suggest on the other hand that the α phase remains stable up to temperatures close to the limit of experimental capabilities and no transition has yet been observed. While the matter has already been settled experimentally, in this work, we re-investigate the phase stability problem in Ta{sub 4}AlC{sub 3} by using first-principles methods. The study was carried out by considering both thermodynamic and mechanical stabilities of the Ta{sub 4}AlC{sub 3} polymorphs. Particularly, finite-temperature Gibbs free energies and elastic properties of the polymorphs were calculated using density functional theory. Calculation results reveal that the α phase continue to be stable even at temperatures exceeding 1875 K, which is in agreement with experimental results reported in literature.

  3. AVTA: The EV Project

    Broader source: Energy.gov [DOE]

    The EV Project partnered with city, regional and state governments, utilities, and other organizations in 18 cities to deploy about 12,500 public and residential charging stations.  It also...

  4. INVESTIGATING THE MINIMUM ENERGY PRINCIPLE IN SEARCHES FOR NEW MOLECULAR SPECIESTHE CASE OF H{sub 2}C{sub 3}O ISOMERS

    SciTech Connect (OSTI)

    Loomis, Ryan A.; McGuire, Brett A.; Remijan, Anthony J.; Shingledecker, Christopher; Johnson, Chelen H.; Blair, Samantha; Robertson, Amy

    2015-01-20

    Recently, Lattelais et al. have interpreted aggregated observations of molecular isomers to suggest that there exists a ''minimum energy principle'', such that molecular formation will favor more stable molecular isomers for thermodynamic reasons. To test the predictive power of this principle, we have fully characterized the spectra of the three isomers of C{sub 3}H{sub 2}O toward the well-known molecular region SgrB2(N). Evidence for the detection of the isomers cyclopropenone (c-C{sub 3}H{sub 2}O) and propynal (HCCCHO) is presented, along with evidence for the non-detection of the lowest zero-point energy isomer, propadienone (CH{sub 2}CCO). We interpret these observations as evidence that chemical formation pathways, which may be under kinetic control, have a more pronounced effect on final isomer abundances than thermodynamic effects such as the minimum energy principle.

  5. Magnetic anisotropy in Ta/CoFeB/MgO investigated by x-ray magnetic circular dichroism and first-principles calculation

    SciTech Connect (OSTI)

    Kanai, Shun; Tsujikawa, Masahito; Shirai, Masafumi; Miura, Yoshio; Matsukura, Fumihiro Ohno, Hideo

    2014-12-01

    We study the spin and orbital magnetic moments in Ta/Co{sub 0.4}Fe{sub 0.4}B{sub 0.2}/MgO by x-ray magnetic circular dichroism measurements as well as first-principles calculations, in order to clarify the origin of the perpendicular magnetic anisotropy. Both experimental and theoretical results show that orbital magnetic moment of Fe is more anisotropic than that of Co with respect to the magnetization direction. The anisotropy is larger for thinner CoFeB, indicating that Fe atoms at the interface with MgO contribute more than Co to the observed perpendicular magnetic anisotropy.

  6. Chemical partitioning for the Co--Pr system: First-principles, experiments and energetic calculations to investigate the hard magnetic phase

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

    Zhou, S. H.; Kramer, M. J.; Meng, F. Q.; McCallum, R. W.; Ott, R. T.

    2015-11-14

    Co5Pr-D2d is promising permanent magnet. Due to its peritectic formation feature, there is a synthetic challenge to produce single Co5Pr-D2d phase. The object of our study is to assess thermodynamic pathways for crystalline phases under far-from-equilibrium conditions by combining first-principles calculations and experimental measurements into a robust description of the thermodynamic behavior. The energetic calculations, temperature and time dependent phase selections are predicted under varying degrees of chemical partitioning. Our calculation to assess the chemical partitioning-temperatures indicates that the major magnetic compounds: Co17Pr2-α, Co5Pr-D2d, Co19Pr5-β, and Co7Pr2-χ form from a congruent manner to eutectic reactions with decreasing cooling rate. Themore » compositions of the compounds from these highly driven liquids can be far from equilibrium.« less

  7. Chemical partitioning for the CoPr system: First-principles, experiments and energetic calculations to investigate the hard magnetic phase

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

    Zhou, S. H.; Kramer, M. J.; Meng, F. Q.; McCallum, R. W.; Ott, R. T.

    2015-11-14

    Co5Pr-D2d is promising permanent magnet. Due to its peritectic formation feature, there is a synthetic challenge to produce single Co5Pr-D2d phase. The object of our study is to assess thermodynamic pathways for crystalline phases under far-from-equilibrium conditions by combining first-principles calculations and experimental measurements into a robust description of the thermodynamic behavior. The energetic calculations, temperature and time dependent phase selections are predicted under varying degrees of chemical partitioning. Our calculation to assess the chemical partitioning-temperatures indicates that the major magnetic compounds: Co17Pr2-?, Co5Pr-D2d, Co19Pr5-?, and Co7Pr2-? form from a congruent manner to eutectic reactions with decreasing cooling rate. Themorecompositions of the compounds from these highly driven liquids can be far from equilibrium.less

  8. Chemical partitioning for the Co--Pr system: First-principles, experiments and energetic calculations to investigate the hard magnetic phase

    SciTech Connect (OSTI)

    Zhou, S. H.; Kramer, M. J.; Meng, F. Q.; McCallum, R. W.; Ott, R. T.

    2015-11-14

    Co5Pr-D2d is promising permanent magnet. Due to its peritectic formation feature, there is a synthetic challenge to produce single Co5Pr-D2d phase. The object of our study is to assess thermodynamic pathways for crystalline phases under far-from-equilibrium conditions by combining first-principles calculations and experimental measurements into a robust description of the thermodynamic behavior. The energetic calculations, temperature and time dependent phase selections are predicted under varying degrees of chemical partitioning. Our calculation to assess the chemical partitioning-temperatures indicates that the major magnetic compounds: Co17Pr2-α, Co5Pr-D2d, Co19Pr5-β, and Co7Pr2-χ form from a congruent manner to eutectic reactions with decreasing cooling rate. The compositions of the compounds from these highly driven liquids can be far from equilibrium.

  9. First-principles investigation of the electronic and Li-ion diffusion properties of LiFePO{sub 4} by sulfur surface modification

    SciTech Connect (OSTI)

    Xu, Guigui E-mail: zghuang@fjnu.edu.cn; Zhong, Kehua; Zhang, Jian-Min; Huang, Zhigao E-mail: zghuang@fjnu.edu.cn

    2014-08-14

    We present a first-principles calculation for the electronic and Li-ion diffusion properties of the LiFePO{sub 4} (010) surface modified by sulfur. The calculated formation energy indicates that the sulfur adsorption on the (010) surface of the LiFePO{sub 4} is energetically favored. Sulfur is found to form Fe-S bond with iron. A much narrower band gap (0.67 eV) of the sulfur surface-modified LiFePO{sub 4} [S-LiFePO{sub 4} (010)] is obtained, indicating the better electronic conductive properties. By the nudged elastic band method, our calculations show that the activation energy of Li ions diffusion along the one-dimensional channel on the surface can be effectively reduced by sulfur surface modification. In addition, the surface diffusion coefficient of S-LiFePO{sub 4} (010) is estimated to be about 10{sup −11} (cm{sup 2}/s) at room temperature, which implies that sulfur modification will give rise to a higher Li ion carrier mobility and enhanced electrochemical performance.

  10. First-principles investigation of thermodynamic, elastic and electronic properties of Al{sub 3}V and Al{sub 3}Nb intermetallics under pressures

    SciTech Connect (OSTI)

    Chen, Zhe; Zhang, Peng; Chen, Dong; Wu, Yi; Wang, Mingliang Ma, Naiheng; Wang, Haowei

    2015-02-28

    The thermodynamic, elastic, and electronic properties of D0{sub 22}-type Al{sub 3}V and Al{sub 3}Nb intermetallics were studied using the first-principle method. The results showed the pressure has profound effects on the structural, mechanical and electronic properties in both Al{sub 3}V and Al{sub 3}Nb. Thermodynamically, the formation enthalpies for Al{sub 3}V and Al{sub 3}Nb were derived, which agreed well with available experimental and theoretical values. Comparably, Al{sub 3}Nb was a more stable phase with the more negative H{sub f} than Al{sub 3}V. Mechanically, the calculated elastic constants showed linearly increasing tendencies, and satisfied the Born's criteria from 020?GPa, indicating the mechanically stability of Al{sub 3}V and Al{sub 3}Nb under this pressure range. Further, the mechanical parameters (i.e., bulk modulus (B), shear modulus (G), and Young's modulus (E)) were derived using the Voigt-Reuss-Hill (VRH) method, and in good agreement with available experimental results at the ground state. All these parameters presented the linearly increasing dependences on the external pressure. The B/G ratios and Poisson's ratio indicated that the Al{sub 3}V and Al{sub 3}Nb crystals should exhibit brittle behavior at 020?GPa. Additionally, the bulk modulus can be obtained through fitting the Birch-Murnaghan equation (B{sub 0}), computing by VRH method (B{sub H}), and deriving from the elastic theory (B{sub relax}) in both intermetallics. The uniformity of these calculated bulk moduli in each compound exhibited the excellent reliability and self-consistency. In addition, Debye temperature was estimated from the average sound velocity. The Debye temperature showed an increasing dependence on the pressures. Finally, through density of states analysis, Al{sub 3}V and Al{sub 3}Nb were suggested to possess naturally metallic behavior. Under pressures, it was noted that the shapes of peaks and pseudogaps exhibited relative few changes, suggesting Al{sub 3}V and Al{sub 3}Nb has kept structurally stable up to 20 GPa. At zero pressure, Al{sub 3}Nb was considered as a more structurally stable phase with the more number of bonding electrons per atom than Al{sub 3}V. This conclusion was in consistent with the one drawn from the thermodynamic analysis.

  11. Electronic properties of III-nitride semiconductors: A first-principles investigation using the Tran-Blaha modified Becke-Johnson potential

    SciTech Connect (OSTI)

    Araujo, Rafael B. Almeida, J. S. de Ferreira da Silva, A.

    2013-11-14

    In this work, we use density functional theory to investigate the influence of semilocal exchange and correlation effects on the electronic properties of III-nitride semiconductors considering zinc-blende and wurtzite crystal structures. We find that the inclusion of such effects through the use of the Tran-Blaha modified Becke-Johnson potential yields an excellent description of the electronic structures of these materials giving energy band gaps which are systematically larger than the ones obtained with standard functionals such as the generalized gradient approximation. The discrepancy between the experimental and theoretical band gaps is then significantly reduced with semilocal exchange and correlation effects. However, the effective masses are overestimated in the zinc-blende nitrides, but no systematic trend is found in the wurtzite compounds. New results for energy band gaps and effective masses of zinc-blende and wurtzite indium nitrides are presented.

  12. First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups

    SciTech Connect (OSTI)

    Li, Yang; Tu, Xingchen; Wang, Hao; Hou, Shimin; Sanvito, Stefano

    2015-04-28

    The electronic efficiency and binding energy of contacts formed between graphene electrodes and poly-aromatic hydrocarbon (PAH) anchoring groups have been investigated by the non-equilibrium Greens function formalism combined with density functional theory. Our calculations show that PAH molecules always bind in the interior and at the edge of graphene in the AB stacking manner, and that the binding energy increases following the increase of the number of carbon and hydrogen atoms constituting the PAH molecule. When we move to analyzing the electronic transport properties of molecular junctions with a six-carbon alkyne chain as the central molecule, the electronic efficiency of the graphene-PAH contacts is found to depend on the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the corresponding PAH anchoring group, rather than its size. To be specific, the smaller is the HOMO-LUMO gap of the PAH anchoring group, the higher is the electronic efficiency of the graphene-PAH contact. Although the HOMO-LUMO gap of a PAH molecule depends on its specific configuration, PAH molecules with similar atomic structures show a decreasing trend for their HOMO-LUMO gap as the number of fused benzene rings increases. Therefore, graphene-conjugated molecule-graphene junctions with high-binding and high-conducting graphene-PAH contacts can be realized by choosing appropriate PAH anchor groups with a large area and a small HOMO-LUMO gap.

  13. First-principles investigation of the dissociation and coupling of methane on small copper clusters: Interplay of collision dynamics and geometric and electronic effects

    SciTech Connect (OSTI)

    Varghese, Jithin J.; Mushrif, Samir H.

    2015-05-14

    Small metal clusters exhibit unique size and morphology dependent catalytic activity. The search for alternate minimum energy pathways and catalysts to transform methane to more useful chemicals and carbon nanomaterials led us to investigate collision induced dissociation of methane on small Cu clusters. We report here for the first time, the free energy barriers for the collision induced activation, dissociation, and coupling of methane on small Cu clusters (Cu{sub n} where n = 2–12) using ab initio molecular dynamics and metadynamics simulations. The collision induced activation of the stretching and bending vibrations of methane significantly reduces the free energy barrier for its dissociation. Increase in the cluster size reduces the barrier for dissociation of methane due to the corresponding increase in delocalisation of electron density within the cluster, as demonstrated using the electron localisation function topology analysis. This enables higher probability of favourable alignment of the C–H stretching vibration of methane towards regions of high electron density within the cluster and makes higher number of sites available for the chemisorption of CH{sub 3} and H upon dissociation. These characteristics contribute in lowering the barrier for dissociation of methane. Distortion and reorganisation of cluster geometry due to high temperature collision dynamics disturb electron delocalisation within them and increase the barrier for dissociation. Coupling reactions of CH{sub x} (x = 1–3) species and recombination of H with CH{sub x} have free energy barriers significantly lower than complete dehydrogenation of methane to carbon. Thus, competition favours the former reactions at high hydrogen saturation on the clusters.

  14. AVTA: ARRA EV Project Overview

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following document describes the context of the EV Project, which partnered with city, regional and state governments, utilities, and other organizations in 16 cities to deploy about 14,000 Level 2 PEV chargers and 300 DC fast chargers. It also deployed 5,700 all-electric Nissan Leafs and 2,600 plug-in hybrid electric Chevrolet Volts. This research was conducted by Idaho National Laboratory.

  15. AVTA Vehicle Component Cost Model

    Broader source: Energy.gov [DOE]

    2010 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C.

  16. AVTA: Chrysler RAM PHEV Pickups

    Broader source: Energy.gov [DOE]

    Chrysler tested and deployed 140 demonstration Chrysler RAM plug-in hybrid electric pick-up trucks around the country.

  17. Inner Area Principles

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

    Inner Area Principles The Inner Area principles proposed by the Tri-Parties are a good beginning toward consideration of what kind of approach will be needed to remedy the problems of the Central Plateau. However, the Board feels that some principles have been overlooked in the preparation of these. [1] While it has been generally agreed that designated waste disposal facilities of the Inner Area (like ERDF and IDF) would not be candidates for remediation. What happened to the remedial approach

  18. Suspensions: Basic principles

    SciTech Connect (OSTI)

    Schramm, L.L.

    1996-12-31

    This paper introduces the occurrence, properties, and importance of suspensions in the petroleum industry. The principles of colloid science are central to an understanding of these suspensions. These principles may be applied to suspensions in different ways to achieve quite different results: a stable useful suspension in one application and the destabilization of an undesirable suspension in another. 55 refs., 19 figs., 2 tabs.

  19. Mach's holographic principle

    SciTech Connect (OSTI)

    Khoury, Justin; Parikh, Maulik

    2009-10-15

    Mach's principle is the proposition that inertial frames are determined by matter. We put forth and implement a precise correspondence between matter and geometry that realizes Mach's principle. Einstein's equations are not modified and no selection principle is applied to their solutions; Mach's principle is realized wholly within Einstein's general theory of relativity. The key insight is the observation that, in addition to bulk matter, one can also add boundary matter. Given a space-time, and thus the inertial frames, we can read off both boundary and bulk stress tensors, thereby relating matter and geometry. We consider some global conditions that are necessary for the space-time to be reconstructible, in principle, from bulk and boundary matter. Our framework is similar to that of the black hole membrane paradigm and, in asymptotically anti-de Sitter space-times, is consistent with holographic duality.

  20. GENERAL PRINCIPLES OF AGREEMENT

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

    GENERAL PRINCIPLES OF AGREEMENT HWB-14-20 and HWB-14-21 These General Principles of Agreement ("Principles of Agreement") are agreed upon by the New Mexico Environment Department ("NMED"), and the United States Department of Energy ("DOE"), Los Alamos National Security, LLC ("LANS"), and Nuclear Waste Partnership, LLC ("NWP") (collectively, with DOE and LANS, the "DOE Permittees") for the purpose of resolving Compliance Order Nos.

  1. Energy Literacy Essential Principle #5

    SciTech Connect (OSTI)

    2015-03-11

    Energy Literacy Essential Principle #5: Energy decisions are influenced by economic, political, environmental, and social factors.

  2. Energy Literacy Essential Principle #1

    SciTech Connect (OSTI)

    2014-12-02

    Energy Literacy Essential Principle #1: Energy is a physical quantity that follows precise natural laws.

  3. Energy Literacy Essential Principle #3

    SciTech Connect (OSTI)

    2014-12-02

    Energy Literacy Essential Principle #3: Biological processes depend on energy flow through the Earth system.

  4. Energy Literacy Essential Principle #6

    SciTech Connect (OSTI)

    2015-03-12

    Energy Literacy Essential Principle #6: The amount of energy used by human society depends on many factors.

  5. Energy Literacy Essential Principle #7

    SciTech Connect (OSTI)

    2015-03-11

    Energy Literacy Essential Principle #7: The quality of life of individuals and societies is affected by energy choices.

  6. Energy Literacy Essential Principle #2

    SciTech Connect (OSTI)

    2014-12-02

    Energy Literacy Essential Principle #2: Physical processes on Earth are the result of energy flow through the Earth system.

  7. Underlying Quality Principles

    Broader source: Energy.gov [DOE]

    These principles are consistent with Integrated Safety Management Policy, P 450.4A and support ISM implementation. 1. Define Policies and Objectives--Ensure they are Understood and Accepted. Management must set expectations for the organization as a whole before employees can do their jobs, satisfy their customers, and strive to improve the quality of their work. This is accomplished by developing and implementing specific policies and objectives that reflect the operating philosophy of the facility's management. Once these policies and objectives have been established, all managers must take the necessary actions to ensure that each employee shares their vision of the organization's purpose.

  8. First-principle investigations of K{sub 2}NiF{sub 4}-type double perovskite oxides La{sub 4}B?B?O{sub 8} (B?B??=?Fe, Co, Ni)

    SciTech Connect (OSTI)

    Mao, Hejie; Wei, Yingfen; Gui, Hong; Li, Xin; Zhao, Zhenjie Xie, Wenhui

    2014-06-07

    The K{sub 2}NiF{sub 4}-type structure La{sub 4}CoNiO{sub 8} (LCNO), La{sub 4}FeCoO{sub 8} (LFCO), and La{sub 4}FeNiO{sub 8} (LFNO) are studied by using the first-principle electronic structure calculations. Our results indicate that the ground state of LCNO is a ferrimagnetism (FiM) with a large energy gap about 1.9?eV, LFCO and LFNO are antiferromagnetism with energy gaps about 1.3 and 1.4?eV, respectively. Their orthorhombic distortions, out-of-plane elongation, and tilting of octahedron are discussed. It is indicated that LFCO and LFNO have stronger crystal distortion than LCNO. Our calculations indicate that the in-plane magnetic exchange interaction of LCNO is much stronger than LFCO and LFNO, thus LCNO should have much higher magnetic ordering temperature than LFCO and LFNO.

  9. Dynamical principles in neuroscience

    SciTech Connect (OSTI)

    Rabinovich, Mikhail I.; Varona, Pablo; Selverston, Allen I.; Abarbanel, Henry D. I.

    2006-10-15

    Dynamical modeling of neural systems and brain functions has a history of success over the last half century. This includes, for example, the explanation and prediction of some features of neural rhythmic behaviors. Many interesting dynamical models of learning and memory based on physiological experiments have been suggested over the last two decades. Dynamical models even of consciousness now exist. Usually these models and results are based on traditional approaches and paradigms of nonlinear dynamics including dynamical chaos. Neural systems are, however, an unusual subject for nonlinear dynamics for several reasons: (i) Even the simplest neural network, with only a few neurons and synaptic connections, has an enormous number of variables and control parameters. These make neural systems adaptive and flexible, and are critical to their biological function. (ii) In contrast to traditional physical systems described by well-known basic principles, first principles governing the dynamics of neural systems are unknown. (iii) Many different neural systems exhibit similar dynamics despite having different architectures and different levels of complexity. (iv) The network architecture and connection strengths are usually not known in detail and therefore the dynamical analysis must, in some sense, be probabilistic. (v) Since nervous systems are able to organize behavior based on sensory inputs, the dynamical modeling of these systems has to explain the transformation of temporal information into combinatorial or combinatorial-temporal codes, and vice versa, for memory and recognition. In this review these problems are discussed in the context of addressing the stimulating questions: What can neuroscience learn from nonlinear dynamics, and what can nonlinear dynamics learn from neuroscience?.

  10. Lighting Principles and Terms | Department of Energy

    Energy Savers [EERE]

    Principles and Terms Lighting Principles and Terms Light quantity, energy consumption, and light quality are the basic principles of lighting. | Photo courtesy of

  11. 7 Energy Literacy Principles | Department of Energy

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

    7 Energy Literacy Principles 7 Energy Literacy Principles 7 Energy Literacy Principles File sevenprinciplesslide.pptx More Documents & Publications Energy Literacy 7 Energy ...

  12. 7 Energy Literacy Principles | Department of Energy

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

    7 Energy Literacy Principles 7 Energy Literacy Principles 7 Energy Literacy Principles File sevenprinciplesslide.pptx More Documents & Publications Energy Literacy Introduction ...

  13. Energy Literacy Essential Principle #4

    SciTech Connect (OSTI)

    2014-12-02

    Energy Literacy Essential Principle #4: Various sources of energy can be used to power human activities, and often this energy must be transferred from source to destination.

  14. Principle Power | Open Energy Information

    Open Energy Info (EERE)

    Zip: 94120 Sector: Renewable Energy Product: Principle Power is a global independent power producer committed to delivering green, sustainable products through financing and...

  15. Guiding Principles for Successfully Implementing Industrial Energy...

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

    INDUSTRIAL TECHNOLOGIES PROGRAM Guiding Principles for Successfully Implementing Industrial Energy Assessment Recommendations April 2011 (DRAFT) Acknowledgement Guiding Principles ...

  16. Guiding Principles for Successfully Implementing Industrial Energy...

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

    Guiding Principles for Successfully Implementing Industrial Energy Assessment Recommendations Guiding Principles for Successfully Implementing Industrial Energy Assessment ...

  17. AVTA: 2012 CNG Honda Civic Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2012 Compressed Natural Gas Honda Civic GX. Baseline and other data collected at Idaho National Laboratory is in the attached documents. Baseline data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  18. AVTA: ARRA EV Project Annual Infrastructure Reports

    Broader source: Energy.gov [DOE]

    These reports summarize charging behavior of drivers that participated in the EV Project, which deployed 14,000 Level 2 PEV chargers and 300 fast chargers.

  19. AVTA: ARRA EV Project Overview Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following reports provide summary overviews of the EV Project, which partnered with city, regional and state governments, utilities, and other organizations in 16 cities to deploy about 14,000 Level 2 PEV chargers and 300 DC fast chargers. It also deployed 5,700 all-electric Nissan Leafs and 2,600 plug-in hybrid electric Chevrolet Volts. Background data on how this data was collected is in the EV Project: About the Reports. This research was conducted by Idaho National Laboratory.

  20. AVTA: 2010 Quantum Escape PHEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2010 Quantum Escape PHEV, an experimental model not currently for sale. The baseline performance testing provides a point of comparison for the other test results. Taken together, these reports give an overall view of how this vehicle functions under extensive testing. This research was conducted by Idaho National Laboratory.

  1. Vehicle Technologies Office: AVTA - Electric Vehicle Community...

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

    their permitting processes, training first responders, planning on where to place charging infrastructure to maximize usage, educating the public and coordinating with utilities. ...

  2. AVTA: 2011 Hyundai Sonata HEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2011 Hyundai Sonata hybrid electric vehicle. Baseline data, which provides a point of comparison for the other test results, was collected at two different research laboratories. Baseline and other data collected at Idaho National Laboratory is in the attached documents. Baseline and battery testing data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  3. AVTA: 2013 Toyota Prius PHEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a Toyota Prius PHEV 2013. Baseline and battery testing data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). The reports for download here are based on research done at Idaho National Laboratory. Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  4. AVTA: 2013 Chevrolet Volt Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2013 Chevrolet Volt. Baseline and battery testing data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). The reports for download here are based on research done at Idaho National Laboratory. Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  5. AVTA: 2011 Chevrolet Volt Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a Chevrolet Volt 2011. The baseline performance testing provides a point of comparison for the other test results. Taken together, these reports give an overall view of how this vehicle functions under extensive testing. This research was conducted by Idaho National Laboratory.

  6. AVTA: 2011 Honda CRZ HEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2011 Honda CRZ hybrid electric vehicle. The baseline performance testing provides a point of comparison for the other test results. Taken together, these reports give an overall view of how this vehicle functions under extensive testing. This research was conducted by Idaho National Laboratory.

  7. AVTA: 2010 Honda Insight HEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2010 Honda Insight hybrid-electric vehicle. Baseline and other data collected at Idaho National Laboratory is in the attached documents. Baseline and battery testing data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  8. AVTA: 2013 Chevrolet Malibu HEV Testing Results

    Broader source: Energy.gov [DOE]

    VTO's National Laboratories have tested and collected both dynamometer and fleet data for the Chevy Malibu HEV (a hybrid electric vehicle).

  9. AVTA: 2013 Honda Civic HEV Testing Results

    Broader source: Energy.gov [DOE]

    VTO's National Laboratories have tested and collected both dynamometer and fleet data for the Honda Civic HEV (a hybrid electric vehicle).

  10. AVTA: 2010 Ford Fusion HEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2010 Ford Fusion hybrid-electric vehicle. Baseline data, which provides a point of comparison for the other test results, was collected at two different research laboratories. Baseline and other data collected at Idaho National Laboratory is in the attached documents. Baseline and battery testing data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  11. AVTA: ARRA EV Project Vehicle Placement Maps

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following maps describe where the EV Project deployed 5,700 all-electric Nissan Leafs and 2,600 plug-in hybrid electric Chevrolet Volts. Background data on how this data was collected is in the EV Project: About the Reports. This research was conducted by Idaho National Laboratory.

  12. AVTA: 2010 Mercedes Benz HEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2010 Mercedes Benz hybrid-electric vehicle. The baseline performance testing provides a point of comparison for the other test results. Taken together, these reports give an overall view of how this vehicle functions under extensive testing. This research was conducted by Idaho National Laboratory.

  13. AVTA … PHEV Demonstrations and Testing

    Broader source: Energy.gov [DOE]

    2010 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C.

  14. Vehicle Technologies Office: AVTA - Evaluating National Parks...

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

    Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  15. Vehicle Technologies Office: AVTA - Evaluating Military Bases...

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

    Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  16. Vehicle Technologies Office: AVTA - Electric Vehicle Charging...

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

    2014 Leviton AC Level 2 - February 2012 Schneider Electric AC Level 2 - November 2012 Siemens-VersiCharge AC Level 2 - November 2012 SPX AC Level 2 - February 2012 Voltec AC Level ...

  17. Multiple Motivations Institutional Change Principle

    Broader source: Energy.gov [DOE]

    The multiple motivations principle suggests that a portfolio approach—rather than a single strategy—may be required to achieve change. Research demonstrates that people and institutions adopt new...

  18. First-principles investigations on the magnetic property in tripotassi...

    Office of Scientific and Technical Information (OSTI)

    of Publication: United States Language: English Subject: catalysis (heterogeneous), solar (photovoltaic), phonons, thermoelectric, energy storage (including batteries and...

  19. First-Principles Investigation of Nanopore Sequencing Using Variable...

    Office of Scientific and Technical Information (OSTI)

    Authors: McFarland, Hannah L. ; Ahmed, Towfiq ; Zhu, Jian-Xin ; Balatsky, Alexander V. ; Haraldsen, Jason T. Publication Date: 2015-07-02 OSTI Identifier: 1191345 GrantContract ...

  20. Extrapolating dynamic leidenfrost principles to metallic nanodroplets on

    Office of Scientific and Technical Information (OSTI)

    asymmetrically textured surfaces (Journal Article) | SciTech Connect Extrapolating dynamic leidenfrost principles to metallic nanodroplets on asymmetrically textured surfaces Citation Details In-Document Search Title: Extrapolating dynamic leidenfrost principles to metallic nanodroplets on asymmetrically textured surfaces In an effort to enhance our knowledge on how to control the movement of metallic nanodroplets, here we have used classical molecular dynamics simulations to investigate

  1. Design Principles for Materials with Magnetic Functionality ...

    Office of Scientific and Technical Information (OSTI)

    Design Principles for Materials with Magnetic Functionality Citation Details In-Document Search Title: Design Principles for Materials with Magnetic Functionality This report ...

  2. Energy Literacy: Essential Principles and Fundamental Concepts...

    Energy Savers [EERE]

    Energy Literacy: Essential Principles and Fundamental Concepts for Energy Education Energy Literacy: Essential Principles and Fundamental Concepts for Energy Education Energy...

  3. American Evaluation Association Guiding Principles for Evaluators...

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

    American Evaluation Association Guiding Principles for Evaluators, 2004 Five principles developed by American Evaluation Associ intended to guide professional practice of ...

  4. ADR Principles of Conduct | Department of Energy

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

    Principles of Conduct ADR Principles of Conduct This document briefly discusses 7 principles that, if followed by all parties to a mediation, significantly enhance the probablity of finding a mutually agreed upon solution to almost any dispute. PDF icon OCPR-HQ-010 Final - ADR Principles of Conflct Resolution.pdf More Documents & Publications Mediation Process Employee Reminders Management Reminders

  5. American Evaluation Association Guiding Principles for Evaluators

    SciTech Connect (OSTI)

    None

    2009-01-18

    Five principles developed by American Evaluation Associ intended to guide professional practice of evaluators & to inform evaluation clients and the general public about principles they can expect to be upheld by professional evaluators.

  6. Lighting Principles and Terms | Department of Energy

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

    Principles and Terms Lighting Principles and Terms Light quantity, energy consumption, and light quality are the basic principles of lighting. | Photo courtesy of <a href="http://www.flickr.com/photos/tadsonbussey/272521111/">Tadson Bussey</a>. Light quantity, energy consumption, and light quality are the basic principles of lighting. | Photo courtesy of Tadson Bussey. To choose the best energy-efficient lighting options for your home, you should understand basic lighting

  7. Institutional Change Principles for Fostering Sustainability | Department

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

    of Energy Principles for Fostering Sustainability Institutional Change Principles for Fostering Sustainability The following eight principles serve as the foundational building blocks for developing strategies to achieve institutional change-but they are not the strategies themselves. They are derived from academic literature and inform the framework for achieving institutional change in a federal organization. Each statement is followed by a general strategy for how the principle can be

  8. Guiding Principles for Successfully Implementing Industrial Energy

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

    Assessment Recommendations | Department of Energy Guiding Principles for Successfully Implementing Industrial Energy Assessment Recommendations Guiding Principles for Successfully Implementing Industrial Energy Assessment Recommendations This implementation guide provides key principles and activities that will lead to the successful implementation of recommendations during energy assessments. PDF icon Implementation Guidebook (April 2011) More Documents & Publications Unveiling the

  9. Management Principles for Nonproliferation Organizations

    SciTech Connect (OSTI)

    Frazar, Sarah L.; Hund, Gretchen

    2012-03-06

    This paper identifies business models and six management principles that can be applied by a nonproliferation organization to maximize the value and effectiveness of its products. The organizations responsible for reducing the nuclear proliferation threat have experienced a substantial growth in responsibility and visibility since the September 11 attacks. Since then, the international community has witnessed revelations of clandestine nuclear facilities, nuclear black markets, periodic nuclear tests, and a resurgence of interest by countries worldwide in developing nuclear capabilities. The security environment will likely continue to evolve in unexpected ways since most of the proliferation threats with which the world will be forced to contend remain unforeseen. To better prepare for and respond to this evolving security environment, many nonproliferation organizations are interested in finding new or better ways to increase the effectiveness and efficiency of their operations. Of course, all organizations, whether they are market driven or non-profit, must operate effectively and efficiently if they are to succeed. Indeed, as this study demonstrates, many of the management principles that this study recommends can help all organizations succeed. However, this study pays particular attention to nonproliferation organizations because of the mission they are responsible for fulfilling. Nonproliferation organizations, including nonproliferation programs that operate within a larger national security organization, are responsible for reducing the threat of nuclear, chemical and biological weapons. These organizations have an enduring mandate from the public and the international community not to fail in the completion of their mission for failure could have detrimental impacts on international security, public health and the environment. Moreover, the public expects nonproliferation organizations and programs to fulfill their mission, even when resources are limited. They are expected to anticipate and react quickly to prevent a potential threat while staying accountable to their public stakeholders, many of whom remain unaware of the very threats the organization is trying to address. When budgets are flush, it is easy to believe that money will solve all problems; but during times of economic hardship, managers must rely on creative and cost-effective management approaches to implement their missions. Fortunately, managers of nonproliferation organizations can draw on a wealth of research on organizational design and culture to help them identify the management strategies most appropriate for them. Such research can help nonproliferation managers think about their own organizational structures and cultures and adapt accepted management principles to their unique organizational mission. This analytical process is not straight forward, as some managers may find themselves taking risks that others might not take, such as making ostensibly risky investments for the common good, or supporting creative thinking to help mission accomplishment. Some management principles that are relatively straightforward for other organizations may be difficult to envision and implement in a nonproliferation organization. Therefore, the goal of this study is to help nonproliferation managers identify management principles that can be implemented in a nonproliferation organization and, in the process, help maximize the value of the organization's products and effectiveness of its mission.

  10. Social Network and Communications Institutional Change Principle |

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

    Department of Energy Network and Communications Institutional Change Principle Social Network and Communications Institutional Change Principle Federal agencies can use social networks and communications to spark and reinforce behavior change for meeting sustainability goals. This principle is based on research findings showing that people and institutions often are strongly influenced by the behaviors and expectations of others. Methods The social network and communications behavior change

  11. Guiding Principles for Sustainable Federal Buildings

    Broader source: Energy.gov [DOE]

    The Federal Energy Management Program provides guidance to help agencies comply with the Guiding Principles for Federal Leadership in High-Performance and Sustainable Buildings.

  12. Principle Power Inc | Open Energy Information

    Open Energy Info (EERE)

    Principle Power Inc Address: 93 S. Jackson Street Place: Seattle, Washington Zip: 98104 Region: Pacific Northwest Area Sector: Wind energy Product: Developing a method so wind...

  13. Energy Literacy: Essential Principles and Fundamental Concepts...

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

    Literacy: Essential Principles and Fundamental Concepts for Energy Education News and Updates Check out our new Energy Literacy video series The Energy Literacy Framework is also ...

  14. Active nondestructive assay of nuclear materials: principles...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Active nondestructive assay of nuclear materials: principles and applications Citation Details In-Document Search Title: Active nondestructive assay of nuclear ...

  15. Lighting Principles and Terms | Department of Energy

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

    Light quantity, energy consumption, and light quality are the basic principles of lighting. | Photo courtesy of

  16. Central Plateau Principles Public Involvement Advice DETAILED...

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

    v0, 12914 Central Plateau Principles Public Involvement Advice DETAILED BACKGROUND Cleanup of Hanford's Central Plateau is expected to take another four decades or longer, and...

  17. Energy Literacy: Essential Principle #1 | Department of Energy

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

    1 Energy Literacy: Essential Principle #1 Addthis Essential Principle #1 - Energy is a physical quantity that follows precise natural laws

  18. Energy Literacy: Essential Principle #3 | Department of Energy

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

    3 Energy Literacy: Essential Principle #3 Addthis Essential Principle #3 - Biological processes depend on energy flow through

  19. Catalysts via First Principles | Department of Energy

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

    11 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon pm011_narula_2011_o.pdf More Documents & Publications Catalysts via First Principles Catalyst by Design - Theoretical, Nanostructural, and Experimental Studies of Emission Treatment Catalyst Catalysts via First Principles (Agreement ID:10635)

  20. Infrastructure Institutional Change Principle | Department of...

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

    IBM used the infrastructure behavior change principle to adjust its operational and ... Top-of-the-line meters offered vital data on how and when facilities use energy. This ...

  1. Institutional Change Principles for Fostering Sustainability

    Broader source: Energy.gov [DOE]

    The following eight principles serve as the foundational building blocks for developing strategies to achieve institutional change—but they are not the strategies themselves. They are derived from...

  2. Principle Energy Limited | Open Energy Information

    Open Energy Info (EERE)

    Principle Energy Limited Place: Isle of Man, United Kingdom Zip: 1M1 1LB Sector: Renewable Energy Product: A UK-based renewable energy company focusing on bioethanol projects in...

  3. Leadership Institutional Change Principle | Department of Energy

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

    Leadership Institutional Change Principle Leadership Institutional Change Principle For changing behavior among employees, leaders in federal agencies should visibly communicate their own commitments to sustainability in the workplace. Such visible leadership will help achieve sustainability goals in the short term and continue to provide motivation for long-term benefits. Methods Leaders should have a deep understanding of the politics of the organization and the ability to inspire and

  4. Commitment Institutional Change Principle | Department of Energy

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

    Commitment Institutional Change Principle Commitment Institutional Change Principle Commitment can be a crucial element that helps federal agencies inject and emphasize sustainability in their organizational culture. Institutions and people change when they have made definite commitments to change, especially when those commitments relate to future conditions. Research shows that explicit commitments improve the rate at which people adopt energy-efficient behaviors. Methods Explicit commitments

  5. A New Principle in Physiscs: the Principle "Finiteness", and Some Consequences

    SciTech Connect (OSTI)

    Abraham Sternlieb

    2010-06-25

    In this paper I propose a new principle in physics: the principle of "finiteness". It stems from the definition of physics as a science that deals (among other things) with measurable dimensional physical quantities. Since measurement results, including their errors, are always finite, the principle of finiteness postulates that the mathematical formulation of "legitimate" laws of physics should prevent exactly zero or infinite solutions. Some consequences of the principle of finiteness are discussed, in general, and then more specifically in the fields of special relativity, quantum mechanics, and quantum gravity. The consequences are derived independently of any other theory or principle in physics. I propose "finiteness" as a postulate (like the constancy of the speed of light in vacuum, "c"), as opposed to a notion whose validity has to be corroborated by, or derived theoretically or experimentally from other facts, theories, or principles.

  6. Principles of Agreement with the State of New Mexico | Department...

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

    Principles of Agreement with the State of New Mexico Principles of Agreement with the State of New Mexico PDF icon Principles of Agreement with the State of New Mexico More...

  7. High-performance First-principles Molecular Dynamics for Predictive Theory

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

    and Modeling Eric Schwegler is Prinicipal Investigator for High-performance First-principles Molecular Dynamics for Predictive Theory and Modeling. High-performance First-principles Molecular Dynamics for Predictive Theory and Modeling Research The focus of this project is on the development of a high-performance software infrastructure that combines large-scale FPMD with advanced spectroscopy and sampling algorithms.

  8. Energy Literacy: Essential Principle #2 | Department of Energy

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

    2 Energy Literacy: Essential Principle #2 Addthis Essential Principle #2 - Physical processes on Earth are the result of energy flow through

  9. Towards First Principles prediction of Voltage Dependences of...

    Office of Scientific and Technical Information (OSTI)

    Towards First Principles prediction of Voltage Dependences of ElectrolyteElectrolyte ... Title: Towards First Principles prediction of Voltage Dependences of Electrolyte...

  10. Council on Environmental Quality Issues 2016 Guiding Principles...

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

    The 2016 Guiding Principles (as of February 26, 2016) update and replace the December 2008 Guiding Principles with the intent to reflect the evolution of sustainable building ...

  11. General Investigator

    Broader source: Energy.gov [DOE]

    A successful candidate in this position will: Serve as a investigator in the Counterintelligence (CI) Investigations Division and will develop, lead, conduct, and otherwise oversee CI...

  12. Testing the copernican principle via cosmological observations

    SciTech Connect (OSTI)

    Bolejko, Krzysztof; Wyithe, J. Stuart B. E-mail: swyithe@unimelb.edu.au

    2009-02-15

    Observations of distances to Type-Ia supernovae can be explained by cosmological models that include either a gigaparsec-scale void, or a cosmic flow, without the need for Dark Energy. Instead of invoking dark energy, these inhomogeneous models instead violate the Copernican Principle. we show that current cosmological observations (Supernovae, Baryon Acoustic Oscillations and estimates of the Hubble parameters based on the age of the oldest stars) are not able to rule out inhomogeneous anti-Copernican models. The next generation of surveys for baryonic acoustic oscillations will be sufficiently precise to either validate the Copernican Principle or determine the existence of a local Gpc scale inhomogeneity.

  13. State Policies to Encourage Green Building Principles

    Broader source: Energy.gov [DOE]

    This presentation, presented Dec. 17, 2008, covered state policies for green building principles. Presenters included Brian Lips of North Carolina State University, Chuck Sathrum of the North Carolina Department of Administration's State Energy Office, and Angie Fyfe of the Colorado Governor's Energy Office.

  14. Social Network and Communications Institutional Change Principle

    Broader source: Energy.gov [DOE]

    Federal agencies can use social networks and communications to spark and reinforce behavior change for meeting sustainability goals. This principle is based on research findings showing that people and institutions often are strongly influenced by the behaviors and expectations of others.

  15. American Evaluation Association Guiding Principles for Evaluators, 2004 |

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

    Department of Energy American Evaluation Association Guiding Principles for Evaluators, 2004 American Evaluation Association Guiding Principles for Evaluators, 2004 Five principles developed by American Evaluation Associ intended to guide professional practice of evaluators & to inform evaluation clients and the general public about principles they can expect to be upheld by professional evaluators. PDF icon Guiding Principles for Evaluators More Documents & Publications ORSSAB

  16. An uncertainty principle for unimodular quantum groups

    SciTech Connect (OSTI)

    Crann, Jason; Kalantar, Mehrdad E-mail: mkalanta@math.carleton.ca

    2014-08-15

    We present a generalization of Hirschman's entropic uncertainty principle for locally compact Abelian groups to unimodular locally compact quantum groups. As a corollary, we strengthen a well-known uncertainty principle for compact groups, and generalize the relation to compact quantum groups of Kac type. We also establish the complementarity of finite-dimensional quantum group algebras. In the non-unimodular setting, we obtain an uncertainty relation for arbitrary locally compact groups using the relative entropy with respect to the Haar weight as the measure of uncertainty. We also show that when restricted to q-traces of discrete quantum groups, the relative entropy with respect to the Haar weight reduces to the canonical entropy of the random walk generated by the state.

  17. Vehicle Technologies Office- AVTA: Hybrid-Electric Tractor Vehicles

    Broader source: Energy.gov [DOE]

    The following set of reports describes performance data collected from hybrid-electric heavy-duty tractor vehicles in the Coca-Cola fleet. This research was conducted by the National Renewable Energy Laboratory (NREL).

  18. AVTA: 2011 Nissan Leaf All-Electric Vehicle Testing Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on an all-electric 2011 Nissan Leaf. The baseline performance testing provides a point of comparison for the other test results. Taken together, these reports give an overall view of how this vehicle functions under extensive testing. This research was conducted by Idaho National Laboratory.

  19. AVTA: 2010 Smart Fortwo Start-Stop Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. Baseline data, which provides a point of comparison for the other test results, was collected at two different research laboratories. Baseline and other data collected at Idaho National Laboratory is in the attached documents. Baseline and battery testing data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  20. AVTA: 2013 Volkswagon Jetta TDI Diesel Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2013 Volkswagon Jetti TDI, which runs on diesel. Baseline and other data collected at Idaho National Laboratory is in the attached documents. Baseline data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  1. AVTA: 2010 Volkswagon Golf Diesel Start-Stop Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2010 Volkswagon Golf Diesel vehicle with stop-start technology. Baseline data, which provides a point of comparison for the other test results, was collected at two different research laboratories. Baseline and other data collected at Idaho National Laboratory is in the attached documents. Baseline and battery testing data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  2. AVTA: 2010 Mazda 3 Hatchback Start-Stop Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2010 Mazda3 hatchback with stop-start technology. Baseline and other data collected at Idaho National Laboratory is in the attached documents. Baseline and battery testing data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  3. AVTA: 2013 Ford C-MAX HEV Testing Results

    Broader source: Energy.gov [DOE]

    VTO's National Laboratories have tested and collected both dynamometer and fleet data for the Ford C-MAX HEV (a hybrid electric vehicle).

  4. Vehicle Technologies Office AVTA: Light Duty Alternative Fuel...

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

    The following table has downloadable performance, reliability, and driver behavior data for selected models of all-electric vehicles (electric cars or AEVs), compressed natural gas ...

  5. AVTA: Hybrid Electric Vehicle Specifications and Test Procedures...

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

    Test Procedure PDF icon ETA-HTP03 Implementation of SAE, J1634 May 1993 - Hybrid Electric Vehicle Energy Consumption and Range Test Procedure PDF icon ETA-HTP04 Electric Vehicle ...

  6. AVTA: Full-Size Electric Vehicle Specifications and Test Procedures...

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

    Test Procedure PDF icon ETA-HP003 Implementation of SAE J1634, May 1993 - Hybrid Electric Vehicle Energy Consumption and Range Test Procedure PDF icon ETA-TP004 Electric Vehicle ...

  7. AVTA: 2009 Vantage Neighborhood Electric Vehicle Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe testing results of two 2009 Vantage neighborhood electric vehicles (a pickup truck style and a van style). Neighborhood electric vehicles reach speeds of no more than 35 miles per hour and are only allowed on roads with speed limits of up to 35 miles per hour. This research was conducted by Idaho National Laboratory.

  8. AVTA HEV, NEV, BEV and HICEV Demonstrations and Testing

    Broader source: Energy.gov [DOE]

    2010 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C.

  9. Vehicle Technologies Office- AVTA: All Electric Delivery Trucks

    Office of Energy Efficiency and Renewable Energy (EERE)

    The following set of reports (part of the medium and heavy-duty truck data) describes performance data collected from Smith Newton all-electric medium-duty delivery trucks in a variety of fleets. This research was conducted by the National Renewable Energy Laboratory (NREL).

  10. AVTA: 2014 Chevrolet Cruze Diesel Vehicle Testing Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  11. AVTA: 2013 Ford C-Max Energi PHEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road....

  12. AVTA: 2013-2014 Volkswagen Jetta HEV Testing Results

    Broader source: Energy.gov [DOE]

    VTO's National Laboratories have tested and collected both dynamometer and fleet data for the Volkswagen Jetta HEV (a hybrid electric vehicle).

  13. AVTA: 2013 Ford Fusion Energi PHEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  14. AVTA: Ford Escape PHEV Advanced Research Vehicle 2010 Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a plug-in hybrid electric Ford Escape Advanced Research Vehicle, an experimental model not currently for sale. The baseline performance testing provides a point of comparison for the other test results. Taken together, these reports give an overall view of how this vehicle functions under extensive testing. This research was conducted by Idaho National Laboratory.

  15. Vehicle Technologies Office: AVTA - Medium and Heavy Duty Vehicle...

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

    Application Technology Manufacturer Fleet Years Collected Delivery Trucks All Electric Smith Newton Various 2012-2014 Class 8 Diesel Tractors Hybrid Electric Kenworth and ...

  16. AVTA: 2010 Toyota Prius Gen III HEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2010 Toyota Prius III hybrid-electric vehicle. Baseline data, which provides a point of comparison for the other test results, was collected at two different research laboratories. Baseline and other data collected at Idaho National Laboratory is in the attached documents. Baseline and battery testing data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  17. AVTA: 2013 Ford Focus All-Electric Vehicle Testing Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  18. Vehicle Technologies Office - AVTA: All Electric Delivery Trucks...

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

    from Smith Newton all-electric delivery trucks in a variety of fleets. This research was conducted by the National Renewable Energy Laboratory (NREL). PDF icon Smith Newton ...

  19. AVTA: PLUGLESS Level 2 Wireless Charging Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following report describes results from testing done on the wireless PLUGLESS Level 2 EV Charging System by Evatran Group Inc. This research was conducted by Idaho National Laboratory.

  20. AVTA: Oil Bypass Filter Specifications and Test Procedures

    Broader source: Energy.gov [DOE]

    PuraDYN Oil Bypass Filtration System Evaluation Test Plan methodology is used in the testing of all oil bypass filters on the buses at the Idaho National Laboratory.

  1. AVTA: Urban Electric Vehicle Specifications and Test Procedures...

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

    of SAE Standard J1634, May 1993 - Electric Vehicle Energy Consumption and Range Test Procedure ... ETA-UAC01 Control, Close-out and Storage of Documentation PDF icon ETA-UAC04 ...

  2. AVTA: Neighborhood Electric Vehicle Specifications and Test Procedures...

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

    PDF icon ETA-NTP013 Level III Charging of Neighborhood Electric Vehicles PDF icon ETA-NAC001 Control, Close-out and Storage of Documentation PDF icon ETA-NAC002 Control of Test ...

  3. Vehicle Technologies Office: AVTA - Evaluating National Parks and Forest

    Energy Savers [EERE]

    | Department of Energy Recognizes Outstanding Researchers and Projects Vehicle Technologies Office Recognizes Outstanding Researchers and Projects June 24, 2015 - 11:51am Addthis At its Annual Merit Review in Arlington, VA, the Department of Energy's (DOE) Vehicle Technologies Office recently recognized some of its most outstanding performers involved in research, development, and deployment of efficient and sustainable highway transportation technologies. The Vehicle Technologies Office

  4. AVTA: ARRA EV Project Charging Infrastructure Data Summary Reports

    Office of Energy Efficiency and Renewable Energy (EERE)

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following reports summarize data collected from the 14,000 Level 2 PEV chargers and 300 DC fast chargers deployed by the EV Project. It also deployed 5,700 all-electric Nissan Leafs and 2,600 plug-in hybrid electric Chevrolet Volts. Background data on how this data was collected is in the EV Project: About the Reports. This research was conducted by Idaho National Laboratory.

  5. Vehicle Technologies Office: AVTA - Plug-in Electric Vehicle...

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

    evaluating the electrification of heavy-duty vehicles and the accompanying infrastructure with Smith Electric, Navistar, Cascade Sierra on truck stop electrification, and the South ...

  6. AVTA: Idaho National Laboratory Experimental Hybrid Shuttle Bus...

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

    (part of the medium and heavy-duty truck data) describes testing results of the Idaho National Laboratory's demonstration hybrid shuttle bus. This research was conducted by Idaho ...

  7. AVTA: EVSE Testing- NYSERDA Electric Vehicle Charging Infrastructure Reports

    Broader source: Energy.gov [DOE]

    These reports describe the charging patterns of drivers participating in the New York State Energy Research and Development Authority's (NYSERDA) electric vehicle (EV) infrastructure project.

  8. AVTA: Idaho National Laboratory Experimental Hybrid Shuttle Bus Testing Results

    Broader source: Energy.gov [DOE]

    The following report describes testing results of the Idaho National Laboratory's demonstration hybrid shuttle bus. This research was conducted by Idaho National Laboratory.

  9. AVTA: 2011 Chrysler Town and Country Experimental PHEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a Chrysler Town and Country PHEV 2011, an experimental model not currently for sale. The baseline performance testing provides a point of comparison for the other test results. Taken together, these reports give an overall view of how this vehicle functions under extensive testing. This research was conducted by Idaho National Laboratory.

  10. Advanced Vehicle Testing Activity (AVTA)- Vehicle Testing and Demonstration Activities

    Office of Energy Efficiency and Renewable Energy (EERE)

    2009 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C.

  11. AVTA: ARRA EV Project Electric Grid Impact Report

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following report describes lessons learned about the impact on the electrical grid from the EV Project. The EV Project partnered with city, regional and state governments, utilities, and other organizations in 16 cities to deploy about 14,000 Level 2 PEV chargers and 300 DC fast chargers. It also deployed 5,700 all-electric Nissan Leafs and 2,600 plug-in hybrid electric Chevrolet Volts. This research was conducted by Idaho National Laboratory.

  12. AVTA: 2010 Electric Vehicles International Neighborhood Electric Vehicle Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe testing results of the 2010 Electric Vehicles International neighborhood electric vehicle. Neighborhood electric vehicles reach speeds of no more than 35 miles per hour and are only allowed on roads with speed limits of up to 35 miles per hour. This research was conducted by Idaho National Laboratory.

  13. AVTA: 2013 Nissan Leaf All-Electric Vehicle Testing Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe early results of testing done on an all-electric 2013 Nissan Leaf. Baseline data, which provides a point of comparison for the other test results, was collected at two different research laboratories. Baseline and other data collected at Idaho National Laboratory is in the attached documents. Baseline and battery testing data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  14. AVTA: ARRA EV Project Residential Charging Infrastructure Maps

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following maps describe where the EV Project deployed thousands of residential chargers. Background data on how this data was collected is in the EV Project: About the Reports. This research was conducted by Idaho National Laboratory.

  15. AVTA: ARRA EV Project Public Charging Infrastructure Maps

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following maps describe where the EV Project deployed thousands of public chargers. Background data on how this data was collected is in the EV Project: About the Reports. This research was conducted by Idaho National Laboratory.

  16. AVTA: ChargePoint America Recovery Act Charging Infrastructure Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following reports describe results of data collected through the Chargepoint America project, which deployed 4,600 public and home charging stations throughout the U.S. This research was conducted by Idaho National Laboratory.

  17. AVTA: 2012 Nissan Leaf All-Electric Vehicle Testing Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  18. Vehicle Technologies Office - AVTA: Hybrid-Electric Tractor Vehicles...

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

    The following set of reports (part of the medium and heavy-duty truck data) describes data collected from hybrid-electric tractor vehicles in the Coca-Cola fleet. This research was ...

  19. AVTA: Chevrolet Volt ARRA Vehicle Demonstration Project Data

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following reports summarize data collected from a project General Motors conducted to deploy 150 2011 Chevrolet Volts around the country. This research was conducted by Idaho National Laboratory.

  20. Vehicle Technologies Office- AVTA: Hybrid-Electric Delivery Vehicles

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following set of reports describes data collected from testing on FedEx Express and UPS hybrid-electric delivery trucks. This research was conducted by the National Renewable Energy Laboratory (NREL).

  1. AVTA: 2013 BRP Neighborhood Electric Vehicle Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe testing results of the 2013 BRP neighborhood electric vehicle. Neighborhood electric vehicles reach speeds of no more than 35 miles per hour and are only allowed on roads with speed limits of up to 35 miles per hour. This research was conducted by Idaho National Laboratory.

  2. AVTA: Aerovironment AC Level 2 Charging System Testing Results...

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

    Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  3. AVTA: Clipper Creek AC Level 2 Charging System Testing Results...

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

    Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  4. Vehicle Technologies Office - AVTA: Hybrid-Electric Delivery...

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

    Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  5. AVTA: PHEV Demand and Energy Cost Demonstration Report | Department...

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

    Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  6. AVTA: 2012 Toyota Prius PHEV Downloadable Dynamometer Database...

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

    Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  7. Vehicle Technologies Office: AVTA - Battery Testing Data | Department...

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

    For plug-in electric vehicles to achieve widespread market adoption, vehicle batteries ... The Vehicle Technologies Office supports work to improve batteries through exploratory ...

  8. AVTA: Battery Testing- DC Fast Charging's Effects on PEV Batteries

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following report describes DC fast charging's effects on plug-in electric vehicle batteries. This research was conducted by Idaho National Laboratory.

  9. AVTA: Battery Testing - DC Fast Charging's Effects on PEV Batteries...

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

    describes DC fast charging's effects on plug-in electric vehicle batteries. This research was conducted by Idaho National Laboratory. PDF icon DC Fast Charge Effects on Battery ...

  10. AVTA: ARRA EV Project Chevrolet Volt Data Summary Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following reports provide summary overviews of the 2,600 plug-in hybrid electric Chevrolet Volts deployed through the EV Project. It also deployed about 14,000 Level 2 PEV chargers and 300 DC fast chargers. Background data on how this data was collected is in the EV Project: About the Reports. This research was conducted by Idaho National Laboratory.

  11. AVTA: ARRA EV Project Nissan Leaf Data Summary Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following reports provide summary overviews of the 5,700 all-electric Nissan Leafs deployed through the EV Project. It also deployed about 14,000 Level 2 PEV chargers and 300 DC fast chargers. Background data on how this data was collected is in the EV Project: About the Reports. This research was conducted by Idaho National Laboratory.

  12. AVTA: 2012 Chevrolet Volt PHEV Downloadable Dynamometer Database Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  13. AVTA: 2012 Toyota Prius PHEV Downloadable Dynamometer Database Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  14. AVTA: 2009 Volkswagen Jetta TDI Diesel Downloadable Dynamometer Database Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  15. First principle thousand atom quantum dot calculations

    SciTech Connect (OSTI)

    Wang, Lin-Wang; Li, Jingbo

    2004-03-30

    A charge patching method and an idealized surface passivation are used to calculate the single electronic states of IV-IV, III-V, II-VI semiconductor quantum dots up to a thousand atoms. This approach scales linearly and has a 1000 fold speed-up compared to direct first principle methods with a cost of eigen energy error of about 20 meV. The calculated quantum dot band gaps are parametrized for future references.

  16. A Principled Approach to HPC Event Monitoring

    Office of Scientific and Technical Information (OSTI)

    074C A Principled Approach to HPC Event Monitoring Alireza Goudarzi, Dorian Arnold and Darko Stefanovic Department of Computer Science University of New Mexico alirezag|darnold|darko@cs.unm Kurt B. Ferreira Scalable System Software Sandia National Laboratories* kbferre@sandia.gov edu Guy Feldman Department of Statistics Purdue University gfeldman@purdue.edu ABSTRACT As high-performance computing (HPC) computing systems become larger and more complex, fault tolerance becomes a greater concern. At

  17. Eugene Wigner and Fundamental Symmetry Principles

    Office of Scientific and Technical Information (OSTI)

    Eugene Wigner and Fundamental Symmetry Principles Patents * Resources with Additional Information * Wigner Honored "[Eugene P.] Wigner's great contribution to science, for which he won the Nobel Prize in Physics in 1963, was his insight into the fundamental mathematics and physics of quantum mechanics. He applied and extended the mathematical theory of groups to the quantum world of the atom; specifically, he used group theory to organize the quantum energy levels of electrons in atoms in a

  18. First-principles calculations of phonons and Raman spectra in...

    Office of Scientific and Technical Information (OSTI)

    First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Title: First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Authors: ...

  19. Energy Literacy: Essential Principle #4 | Department of Energy

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

    4 Energy Literacy: Essential Principle #4 Addthis Essential Principle #4 - Various sources of energy can be used to power human activities, and often this energy must be transferred from source to destination

  20. First-principles studies of hydrogen interaction with ultrathin...

    Office of Scientific and Technical Information (OSTI)

    First-principles studies of hydrogen interaction with ultrathin Mg and Mg-based alloy films Title: First-principles studies of hydrogen interaction with ultrathin Mg and Mg-based ...

  1. CEQ Issues 2016 Guiding Principles for Sustainable Federal Buildings

    Broader source: Energy.gov [DOE]

    The Council on Environmental Quality (CEQ) on February 26, 2016, issued the Guiding Principles for Sustainable Federal Buildings and Associated Instructions and Determining Compliance with the Guiding Principles for Sustainable Federal Buildings.

  2. Accident Investigations

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2011-03-04

    This Order prescribes organizational responsibilities, authorities, and requirements for conducting investigations of certain accidents occurring at DOE sites, facilities, areas, operations, and activities. Supersedes DOE O 225.1A. Cancels DOE G 225.1A-1.

  3. Council on Environmental Quality Issues 2016 Guiding Principles for

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

    Sustainable Federal Buildings | Department of Energy Council on Environmental Quality Issues 2016 Guiding Principles for Sustainable Federal Buildings Council on Environmental Quality Issues 2016 Guiding Principles for Sustainable Federal Buildings March 8, 2016 - 1:16pm Addthis Council on Environmental Quality Issues 2016 Guiding Principles for Sustainable Federal Buildings On February, 26, 2016, the Council on Environmental Quality (CEQ) issued the 2016 version of the Guiding Principles

  4. Cost Principles Webinar for DOE Grant Recipients | Department of Energy

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

    Cost Principles Webinar for DOE Grant Recipients Cost Principles Webinar for DOE Grant Recipients The Office of Management and Budget (OMB) Cost Principles in the Code of Federal Regulations (CFR) define, by organization type, what kinds of costs are allowable or unallowable for reimbursement in Federal financial assistance awards. This Cost Principles webinar was developed to help DOE award recipients understand the costing and invoicing requirements for their awards funded by the American

  5. Guiding Principles for Successfully Implementing Industrial Energy Assessment Recommendations

    SciTech Connect (OSTI)

    2011-04-01

    This implementation guide provides key principles and activities that will lead to the successful implementation of recommendations during energy assessments.

  6. Principles of isotope geology. Second edition

    SciTech Connect (OSTI)

    Faure, G.

    1986-01-01

    This is a text in isotope geology/geoscience that integrates material taught in various courses into a unified picture of the earth sciences. It presents an exposition of the principles used in the interpretation of isotopic data and shows how such interpretations apply to the solution of geological problems. References up to 1985 are included with chapters in this edition. New chapters on Sm-Nd, Lu-Hf Re-Os, and K-Ca decay schemes and cosmogenic radionuclides have been added. Data summaries and references have been expanded.

  7. First Principles Calculations and NMR Spectroscopy of Electrode Materials |

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

    Department of Energy 7_grey.pdf More Documents & Publications First Principles Calculations and NMR Spectroscopy of Electrode Materials: NMR Vehicle Technologies Office Merit Review 2014: First Principles Calculations and NMR Spectroscopy of Electrode Materials First Principles Calculations and NMR Spectroscopy of Electrode Materials

  8. Curvature constraints from the causal entropic principle

    SciTech Connect (OSTI)

    Bozek, Brandon; Albrecht, Andreas; Phillips, Daniel

    2009-07-15

    Current cosmological observations indicate a preference for a cosmological constant that is drastically smaller than what can be explained by conventional particle physics. The causal entropic principle (Bousso et al.) provides an alternative approach to anthropic attempts to predict our observed value of the cosmological constant by calculating the entropy created within a causal diamond. We have extended this work to use the causal entropic principle to predict the preferred curvature within the 'multiverse'. We have found that values larger than {rho}{sub k}=40{rho}{sub m} are disfavored by more than 99.99% peak value at {rho}{sub {lambda}}=7.9x10{sup -123} and {rho}{sub k}=4.3{rho}{sub m} for open universes. For universes that allow only positive curvature or both positive and negative curvature, we find a correlation between curvature and dark energy that leads to an extended region of preferred values. Our universe is found to be disfavored to an extent depending on the priors on curvature. We also provide a comparison to previous anthropic constraints on open universes and discuss future directions for this work.

  9. The Salt Defense Disposal Investigations (SDDI)

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

    Salt Defense Disposal Investigations (SDDI) will utilize a newly mined Underground Research Lab (URL) in WIPP to perform a cost effective, proof-of-principle feld test of the emplacement of heat-generating radioactive waste and validate modeling efforts. The goals of the SDDI Thermal Test are to: * Demonstrate a proof-of-principle concept for in-drift disposal in salt. * Investigate, in a specifc emplacement concept, the response of the salt to heat. * Develop a full-scale response for run-of-

  10. Accident Investigations

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    1996-04-26

    To prescribe requirements for conducting investigations of certain accidents occurring at Department of Energy (DOE) operations and sites; to improve the environment, safety and health for DOE, contractors, and the public; and to prevent the recurrence of such accidents. Chg 2, 4-26-96

  11. Accident Investigations

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    1995-10-26

    To prescribe requirements for conducting investigations of certain accidents occurring at Department of Energy (DOE) operations and sites; to improve the environment , safety and health for DOE, contractors, and the public; and to prevent the recurrence of such accidents. Chg 1, 10-26-95. Cancels parts of DOE 5484.1

  12. Energy Literacy: Essential Principles and Fundamental Concepts for Energy

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

    Education | Department of Energy Literacy: Essential Principles and Fundamental Concepts for Energy Education Energy Literacy: Essential Principles and Fundamental Concepts for Energy Education Energy Literacy: Essential Principles and Fundamental Concepts for Energy Education News and Updates Check out our new Energy Literacy video series! The Energy Literacy Framework is also available in Spanish: Conocimiento de Energía. What is Energy Literacy? Energy Literacy is an understanding of the

  13. National Laboratory Impact Initiative Guiding Principles | Department of

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

    Energy You are here Home » National Laboratory Impact Initiative Guiding Principles National Laboratory Impact Initiative Guiding Principles EERE has developed these Principles in a collaborative fashion with National Laboratory leadership to foster a more strategic partnership between EERE and the Labs in stewarding world-class National Laboratory science and technology (S&T) capabilities and in delivering continually increasing market impact on energy, security, economic, and

  14. Program Evaluation: Purpose and Principles of Peer Reviews | Department of

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

    Energy Principles of Peer Reviews Program Evaluation: Purpose and Principles of Peer Reviews Peer reviews have a clear purpose and core principles. Purpose Peer review is essential to provide robust, documented feedback to EERE program planning. Knowledge about the quality and effectiveness of current projects and programs is essential when designing future programs and/or enhancing existing efforts. Peer review also provides management with independent confirmation of the effectiveness of

  15. Cost Principles Webinar for DOE Grant Recipients - Text Version |

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

    Department of Energy Following is a text transcript of the April 2011 Cost Principles Webinar for DOE Grant Recipients. Title Slide: Cost Principles Webinar for DOE Grant Recipients U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Golden Field Office April 2011 Narration: The following webinar can be used as a reference tool for recipients of Federal grants to better understand cost principles and how they are incorporated into the award. Slide 1: Cognizance &

  16. A first principles investigation of ferromagnetic EuFe{sub 4}As{sub 12}

    SciTech Connect (OSTI)

    Shankar, A. Sandeep,; Thapa, R. K.; Rai, D. P.; Maibam, J.

    2015-05-15

    Density functional theory (DFT) based calculations of electronic and magnetic properties of filled skutterudites EuFe{sub 4}As{sub 12} have been performed using FP-LAPW method within the framework of the LSDA approach. The rare-earth filled skutterudites have attracted much attention because of the presence of the highly localized f-electrons and d- electrons of rare-earth and transition metal respectively, with high density of states near Fermi level. The calculation performed near the Fermi level of density of states shows the compound to be suitable for thermoelectric application. The exchange-splitting of Eu-4f states were analysed to explain the ferromagnetic behaviour of EuFe{sub 4}As{sub 12} with magnetic moment value 5.18 ?{sub B}.

  17. Developing an Approach for First-principles Catalyst Design:...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Developing an Approach for First-principles ... ANALYTICAL CHEMISTRY; 29 ENERGY PLANNING, POLICY AND ECONOMY; 97 MATHEMATICS, COMPUTING, ...

  18. Comment on ''Modifying the variational principle in theaction...

    Office of Scientific and Technical Information (OSTI)

    Comment on ''Modifying the variational principle in the action-integral-functional derivation of time-dependent density-functional theory'' Citation Details In-Document Search ...

  19. First-principles opacity table of warm dense deuterium forinertial...

    Office of Scientific and Technical Information (OSTI)

    ...ial-confinement-fusion applications Citation Details In-Document Search Title: First-principles opacity table of warm dense deuterium for inertial-confinement-fusion applications ...

  20. Free, Prior, and Informed Consent in REDD+: Principles and Approaches...

    Open Energy Info (EERE)

    Free, Prior, and Informed Consent in REDD+: Principles and Approaches for Policy and Project Development Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Free, Prior, and...

  1. Energy Literacy Social Studies Guide - Essential Principle 5...

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

    5 Energy Literacy Social Studies Guide - Essential Principle 5 Below is information about ... Energy decisions are influenced by economic, political, environmental, and social factors. ...

  2. Energy Literacy Social Studies Guide - Essential Principle 4...

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

    4 Energy Literacy Social Studies Guide - Essential Principle 4 Below is information about ... Curriculum Social Studies Time Required 3-4 class periods Owner American Geosciences ...

  3. Energy Literacy Social Studies Guide - Essential Principle 2...

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

    2 Energy Literacy Social Studies Guide - Essential Principle 2 Below is information about ... Curriculum Social Studies Time Required 3-4 class periods Owner American Geosciences ...

  4. Energy Literacy Social Studies Guide - Essential Principle 1...

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

    1 Energy Literacy Social Studies Guide - Essential Principle 1 Below is information about ... follows precise natural laws. Curriculum Social Studies Time Required 3-4 class periods ...

  5. Energy Literacy Social Studies Guide - Essential Principle 3...

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

    3 Energy Literacy Social Studies Guide - Essential Principle 3 Below is information about ... Curriculum Social Studies Time Required 3-4 class periods Owner American Geosciences ...

  6. Artificial Photosynthesis I - Design Principles for Light Harvesting

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

    I Artificial Photosynthesis I - Design Principles for Light Harvesting FlemingSmall.png Key Challenges: Researchers measure a two-dimensional (2D) Fourier transform electronic...

  7. Energy Literacy Social Studies Guide - Essential Principle 7...

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

    impact the environment? Summary Discussion points related to Essential Principle 7: The quality of life of individuals and societies is affected by energy choices. Curriculum...

  8. First Principles-inspired Design Strategies for Graphene-based...

    Office of Scientific and Technical Information (OSTI)

    Strategies for Graphene-based Supercapacitor Electrodes Citation Details In-Document Search Title: First Principles-inspired Design Strategies for Graphene-based ...

  9. Proposed Structure and Organizing Principles for Low Income Energy...

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

    Structure and Organizing Principles for Low Income Energy Efficiency Workgroup 1 Background As part of Post-2011-Review, BPA agreed to convene a low income energy efficiency...

  10. Principles of Heating and Cooling | Department of Energy

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

    Understanding the processes that help keep your body cool is important in understanding cooling strategies for your home. Principles of Heat Transfer Heat is transferred to and ...

  11. First Principles Calculations (and NMR Spectroscopy of Electrode...

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

    (and NMR Spectroscopy of Electrode Materials) First Principles Calculations (and NMR Spectroscopy of Electrode Materials) 2009 DOE Hydrogen Program and Vehicle Technologies Program ...

  12. First Principles Calculations and NMR Spectroscopy of Electrode...

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

    and NMR Spectroscopy of Electrode Materials First Principles Calculations and NMR Spectroscopy of Electrode Materials 2011 DOE Hydrogen and Fuel Cells Program, and Vehicle ...

  13. First Principles Calculations and NMR Spectroscopy of Electrode...

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

    and NMR Spectroscopy of Electrode Materials First Principles Calculations and NMR Spectroscopy of Electrode Materials 2009 DOE Hydrogen Program and Vehicle Technologies Program ...

  14. FEMP Offers Updated Training on the Guiding Principles for High...

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

    The U.S. Department of Energy's Federal Energy Management Program (FEMP) presents an updated series of training courses focused on the Guiding Principles for Federal Leadership in ...

  15. First Principles Calculations and NMR Spectroscopy of Electrode...

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

    Materials: NMR First Principles Calculations and NMR Spectroscopy of Electrode Materials: NMR 2010 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer...

  16. Developing an Approach for First-principles Catalyst Design:...

    Office of Scientific and Technical Information (OSTI)

    Developing an Approach for First-principles Catalyst Design: Application to Carbon Capture ... ANALYTICAL CHEMISTRY; 29 ENERGY PLANNING, POLICY AND ECONOMY; 97 MATHEMATICS, COMPUTING, ...

  17. Violations of the ceiling principle: Exact conditions and statistical evidence

    SciTech Connect (OSTI)

    Slimowitz, J.R. ); Cohen, J.E. )

    1993-08-01

    The National Research Council recommended the use of the ceiling principle in forensic applications of DNA testing on the grounds that the ceiling principle was believed to be [open quotes]conservative,[close quotes] giving estimates greater than or equal to the actual genotype frequencies in the appropriate reference population. The authors show here that the ceiling principle can fail to be conservative in a population with two subpopulations and two loci, each with two alleles at Hardy-Weinberg equilibrium, if there is some linkage disequilibrium between loci. They also show that the ceiling principle can fail in a population with two subpopulations and a single locus with two alleles if Hardy-Weinberg equilibrium does not hold. They given explicit analytical formulas to describe when the ceiling principle fails. By showing that the ceiling principle is not always mathematically reliable, this analysis gives users of the ceiling principle the responsibility of demonstrating that it is conservative for the particular data with which it is used. Reanalysis of VNTR data bases of the FBI provides compelling evidence of two-locus associations within three major ethnic groups (Caucasian, black, and Hispanic) in the United States, even though the loci tested are located on different chromosomes. Before the ceiling principle is implemented, more research should be done to determine whether it may be violated in practice. 19 refs., 5 tabs.

  18. Ethical Principles | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Ethical Principles Human Subjects Protection Program (HSPP) HSPP Home About Institutional Review Boards (IRBs) Education and Resources Regulations and Requirements Ethical Principles Federal Regulations DOE Special Requirements Health Insurance Portability and Accountability Act (HIPAA) Glossary Abbreviations Contact BER Home Contact Information Human Subjects Protection Program U.S. Department of Energy SC-23/Germantown Building 1000 Independence Ave., SW Washington, DC 20585 Regulations and

  19. Extrapolating Dynamic Leidenfrost Principles to Metallic Nanodroplets on Asymmetrically Textured Surfaces

    Office of Scientific and Technical Information (OSTI)

    OPEN: Extrapolating Dynamic Leidenfrost Principles to Metallic Nanodroplets on Asymmetrically Textured Received: 29 December 2014 Accepted: 22 May 2015 SuilScSs Published: 30 June 2015 Joseph E. Horne1, Nickolay V. Lavrik2, Humberto Terrones1 & Miguel Fuentes-Cabrera2'3 In an effort to enhance our knowledge on how to control the movement of metallic nanodroplets, here we have used classical molecular dynamics simulations to investigate whether Cu nanostructures deposited on nanopillared

  20. Hydrodynamic equations for electrons in graphene obtained from the maximum entropy principle

    SciTech Connect (OSTI)

    Barletti, Luigi

    2014-08-15

    The maximum entropy principle is applied to the formal derivation of isothermal, Euler-like equations for semiclassical fermions (electrons and holes) in graphene. After proving general mathematical properties of the equations so obtained, their asymptotic form corresponding to significant physical regimes is investigated. In particular, the diffusive regime, the Maxwell-Boltzmann regime (high temperature), the collimation regime and the degenerate gas limit (vanishing temperature) are considered.

  1. Energy Literacy Social Studies Guide - Essential Principle 6...

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

    Subject How much energy do I need? Summary Discussion points related to Essential Principle 6: The amount of energy used by human society depends on many factors. Curriculum Social ...

  2. Department of Energy reaches an agreement in principle on the...

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

    on the cleanup of the Santa Susana Field Lab site in Simi Valley Department of Energy reaches an agreement in principle on the cleanup of the Santa Susana Field Lab site in ...

  3. Large-Scale First-Principles Molecular Dynamics Simulations on...

    Office of Scientific and Technical Information (OSTI)

    the BlueGeneL Platform using the Qbox Code Citation Details In-Document Search Title: Large-Scale First-Principles Molecular Dynamics Simulations on the BlueGeneL Platform using ...

  4. First-principles molecular dynamics simulations of condensed...

    Office of Scientific and Technical Information (OSTI)

    phase V-type nerve agent reaction pathways and energy barriers Citation Details In-Document Search Title: First-principles molecular dynamics simulations of condensed phase V-type ...

  5. Energy Literacy Social Studies Guide – Essential Principle 7

    K-12 Energy Lesson Plans and Activities Web site (EERE)

    A guide for social studies educators using the Energy Literacy framework and videos. Includes discussion points related to Essential Principle 7: "The quality of life of individuals and societies is affected by energy choices."

  6. First Principles-inspired Design Strategies for Graphene-based

    Office of Scientific and Technical Information (OSTI)

    Supercapacitor Electrodes (Journal Article) | SciTech Connect First Principles-inspired Design Strategies for Graphene-based Supercapacitor Electrodes Citation Details In-Document Search Title: First Principles-inspired Design Strategies for Graphene-based Supercapacitor Electrodes Authors: Wood, B C ; Ogitsu, T ; Otani, M ; Biener, J Publication Date: 2013-03-21 OSTI Identifier: 1129973 Report Number(s): LLNL-JRNL-632312 DOE Contract Number: W-7405-ENG-48 Resource Type: Journal Article

  7. First-principles studies on vacancy-modified interstitial diffusion

    Office of Scientific and Technical Information (OSTI)

    mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques (Journal Article) | SciTech Connect First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques Citation Details In-Document Search Title: First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques Authors: Fang, H

  8. First Principles Contributions to the Thermodynamic Assessment of Solid

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

    State Metal Hydride and Complex Hydride Phases | Department of Energy First Principles Contributions to the Thermodynamic Assessment of Solid State Metal Hydride and Complex Hydride Phases First Principles Contributions to the Thermodynamic Assessment of Solid State Metal Hydride and Complex Hydride Phases Presentation on the Thermodynamic Assessment of Solid State Metal Hydride and Complex Hydride Phases given at the DOE Theory Focus Session on Hydrogen Storage Materials on May 18, 2006.

  9. Information and Feedback Institutional Change Principle | Department of

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

    Energy Information and Feedback Institutional Change Principle Information and Feedback Institutional Change Principle Information alone, however, is unlikely to lead to action. Federal and commercial programs have demonstrated reductions in energy use from delivery of reports to customers. By providing actionable information and feedback that are tailored to specific workplace situations, federal agencies can help to spur and maintain behaviors that save energy and resources. Methods

  10. Interface design principles for high-performance organic semiconductor

    Office of Scientific and Technical Information (OSTI)

    devices (Journal Article) | SciTech Connect Interface design principles for high-performance organic semiconductor devices Citation Details In-Document Search Title: Interface design principles for high-performance organic semiconductor devices Organic solar cells (OSCs) are a promising cost-effective candidate in next generation photovoltaic technology. However, a critical bottleneck for OSCs is the electron/hole recombination loss through charge transfer state at the interface, which

  11. Interface design principles for high-performance organic semiconductor

    Office of Scientific and Technical Information (OSTI)

    devices (Journal Article) | SciTech Connect Interface design principles for high-performance organic semiconductor devices Citation Details In-Document Search Title: Interface design principles for high-performance organic semiconductor devices × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional

  12. Algae Testbed Public Private Partnership Workshop on Principles and

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

    Processes: Algae Culture Management, Production and Downstream Harvesting | Department of Energy Algae Testbed Public Private Partnership Workshop on Principles and Processes: Algae Culture Management, Production and Downstream Harvesting Algae Testbed Public Private Partnership Workshop on Principles and Processes: Algae Culture Management, Production and Downstream Harvesting May 16, 2016 1:00PM CDT to May 20, 2016 11:00AM CDT Santa Fe Community College 6401 Richards Avenue Santa Fe, New

  13. Energy Literacy Social Studies Guide - Essential Principle 1 | Department

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

    of Energy 1 Energy Literacy Social Studies Guide - Essential Principle 1 Below is information about the student activity/lesson plan from your search. Grades 9-12 Subject How should the United States deal with nuclear waste? Summary Discussion points related to Essential Principle 1: Energy is a physical quantity that follows precise natural laws. Curriculum Social Studies Time Required 3-4 class periods Owner American Geosciences Institute Lesson Plans/Activity PDF icon

  14. Energy Literacy Social Studies Guide - Essential Principle 4 | Department

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

    of Energy 4 Energy Literacy Social Studies Guide - Essential Principle 4 Below is information about the student activity/lesson plan from your search. Grades 9-12 Summary Discussion points related to Essential Principle 4: Various sources of energy can be used to power human activities, and often this energy must be transferred from source to destination. Curriculum Social Studies Time Required 3-4 class periods Owner American Geosciences Institute Lesson Plans/Activity PDF icon

  15. NREL: Transmission Grid Integration - Technical Review Committee Principles

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

    for Integration Studies Technical Review Committee Principles for Integration Studies Working with the U.S. Department of Energy's National Renewable Energy Laboratory (NREL), the Utility Wind Integration Group has issued a set of principles for Technical Review Committee participation in wind integration studies. Coming from years of Utility Wind Integration Group and NREL Technical Review Committee involvement in a number of wind integration studies, this document provides guidance for

  16. Are the invariance principles really truly Lorentz covariant?

    SciTech Connect (OSTI)

    Arunasalam, V.

    1994-02-01

    It is shown that some sections of the invariance (or symmetry) principles such as the space reversal symmetry (or parity P) and time reversal symmetry T (of elementary particle and condensed matter physics, etc.) are not really truly Lorentz covariant. Indeed, I find that the Dirac-Wigner sense of Lorentz invariance is not in full compliance with the Einstein-Minkowski reguirements of the Lorentz covariance of all physical laws (i.e., the world space Mach principle).

  17. Time-dependent first-principles approaches to PV materials

    SciTech Connect (OSTI)

    Miyamoto, Yoshiyuki

    2013-12-10

    Computational scheme for designing photovoltaic (PV) materials is presented. First-principles electron dynamics of photo-excitation and subsequent electron-hole splitting is performed based on the time-dependent density functional theory. Photo-induced enhancement of dipole moment was observed in a polar crystal and a donor-acceptor molecular pair. These experiences will pave a way to design PV material from first-principles simulations.

  18. Energy Literacy Social Studies Guide - Essential Principle 2 | Department

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

    of Energy 2 Energy Literacy Social Studies Guide - Essential Principle 2 Below is information about the student activity/lesson plan from your search. Grades 9-12 Subject How has water shaped human settlement? Summary Discussion points related to Essential Principle 2: Physical processes on Earth are the result of energy flow through the Earth system. Curriculum Social Studies Time Required 3-4 class periods Owner American Geosciences Institute Lesson Plans/Activity PDF icon

  19. Energy Literacy Social Studies Guide - Essential Principle 5 | Department

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

    of Energy 5 Energy Literacy Social Studies Guide - Essential Principle 5 Below is information about the student activity/lesson plan from your search. Grades 9-12 Subject Should the U.S. Government subsidize specific energy initiatives? Summary Discussion points related to Essential Principle 5: Energy decisions are influenced by economic, political, environmental, and social factors. Curriculum Social Studies Time Required 3-4 class periods Owner American Geosciences Institute Lesson

  20. ASU EFRC - Principal investigators

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

    Principal investigators Ana Moore Principal Investigator Subtask 4 Leader Anne Jones Principal Investigator Devens Gust Director of the Center Principal Investigator Don Seo...

  1. Y-12 Sustainable Design Principles for Building Design and Construction

    SciTech Connect (OSTI)

    Jackson, J. G.

    2008-11-01

    B&W Y-12 is committed to modernizing the Y-12 complex to meet future needs with a sustainable and responsive infrastructure and to integrating sustainability principles and practices into Y-12 work (Y72-001, B&W Y-12 Environmental, Safety and Health Policy). This commitment to sustainability and specifically sustainable design of buildings is also incorporated into Presidential Executive Orders (EO), DOE Orders (DOE O), and goals. Sustainable building design is an approach to design, construct, and operate facilities in an efficient and environmentally sound manner that will produce a healthful, resource-efficient and productive working environment that is inherently protective of the environment. The DOE has established the following 5 Guiding Principles for High Performance Sustainable Building (HPSB), and has issued directives that require Y-12 to incorporate the principles and a number of supporting specific practices and techniques into building design, construction and renovation projects: (1) Employ Integrated Design Principles; (2) Optimize Energy Performance; (3) Protect and Conserve Water; (4) Enhance Indoor Environmental Quality; and (5) Reduce Environmental Impact of Materials. The purpose of this document is to present the required sustainable building principles, practices and techniques, summarize the key drivers for incorporating them into Y-12 projects, and present additional recommendations and resources that can be used to support sustainable buildings to enhance the environmental and economic performance of the Y-12 Complex.

  2. Materials Databases Infrastructure Constructed by First Principles Calculations: A Review

    SciTech Connect (OSTI)

    Lin, Lianshan

    2015-10-13

    The First Principles calculations, especially the calculation based on High-Throughput Density Functional Theory, have been widely accepted as the major tools in atom scale materials design. The emerging super computers, along with the powerful First Principles calculations, have accumulated hundreds of thousands of crystal and compound records. The exponential growing of computational materials information urges the development of the materials databases, which not only provide unlimited storage for the daily increasing data, but still keep the efficiency in data storage, management, query, presentation and manipulation. This review covers the most cutting edge materials databases in materials design, and their hot applications such as in fuel cells. By comparing the advantages and drawbacks of these high-throughput First Principles materials databases, the optimized computational framework can be identified to fit the needs of fuel cell applications. The further development of high-throughput DFT materials database, which in essence accelerates the materials innovation, is discussed in the summary as well.

  3. Design Principles for Effective Knowledge Discovery from Big Data

    SciTech Connect (OSTI)

    Begoli, Edmon; Horey, James L

    2012-01-01

    Big data phenomenon refers to the practice of collection and processing of very large data sets and associated systems and algorithms used to analyze these massive datasets. Architectures for big data usually range across multiple machines and clusters, and they commonly consist of multiple special purpose sub-systems. Coupled with the knowledge discovery process, big data movement offers many unique opportunities for organizations to benefit (with respect to new insights, business optimizations, etc.). However, due to the difficulty of analyzing such large datasets, big data presents unique systems engineering and architectural challenges. In this paper, we present three sys- tem design principles that can inform organizations on effective analytic and data collection processes, system organization, and data dissemination practices. The principles presented derive from our own research and development experiences with big data problems from various federal agencies, and we illustrate each principle with our own experiences and recommendations.

  4. Half metallic ferromagnetism in alkali metal nitrides MN (M = Rb, Cs): A first principles study

    SciTech Connect (OSTI)

    Murugan, A. Rajeswarapalanichamy, R. Santhosh, M. Sudhapriyanga, G.; Kanagaprabha, S.

    2014-04-24

    The structural, electronic and elastic properties of two alkali metal nitrides (MN: M= Rb, Cs) are investigated by the first principles calculations based on density functional theory using the Vienna ab-initio simulation package. At ambient pressure the two nitrides are stable in ferromagnetic state with CsCl structure. The calculated lattice parameters are in good agreement with the available results. The electronic structure reveals that these materials are half metallic in nature. A pressure-induced structural phase transition from CsCl to ZB phase is observed in RbN and CsN.

  5. Guiding Principles for Sustainable Existing Buildings: Radiochemical Processing Laboratory

    SciTech Connect (OSTI)

    Pope, Jason E.

    2013-11-11

    In 2006, the United States (U.S.) Department of Energy (DOE) signed the Federal Leadership in High Performance and Sustainable Buildings Memorandum of Understanding (MOU), along with 21 other agencies. Pacific Northwest National Laboratory (PNNL) is exceeding this requirement and, currently, about 25 percent of its buildings are High Performance and Sustainable Buildings. The pages that follow document the Guiding Principles conformance effort for the Radiochemical Processing Laboratory (RPL) at PNNL. The RPL effort is part of continued progress toward a building inventory that is 100 percent compliant with the Guiding Principles.

  6. DOE, Tribes sign a renewal of the Agreement in Principle

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

    DOE, Tribes sign a renewal of the Agreement in Principle FORT HALL--The Shoshone-Bannock Tribes and the Department of Energy - Idaho Operations Office recently signed a new Agreement in Principle, thus renewing the formal relationship between the two parties for another five-year period. Lee Juan Tyler, Vice Chairman of the Shoshone-Bannock Tribes (left) and Elizabeth Sellers, manager, DOE Idaho Operations Office (Right) Photo courtesy of Lori Edmo-Suppah, Sho-Ban News. The photo shows the

  7. Energy Literacy Social Studies Guide - Essential Principle 6 | Department

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

    of Energy 6 Energy Literacy Social Studies Guide - Essential Principle 6 Below is information about the student activity/lesson plan from your search. Grades 9-12 Subject How much energy do I need? Summary Discussion points related to Essential Principle 6: The amount of energy used by human society depends on many factors. Curriculum Social Studies Time Required 3-4 class periods Owner American Geosciences Institute Lesson Plans/Activity PDF icon EL6_SocStudiesGuides_AGI.pdf More Documents

  8. Energy Literacy Social Studies Guide - Essential Principle 3 | Department

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

    of Energy 3 Energy Literacy Social Studies Guide - Essential Principle 3 Below is information about the student activity/lesson plan from your search. Grades 9-12 Subject Where does our food come from? Summary Discussion points related to Essential Principle 3: Biological processes depend on energy flow through the Earth system. Curriculum Social Studies Time Required 3-4 class periods Owner American Geosciences Institute Lesson Plans/Activity PDF icon EL3_SocStudiesGuides_AGI.pdf More

  9. Basic principles of the surface harmonics method: Flat geometry

    SciTech Connect (OSTI)

    Kovalishin, A. A.

    2011-12-15

    The basic principles of the surface harmonics method are described. A one-dimensional problem is used to exemplify the specific features of the method and the algorithms for construction of finite-difference equations. The objective of this study is to popularize the surface harmonics method among specialists.

  10. State Agreement-In-Principle Program Guidance Memorandum

    Broader source: Energy.gov [DOE]

    DATE: December 22, 1995REPLY TO ATTN OF: EM-75SUBJECT: State Agreement-in-Principle Program GuidanceTO: Manager, Albuquerque Operations Office       Manager, Chicago Operations Office       Manager...

  11. Predicting the cosmological constant from the causal entropic principle

    SciTech Connect (OSTI)

    Bousso, Raphael; Harnik, Roni; Kribs, Graham D.; Perez, Gilad

    2007-08-15

    We compute the expected value of the cosmological constant in our universe from the causal entropic principle. Since observers must obey the laws of thermodynamics and causality, the principle asserts that physical parameters are most likely to be found in the range of values for which the total entropy production within a causally connected region is maximized. Despite the absence of more explicit anthropic criteria, the resulting probability distribution turns out to be in excellent agreement with observation. In particular, we find that dust heated by stars dominates the entropy production, demonstrating the remarkable power of this thermodynamic selection criterion. The alternative approach - weighting by the number of 'observers per baryon' - is less well-defined, requires problematic assumptions about the nature of observers, and yet prefers values larger than present experimental bounds.

  12. Predicting the Cosmological Constant from the Causal Entropic Principle

    SciTech Connect (OSTI)

    Bousso, Raphael; Bousso, Raphael; Harnik, Roni; Kribs, Graham D.; Perez, Gilad

    2007-05-01

    We compute the expected value of the cosmological constant in our universe from the Causal Entropic Principle. Since observers must obey the laws of thermodynamics and causality, the principle asserts that physical parameters are most likely to be found in the range of values for which the total entropy production within a causally connected region is maximized. Despite the absence of more explicit anthropic criteria, the resulting probability distribution turns out to be in excellent agreement with observation. In particular, we find that dust heated by stars dominates the entropy production, demonstrating the remarkable power of this thermodynamic selection criterion. The alternative approach-weighting by the number of"observers per baryon" -- is less well-defined, requires problematic assumptions about the nature of observers, and yet prefers values larger than present experimental bounds.

  13. Theory meets reality: Combined first principles modeling and

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

    characterization studies of renewable energy materials | Solid State Solar Thermal Energy Conversion Theory meets reality: Combined first principles modeling and characterization studies of renewable energy materials Seminar Thursday Apr 7, 2016 2:00pm Location: 13-3038 Speaker: Maria Chan, Assistant Scientist, Center for Nanoscale Materials, Argonne National Laboratory Event Contact: rschusky@mit.edu S3TEC welcomes Dr. Maria Chan, Asssistant Scientist, Center for Nanoscale Materials,

  14. Design Principles of Coherent Photosynthetic Energy Transport: Insights

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

    from Two Dimensional Electronic Spectroscopy | MIT-Harvard Center for Excitonics Design Principles of Coherent Photosynthetic Energy Transport: Insights from Two Dimensional Electronic Spectroscopy November 10, 2009 at 3pm/36-428 Greg Engel Department of Chemistry, The James Franck Institute, University of Chicago engel abstract: Life on earth is effectively solar powered, yet how energy moves through photosynthetic complexes prior to the biochemical steps of photosynthesis is still not

  15. OCPR - HQ Mediation program ADR PRINCIPLES OF CONFLICT RESOLUTION

    Energy Savers [EERE]

    10) OCPR - HQ MEDIATION PROGRAM ADR PRINCIPLES OF CONFLICT RESOLUTION 1. Listen Actively Listening is the most important part of communication. If we do not hear what the other parties are communicating we cannot resolve a conflict. Active listening also includes noticing what the other person is saying with intonation and body language. 2. Think Before Reacting The tendency in a conflict situation is to react immediately. In emergencies, fast physical reaction can save lives. In workplace

  16. First Principles Calculations and NMR Spectroscopy of Electrode Materials |

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

    Department of Energy 1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon es054_2011_ceder_o.pdf More Documents & Publications Vehicle Technologies Office Merit Review 2014: First Principles Calculations and NMR Spectroscopy of Electrode Materials FY 2011 Annual Progress Report for Energy Storage R&D FY 2012 Annual Progress Report for Energy Storage R&D

  17. Strategic principles workshops: Discussion drafts and workshop notes

    SciTech Connect (OSTI)

    1991-09-01

    The Office of Civilian Radioactive Waste-Management in the Department of Energy (DOE) is responsible for disposing of this nation`s spent fuel and high-level radioactive waste in a manner that protects the health and safety of the public and the quality of the environment. Although embodied in the Federal repository program that began with studies in the late 1950s, this mission was explicitly established by the Nuclear Waste Policy Act of 1982 and reaffirmed by the Nuclear Waste Policy Amendments Act of 1987. To fulfill our mission, we are developing a waste management system consisting of a geologic repository for permanent disposal deep beneath the surface of the earth, a facility for monitored retrievable storage, and a system for transporting the waste. This discussion draft was developed to help involve parties affected by or interested in the waste-management program in the formulation of the basic principles on which the program will be based. It reviews existing objectives, policies, and strategic principles under which the system is currently being developed. Then discussed are issues of strategic importance for which additional strategic principles may be needed. For these issues in particular, views from affected and interested parties is solicited, but comments regarding alternative approaches to the issues presented as well as suggestions for additional issues will also be welcome. Finally, background information on the waste-management program pertinent to the issues discussion is presented.

  18. Possible dynamical explanations for Paltridge's principle of maximum entropy production

    SciTech Connect (OSTI)

    Virgo, Nathaniel Ikegami, Takashi

    2014-12-05

    Throughout the history of non-equilibrium thermodynamics a number of theories have been proposed in which complex, far from equilibrium flow systems are hypothesised to reach a steady state that maximises some quantity. Perhaps the most celebrated is Paltridge's principle of maximum entropy production for the horizontal heat flux in Earth's atmosphere, for which there is some empirical support. There have been a number of attempts to derive such a principle from maximum entropy considerations. However, we currently lack a more mechanistic explanation of how any particular system might self-organise into a state that maximises some quantity. This is in contrast to equilibrium thermodynamics, in which models such as the Ising model have been a great help in understanding the relationship between the predictions of MaxEnt and the dynamics of physical systems. In this paper we show that, unlike in the equilibrium case, Paltridge-type maximisation in non-equilibrium systems cannot be achieved by a simple dynamical feedback mechanism. Nevertheless, we propose several possible mechanisms by which maximisation could occur. Showing that these occur in any real system is a task for future work. The possibilities presented here may not be the only ones. We hope that by presenting them we can provoke further discussion about the possible dynamical mechanisms behind extremum principles for non-equilibrium systems, and their relationship to predictions obtained through MaxEnt.

  19. Materials Databases Infrastructure Constructed by First Principles Calculations: A Review

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

    Lin, Lianshan

    2015-10-13

    The First Principles calculations, especially the calculation based on High-Throughput Density Functional Theory, have been widely accepted as the major tools in atom scale materials design. The emerging super computers, along with the powerful First Principles calculations, have accumulated hundreds of thousands of crystal and compound records. The exponential growing of computational materials information urges the development of the materials databases, which not only provide unlimited storage for the daily increasing data, but still keep the efficiency in data storage, management, query, presentation and manipulation. This review covers the most cutting edge materials databases in materials design, and their hotmore » applications such as in fuel cells. By comparing the advantages and drawbacks of these high-throughput First Principles materials databases, the optimized computational framework can be identified to fit the needs of fuel cell applications. The further development of high-throughput DFT materials database, which in essence accelerates the materials innovation, is discussed in the summary as well.« less

  20. A general maximum entropy framework for thermodynamic variational principles

    SciTech Connect (OSTI)

    Dewar, Roderick C.

    2014-12-05

    Minimum free energy principles are familiar in equilibrium thermodynamics, as expressions of the second law. They also appear in statistical mechanics as variational approximation schemes, such as the mean-field and steepest-descent approximations. These well-known minimum free energy principles are here unified and extended to any system analyzable by MaxEnt, including non-equilibrium systems. The MaxEnt Lagrangian associated with a generic MaxEnt distribution p defines a generalized potential ? for an arbitrary probability distribution p-hat, such that ? is a minimum at (p-hat) = p. Minimization of ? with respect to p-hat thus constitutes a generic variational principle, and is equivalent to minimizing the Kullback-Leibler divergence between p-hat and p. Illustrative examples of min? are given for equilibrium and non-equilibrium systems. An interpretation of changes in ? is given in terms of the second law, although min? itself is an intrinsic variational property of MaxEnt that is distinct from the second law.

  1. Investigations | Department of Energy

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

    Investigations Investigations Investigations The Office of Investigations performs investigations into allegations of fraud, waste, and abuse in programs and operations of the Department, NNSA and FERC. Priority is given to investigations of suspected violations of criminal and civil statutes, as well as serious administrative misconduct. Particular focus is placed on the prevention and detection of contract and grant fraud; environmental, health and safety violations; computer crimes; and

  2. Accident Investigation Handbook

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

    ... investigator to think in terms other than causal series, ... backwards, it is easy to oversimplify the search for causes. ... may have as they enter the investigation process ...

  3. First-principles equation of state of polystyrene and its effect on inertial confinement fusion implosions

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

    Hu, S. X.; Collins, L. A.; Goncharov, V. N.; Kress, J. D.; McCrory, R. L.; Skupsky, S.

    2015-10-14

    Obtaining an accurate equation of state (EOS) of polystyrene (CH) is crucial to reliably design inertial confinement fusion (ICF) capsules using CH/CH-based ablators. Thus, with first-principles calculations, we have investigated the extended EOS of CH over a wide range of plasma conditions (ρ = 0.1 to 100 g/cm3 and T = 1,000 to 4,000,000 K). When compared with the widely used SESAME-EOS table, the first-principles equation of state (FPEOS) of CH has shown significant differences in the low-temperature regime, in which strong coupling and electron degeneracy play an essential role in determining plasma properties. Hydrodynamic simulations of cryogenic target implosionsmore » on OMEGA using the FPEOS table of CH have predicted ~5% reduction in implosion velocity and ~30% decrease in neutron yield in comparison with the usual SESAME simulations. This is attributed to the ~10% lower mass ablation rate of CH predicted by FPEOS. Simulations using CH-FPEOS show better agreement with measurements of Hugoniot temperature and scattered lights from ICF implosions.« less

  4. First-principles equation of state of polystyrene and its effect on inertial confinement fusion implosions

    SciTech Connect (OSTI)

    Hu, S. X.; Collins, L. A.; Goncharov, V. N.; Kress, J. D.; McCrory, R. L.; Skupsky, S.

    2015-10-14

    Obtaining an accurate equation of state (EOS) of polystyrene (CH) is crucial to reliably design inertial confinement fusion (ICF) capsules using CH/CH-based ablators. Thus, with first-principles calculations, we have investigated the extended EOS of CH over a wide range of plasma conditions (ρ = 0.1 to 100 g/cm3 and T = 1,000 to 4,000,000 K). When compared with the widely used SESAME-EOS table, the first-principles equation of state (FPEOS) of CH has shown significant differences in the low-temperature regime, in which strong coupling and electron degeneracy play an essential role in determining plasma properties. Hydrodynamic simulations of cryogenic target implosions on OMEGA using the FPEOS table of CH have predicted ~5% reduction in implosion velocity and ~30% decrease in neutron yield in comparison with the usual SESAME simulations. This is attributed to the ~10% lower mass ablation rate of CH predicted by FPEOS. Simulations using CH-FPEOS show better agreement with measurements of Hugoniot temperature and scattered lights from ICF implosions.

  5. FIRST-PRINCIPLES PHASE STABILITY IN THE TI-V ALLOY SYSTEM (Journal...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: FIRST-PRINCIPLES PHASE STABILITY IN THE TI-V ALLOY SYSTEM Citation Details In-Document Search Title: FIRST-PRINCIPLES PHASE STABILITY IN THE TI-V ALLOY SYSTEM ...

  6. A Proof-of-Principle Echo-enabled Harmonic Generation Free Electron...

    Office of Scientific and Technical Information (OSTI)

    ThesisDissertation: A Proof-of-Principle Echo-enabled Harmonic Generation Free Electron Laser Experiment at SLAC Citation Details In-Document Search Title: A Proof-of-Principle...

  7. Microsoft Word - Approved EERE-National Laboratory Guiding Principles March 9 2015

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

    EERE-National Laboratory Guiding Principles March 9, 2015 March 9, 2015 i EXECUTIVE SUMMARY The purpose of this document is to establish a set of principles that will guide and empower EERE and laboratory employees to ensure that the National Laboratories deliver innovative and transformative scientific and technological solutions to energy, security, economic, and environmental challenges facing the United States in the 21st century. These core principles, operating principles, and

  8. DEBRIEF OF CENTRAL PLATEAU INNER AREA PRINCIPLES Questions:

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

    DEBRIEF OF CENTRAL PLATEAU INNER AREA PRINCIPLES Questions:  What is the definition for industrial vs residential land use?  Are the local DOE office(s) and HQ in agreement about what needs to be done?  Concerning the new ideas for characterization (bullet 3), how does HAB present ideas, how much detail is required, and how does the HAB know if these ideas have been considered earlier?  What is the difference between MTCA -B and -C level cleanup as applied to the Inner Area?  What

  9. Variational principles for eigenvalues of the Klein-Gordon equation

    SciTech Connect (OSTI)

    Langer, Matthias; Tretter, Christiane

    2006-10-15

    In this paper variational principles for eigenvalues of an abstract model of the Klein-Gordon equation with electromagnetic potential are established. They are used to characterize and estimate eigenvalues in cases where the essential spectrum has a gap around 0, even in the presence of complex eigenvalues. As a consequence, a comparison between eigenvalues of the Klein-Gordon equation in R{sup d} and eigenvalues of certain Schroedinger operators is obtained. The results are illustrated on examples including the Klein-Gordon equation with Coulomb and square-well potential.

  10. Essential Principles of Energy Videos Student Analysis Guide

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

    Student Analysis Guide 1. Read the Energy Literacy Framework Principle #_____ and fill in a KWL Chart. What I know What I want to know What I learned 2 2. Do you know where energy comes from? Many people don't understand energy well. As we try to become aware of new information, it is usually best to think about what we already know, and what we might have misconceptions about. That is, what questions we can answer, and what questions we cannot answer. In fact, sometimes when we guess and get an

  11. Central Plateau Principles Public Involvement Advice DETAILED BACKGROUND

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

    v0, 12/9/14 Central Plateau Principles Public Involvement Advice DETAILED BACKGROUND Cleanup of Hanford's Central Plateau is expected to take another four decades or longer, and cost tens of billions of dollars. The Central Plateau includes the 200 East and 200 West Areas with all of Hanford's High-Level Nuclear Waste Tank Farms, processing plants, sites where over a million gallons of High-Level Nuclear Waste has leaked from Single Shell Tanks (SSTs), and billions of gallons of waste was

  12. Coherent electron cooling proof of principle instrumentation design

    SciTech Connect (OSTI)

    Gassner D. M.; Litvinenko, V.; Michnoff, R.; Miller, T.; Minty, M.; Pinayev, I.

    2012-04-15

    The goal of the Coherent Electron Cooling Proof-of-Principle (CeC PoP) experiment being designed at RHIC is to demonstrate longitudinal (energy spread) cooling before the expected CD-2 for eRHIC. The scope of the experiment is to longitudinally cool a single bunch of 40 GeV/u gold ions in RHIC. This paper will describe the instrumentation systems proposed to meet the diagnostics challenges. These include measurements of beam intensity, emittance, energy spread, bunch length, position, orbit stability, and transverse and temporal alignment of electron and ion beams.

  13. 2016 Guiding Principles for Sustainable Federal Buildings Updates Crosswalks: Existing Buildings and New Construction and Modernization

    Broader source: Energy.gov [DOE]

    To assist agencies with the transition between the 2008 Guiding Principles and the updated 2016 Guiding Principles, the Federal Energy Management Program (FEMP) developed two crosswalk guidance documents to explain and highlight the differences between the 2016 and 2008 versions of the Guiding Principles for existing buildings and for new construction and modernization.

  14. Computational Investigations of Solid-Liquid Interfaces

    SciTech Connect (OSTI)

    Mark Asta

    2011-08-31

    In a variety of materials synthesis and processing contexts, atomistic processes at heterophase interfaces play a critical role governing defect formation, growth morphologies, and microstructure evolution. Accurate knowledge of interfacial structure, free energies, mobilities and segregation coefficients are critical for predictive modeling of microstructure evolution, yet direct experimental measurement of these fundamental interfacial properties remains elusive in many cases. In this project first-principles calculations were combined with molecular-dynamics (MD) and Monte-Carlo (MC) simulations, to investigate the atomic-scale structural and dynamical properties of heterophase interfaces, and the relationship between these properties and the calculated thermodynamic and kinetic parameters that influence the evolution of phase transformation structures at nanometer to micron length scales. The topics investigated in this project were motivated primarily by phenomena associated with solidification processing of metals and alloys, and the main focus of the work was thus on solid-liquid interfaces and high-temperature grain boundaries. Additional efforts involved first-principles calculations of coherent solid-solid heterophase interfaces, where a close collaboration with researchers at the National Center for Electron Microscopy was undertaken to understand the evolution of novel core-shell precipitate microstructures in aluminum alloys.

  15. Local strain effect on the band gap engineering of graphene by a first-principles study

    SciTech Connect (OSTI)

    Gui, Gui; Booske, John; Ma, Zhenqiang E-mail: mazq@engr.wisc.edu; Morgan, Dane; Zhong, Jianxin E-mail: mazq@engr.wisc.edu

    2015-02-02

    We have systematically investigated the effect of local strain on electronic properties of graphene by first-principles calculations. Two major types of local strain, oriented along the zigzag and the armchair directions, have been studied. We find that local strain with a proper range and strength along the zigzag direction results in opening of significant band gaps in graphene, on the order of 10{sup ?1?}eV; whereas, local strain along the armchair direction cannot open a significant band gap in graphene. Our results show that appropriate local strain can effectively open and tune the band gap in graphene; therefore, the electronic and transport properties of graphene can also be modified.

  16. Variational principles with Pad approximants for tearing mode analysis

    SciTech Connect (OSTI)

    Cole, Andrew J.; Finn, John M.

    2014-03-15

    Tearing modes occur in several distinct physical regimes, and it is often important to compute the inner layer response for these modes with various effects. There is a need for an approximate and efficient method of solving the inner layer equations in all these regimes. In this paper, we introduce a method of solving the inner layer equations based on using a variational principle with Pad approximants. For all the regimes considered, the main layer equations to be solved are inhomogeneous, and Pad approximants give a convenient and efficient method of satisfying the correct asymptotic behavior at the edge of the layer. Results using this variational principlePad approximant method in three of these regimes is presented. These regimes are the constant-? resistive-inertial (RI) regime, the constant-? viscoresistive regime, and the non-constant-? inviscid tearing regime. The last regime includes the constant-? RI regime and the inertial regime. The results show that reasonable accuracy can be obtained very efficiently with Pad approximants having a small number of parameters.

  17. Dynamics in microbial communities: Unraveling mechanisms to identify principles

    SciTech Connect (OSTI)

    Konopka, Allan; Lindemann, Stephen R.; Fredrickson, Jim K.

    2015-07-01

    Diversity begets higher order properties such as functional stability and robustness in microbial communities, but principles that inform conceptual (and eventually predictive) models of community dynamics are lacking. Recent work has shown that selection as well as dispersal and drift shape communities, but the mechanistic bases for assembly of communities and the forces that maintain their function in the face of environmental perturbation are not well understood. Conceptually, some interactions among community members could generate endogenous dynamics in composition, even in the absence of environmental changes. These endogenous dynamics are further perturbed by exogenous forcing factors to produce a richer network of community interactions, and it is this “system” that is the basis for higher order community properties. Elucidation of principles that follow from this conceptual model requires identifying the mechanisms that (a) optimize diversity within a community and (b) impart community stability. The network of interactions between organisms can be an important element by providing a buffer against disturbance beyond the effect of functional redundancy, as alternative pathways with different combinations of microbes can be recruited to fulfill specific functions.

  18. FBP Notice to Investigate

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

    to support the investigation will be sent separately via email. Under the Major Fraud Act (MFA), as amended, 41 U.S.C. 4310, this investigation may be a proceeding...

  19. Foreign-national Investigators

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

    Foreign-national Investigators Foreign National Investigators must have access to B174 shown on their badge. Foreign National Investigators must notify Beth Mariotti by e-mail of their first intended presence in B174. By September 2009, it is expected that there will be no restrictions on computer use by Foreign National Investigators at JLF. However, LLNL prohibits the use of personally-owned computers on-site

  20. Hydrogen storage in LiH: A first principle study

    SciTech Connect (OSTI)

    Banger, Suman Nayak, Vikas Verma, U. P.

    2014-04-24

    First principles calculations have been performed on the Lithium hydride (LiH) using the full potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory. We have extended our calculations for LiH+2H and LiH+6H in NaCl structure. The structural stability of three compounds have been studied. It is found that LiH with 6 added Hydrogen atoms is most stable. The obtained results for LiH are in good agreement with reported experimental data. Electronic structures of three compounds are also studied. Out of three the energy band gap in LiH is ∼3.0 eV and LiH+2H and LiH+6H are metallic.

  1. Anaerobic digestion of hog wastes: Principles and practice

    SciTech Connect (OSTI)

    Oleszkiewicz, J.A.; Bujoczek, G.

    1996-12-31

    The principles and overview of research, development and implementation of anaerobic digestion for hog wastes are discussed. Based on economic evaluations, an anaerobic technology is cost-effective, especially for a larger herd and becomes more competitive with aerobic treatment. Nevertheless, the rate of treatment is more sensitive and dependent on the particular fraction of manure being processed. Considering the different factors affecting anaerobic digestion, a complete mixed reactor with solids recycle (having high solids retention time and low hydraulic retention time) was found to be the more reliable system with regards to methane generation and manure stabilization. By solids recycle one can obtain significant saving in the reactor volume required, while still achieving the expected degree of treatment. It was also found that even though treatment using advanced anaerobic systems when compared with simple anaerobic systems is more expensive, the rate of return on investment and efficiency of the process are higher.

  2. Predicting the Cosmological Constant from the CausalEntropic Principle

    SciTech Connect (OSTI)

    Bousso, Raphael; Harnik, Roni; Kribs, Graham D.; Perez, Gilad

    2007-02-20

    We compute the expected value of the cosmological constant in our universe from the Causal Entropic Principle. Since observers must obey the laws of thermodynamics and causality, it asserts that physical parameters are most likely to be found in the range of values for which the total entropy production within a causally connected region is maximized. Despite the absence of more explicit anthropic criteria, the resulting probability distribution turns out to be in excellent agreement with observation. In particular, we find that dust heated by stars dominates the entropy production, demonstrating the remarkable power of this thermodynamic selection criterion. The alternative approach--weighting by the number of ''observers per baryon''--is less well-defined, requires problematic assumptions about the nature of observers, and yet prefers values larger than present experimental bounds.

  3. Accident Investigation Handbook

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

    ... as shown in Figure 2-2. Investigation Electronic File Structure Assessments Timeline ... Lessons to be Learned Evidence Files (log books, training, etc.) Tasking Letter Deep ...

  4. First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene

    SciTech Connect (OSTI)

    Gu, Xiaokun; Yang, Ronggui

    2015-01-14

    There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic properties than graphene. However, its thermal transport properties have not been fully studied. In this paper, we apply the first-principles-based phonon Boltzmann transport equation to investigate the thermal conductivity of silicene as well as the phonon scattering mechanisms. Although both graphene and silicene are two-dimensional crystals with similar crystal structure, we find that phonon transport in silicene is quite different from that in graphene. The thermal conductivity of silicene shows a logarithmic increase with respect to the sample size due to the small scattering rates of acoustic in-plane phonon modes, while that of graphene is finite. Detailed analysis of phonon scattering channels shows that the linear dispersion of the acoustic out-of-plane (ZA) phonon modes, which is induced by the buckled structure, makes the long-wavelength longitudinal acoustic phonon modes in silicene not as efficiently scattered as that in graphene. Compared with graphene, where most of the heat is carried by the acoustic out-of-plane (ZA) phonon modes, the ZA phonon modes in silicene only have ?10% contribution to the total thermal conductivity, which can also be attributed to the buckled structure. This systematic comparison of phonon transport and thermal conductivity of silicene and graphene using the first-principle-based calculations shed some light on other two-dimensional materials, such as two-dimensional transition metal dichalcogenides.

  5. Cartan gravity, matter fields, and the gauge principle

    SciTech Connect (OSTI)

    Westman, Hans F.; Zlosnik, Tom G.

    2013-07-15

    Gravity is commonly thought of as one of the four force fields in nature. However, in standard formulations its mathematical structure is rather different from the YangMills fields of particle physics that govern the electromagnetic, weak, and strong interactions. This paper explores this dissonance with particular focus on how gravity couples to matter from the perspective of the Cartan-geometric formulation of gravity. There the gravitational field is represented by a pair of variables: (1) a contact vector V{sup A} which is geometrically visualized as the contact point between the spacetime manifold and a model spacetime being rolled on top of it, and (2) a gauge connection A{sub ?}{sup AB}, here taken to be valued in the Lie algebra of SO(2,3) or SO(1,4), which mathematically determines how much the model spacetime is rotated when rolled. By insisting on two principles, the gauge principle and polynomial simplicity, we shall show how one can reformulate matter field actions in a way that is harmonious with Cartans geometric construction. This yields a formulation of all matter fields in terms of first order partial differential equations. We show in detail how the standard second order formulation can be recovered. In particular, the Hodge dual, which characterizes the structure of bosonic field equations, pops up automatically. Furthermore, the energymomentum and spin-density three-forms are naturally combined into a single object here denoted the spin-energymomentum three-form. Finally, we highlight a peculiarity in the mathematical structure of our first-order formulation of YangMills fields. This suggests a way to unify a U(1) gauge field with gravity into a SO(1,5)-valued gauge field using a natural generalization of Cartan geometry in which the larger symmetry group is spontaneously broken down to SO(1,3)U(1). The coupling of this unified theory to matter fields and possible extensions to non-Abelian gauge fields are left as open questions. -- Highlights: Develops Cartan gravity to include matter fields. Coupling to gravity is done using the standard gauge prescription. Matter actions are manifestly polynomial in all field variables. Standard equations recovered on-shell for scalar, spinor and YangMills fields. Unification of a U(1) field with gravity based on the orthogonal group SO(1,5)

  6. FEMP Offers Updated Training on the Guiding Principles for High-Performance

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

    and Sustainable Buildings | Department of Energy Updated Training on the Guiding Principles for High-Performance and Sustainable Buildings FEMP Offers Updated Training on the Guiding Principles for High-Performance and Sustainable Buildings December 29, 2014 - 2:20pm Addthis The U.S. Department of Energy's Federal Energy Management Program (FEMP) presents an updated series of training courses focused on the Guiding Principles for Federal Leadership in High-Performance and Sustainable

  7. Weston-Principles of Decoupling Florida. August 2008 | Department of Energy

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

    Weston-Principles of Decoupling Florida. August 2008 Weston-Principles of Decoupling Florida. August 2008 Customer-Sited Resoures and Utility Profits: Aligning Incentives with Public Policy goals PDF icon Weston-Principles of Decoupling Florida. August 2008 More Documents & Publications Decoupling: Mechanics and Issues, Presentation to the New Mexico Public Regulation Commission Energy Efficiency Incentives Workshop Overview of Utility Incentives Presentation to the Kansas Corporation

  8. Notice of Investigation Letters

    Broader source: Energy.gov [DOE]

    A notice of intent letter is the first process that the Office of Enforcement takes to notify the contractor that a decision has been made to conduct an investigation for 820, 851, and 824 violations.

  9. Attachment A: AIP Program Principles (Questions and Answers 1-12)

    Broader source: Energy.gov [DOE]

    This attachment contains twelve questions and answers that designate the mandatory AIP provisions that shall be included in new and renegotiated agreements and discusses the principles underlying...

  10. Analyzing and Managing Bill Impacts of Energy Efficiency Programs. Principles and Recommendations

    SciTech Connect (OSTI)

    none,

    2011-07-01

    Provides policymakers with principles and recommendations to understand and manage concerns about bill and rate impacts resulting from requiring utilities to provide efficiency programs.

  11. EA-1992: Funding for Principle Power, Inc., for the WindFloat...

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

    Pacific Offshore Wind Demonstration Project, offshore of Coos Bay, Oregon EA-1992: Funding for Principle Power, Inc., for the WindFloat Pacific Offshore Wind Demonstration ...

  12. Qbox First-principles Molecular Dynamics (Qball branch, svn release 081

    Energy Science and Technology Software Center (OSTI)

    2013-03-05

    Qball is a modified version of the open source Qbox first-principles molecular dynamics code which was originally developed at LLNL by Francois Gygi.

  13. Vehicle Technologies Office Merit Review 2014: First Principles Calculations and NMR Spectroscopy of Electrode Materials

    Broader source: Energy.gov [DOE]

    Presentation given by [company name] at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about first principles calculations...

  14. AVTA: 2009 BWM Mini-E All-Electric Vehicle Testing Report

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on an all-electric 2009 BMW Mini-e, a demonstration vehicle not available on the market. The baseline performance testing provides a point of comparison for the other test results. This research was conducted by Idaho National Laboratory.

  15. AVTA: 2012 Mitsubishi i-MiEV All-Electric Vehicle Testing Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  16. AVTA: 2014 Mazda Mazda3 i-ELOOP Vehicle Testing Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road....

  17. AVTA: 2013 Ford C-Max Energi Fleet PHEV Testing Results

    Broader source: Energy.gov [DOE]

    VTO's National Laboratories have tested and collected both dynamometer and fleet data for the Ford CMAX Energi (a plug-in hybrid electric vehicle).

  18. Vehicle Technologies Office: AVTA- Electric Vehicle Charging Equipment (EVSE) Testing Data

    Broader source: Energy.gov [DOE]

    Idaho National Laboratory, supported by the Vehicle Technologies Office (VTO), collects data on how electric vehicle supply equipment (electric car chargers), including AC Level 1, AC Level 2, DC fast chargers, and wireless chargers, function and interact with vehicles so that researchers can continue to improve the technology.

  19. AVTA: 2014 Smart Electric Drive Coupe All-Electric Vehicle Testing Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  20. AVTA: Chrysler RAM Experimental PHEV Pickup Truck Recovery Act Project Testing Results Phase 1

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following reports describe results of testing done on a 2011 Chrysler RAM PHEV, a demonstration vehicle not currently available for sale. The baseline performance testing provides a point of comparison for the other test results. Taken together, these reports give an overall view of how this vehicle functions under extensive testing. This research was conducted by Idaho National Laboratory.

  1. AVTA: Chrysler RAM Experimental PHEV Pickup Truck Recovery Act Project Testing Results- Phase 2

    Broader source: Energy.gov [DOE]

    The following reports describe results of testing done on a 2011 Chrysler RAM PHEV, a demonstration vehicle not currently available for sale.

  2. AVTA: Chrysler RAM Experimental PHEV Pickup Truck Recovery Act project map

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following map describes the distribution of vehicles for a project with the 2011 Chrysler RAM PHEV, a demonstration vehicle not currently available for sale. This research was conducted by Idaho National Laboratory.

  3. AVTA: Testing Results on the USPS Long-life Vehicle Conversions...

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

    AEV conversions (2010) - EDAG report USPS e-Long Life Vehicle AEV conversions (2010) - Quantum report USPS e-Long Life Vehicle AEV conversions (2010) - Zap report USPS e-Long Life...

  4. AVTA: ChargePoint America Recovery Act project map of charging units

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following reports describe the distribution of charging infrastructure through the Chargepoint America project, which deployed 4,600 public and home charging stations throughout the U.S. This research was conducted by Idaho National Laboratory.

  5. AVTA: Quantifying the Effects of Idle Stop Systems on Fuel Economy

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. This report gives an overall analysis of stop-start technology. This research was conducted by Idaho National Laboratory.

  6. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for NASA Glenn Research Center

    SciTech Connect (OSTI)

    Schey, Stephen; Francfort, Jim

    2014-10-01

    The Advanced Vehicle Testing Activity’s study seeks to collect and evaluate data to validate the utilization of advanced plug-in electric vehicle (PEV) transportation. This report focuses on the NASA Glenn Research Center (GRC) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of PEVs into the agencies’ fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (collectively referred to as PEVs) can fulfill the mission requirements.

  7. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for National Institute of Health

    SciTech Connect (OSTI)

    Schey, Stephen; Francfort, Jim

    2014-11-01

    This report focuses on the National Institute of Health (NIH) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of plug-in electric vehicles (PEVs) into the agencies’ fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle (BEV) or plug-in hybrid electric vehicle (PHEV) (collectively plug-in electric vehicles, or PEVs) can fulfill the mission requirements.

  8. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for United States Coast Guard Headquarters

    SciTech Connect (OSTI)

    Schey, Stephen; Francfort, Jim

    2015-05-01

    Federal agencies are mandated to purchase alternative fuel vehicles, increase consumption of alternative fuels, and reduce petroleum consumption. Available plug-in electric vehicles (PEVs) provide an attractive option in the selection of alternative fuel vehicles. PEVs, which consist of both battery electric vehicles (BEVs) and plug-in hybrid electric vehicles (PHEVs), have significant advantages over internal combustion engine (ICE) vehicles in terms of energy efficiency, reduced petroleum consumption, and reduced production of greenhouse gas (GHG) emissions, and they provide performance benefits with quieter, smoother operation. This study intended to evaluate the extent to which the United States Coast Guard Headquarters (USCG HQ) could convert part or all of their fleet of vehicles from petroleum-fueled vehicles to PEVs.

  9. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study: Final Report

    SciTech Connect (OSTI)

    Schey, Stephen; Francfort, Jim

    2015-06-01

    Collect and evaluate data on federal fleet operations as part of the Advanced Vehicle Testing Activity’s Federal Fleet Vehicle Data Logging and Characterization Study. The Advanced Vehicle Testing Activity study seeks to collect and evaluate data to validate the utilization of advanced plug-in electric vehicle (PEV) transportation. This report summarizes the fleets studied to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of PEVs into the agencies’ fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (collectively referred to as PEVs) can fulfill the mission requirements.

  10. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for NASA White Sands Test Facility

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort

    2014-10-01

    This report focuses on the NASA White Sands Test Facility (WSTF) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of plug-in electric vehicles (PEVs) into the agencies’ fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle (BEV) or plug-in hybrid electric vehicle (PHEV) (collectively plug-in electric vehicles, or PEVs) can fulfill the mission requirements.

  11. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for NASA Stennis Space Center

    SciTech Connect (OSTI)

    Schey, Stephen; Francfort, Jim

    2015-05-01

    Federal agencies are mandated to purchase alternative fuel vehicles, increase consumption of alternative fuels, and reduce petroleum consumption. Available plug-in electric vehicles (PEVs) provide an attractive option in the selection of alternative fuel vehicles. PEVs, which consist of both battery electric vehicles (BEVs) and plug-in hybrid electric vehicles (PHEVs), have significant advantages over internal combustion engine (ICE) vehicles in terms of energy efficiency, reduced petroleum consumption, and reduced production of greenhouse gas (GHG) emissions, and they provide performance benefits with quieter, smoother operation. This study intended to evaluate the extent to which NASA Stennis Space Center (Stennis) could convert part or all of their fleet of vehicles from petroleum-fueled vehicles to PEVs.

  12. Vehicle Technologies Office- AVTA: All Electric USPS Long Life Vehicle Conversions

    Broader source: Energy.gov [DOE]

    The following set of reports (part of the medium and heavy-duty truck data) describes performance data collected from all-electric conversions of U.S. Postal Service (USPS) Long-Life Vehicles. This research was conducted by Idaho National Laboratory, which has several additional reports available.

  13. AVTA: Testing Results on the USPS Long-life Vehicle Conversions to All-Electric

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing conversions to all-electric vehicles of the U.S. Postal Service's standard Long-Life Vehicle used for postal deliveries. The conversions were done by different companies and can be compared to understand the benefits of various electric drive and battery technologies. This research was conducted by Idaho National Laboratory.

  14. AVTA: 2010 Honda Civic HEV with Experimental Ultra Lead Acid Battery Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2010 Civic hybrid electric vehicle with an advanced experimental ultra-lead acid battery, an experimental vehicle not for sale. The baseline performance testing provides a point of comparison for the other test results. Taken together, these reports give an overall view of how this vehicle functions under extensive testing. This research was conducted by Idaho National Laboratory.

  15. AVTA: GE Energy WattStation AC Level 2 Charging System Testing Results |

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

    Department of Energy PDF icon EV America Test Specifications PDF icon ETA-TP001 Implementation of SAE Standard J1263, February 1996 - Road Load Measurement and Dynamometer Simulation Using Coastdown Techniques PDF icon ETA-TP002 Implementation of SAE Standard J1666, May 1993 - Electric Vehicle Acceleration, Gradeability, and Deceleration Test Procedure PDF icon ETA-HP003 Implementation of SAE J1634, May 1993 - Hybrid Electric Vehicle Energy Consumption and Range Test Procedure PDF icon

  16. AVTA: Siemens-VersiCharge AC Level 2 Charging System Testing Results |

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

    Department of Energy Siemens-VersiCharge Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory. PDF icon Siemens-VersiCharge AC Level 2 - November

  17. AVTA: Siemens-VersiCharge AC Level 2 Charging System Testing...

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

    Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  18. AVTA: ChargePoint AC Level 2 Charging System Testing Results...

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

    Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  19. AVTA: GE Energy WattStation AC Level 2 Charging System Testing...

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

    Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  20. AVTA Voltec AC Level 1 and Level 2 Charging Systems Testing Results...

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

    Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  1. AVTA: 2010 Honda CR-Z Hybrid Downloadable Dynamometer Database Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  2. First-principles prediction of disordering tendencies in complex oxides

    SciTech Connect (OSTI)

    Jiang, Chao; Stanek, Christopher R; Sickafus, Kurt E; Uberuaga, Blas P

    2008-01-01

    The disordering tendencies of a series of zirconate (A{sub 2}Zr{sub 2}O{sub 7}) , hafnate (A{sub 2}Hf{sub 2}O{sub 7}), titanate (A{sub 2}Ti{sub 2}O{sub 7}), and stannate (A{sub 2} Sn{sub 2}O{sub 7}) pyrochlores are predicted in this study using first-principles total energy calculations. To model the disordered (A{sub 1/2}B{sub 1/2})(O{sub 7/8}/V{sub 1/8}){sub 2} fluorite structure, we have developed an 88-atom two-sublattice special quasirandom structure (SQS) that closely reproduces the most important near-neighbor intra-sublattice and inter-sublattice pair correlation functions of the random alloy. From the calculated disordering energies, the order-disorder transition temperatures of those pyrochlores are further predicted and our results agree well with the existing experimental phase diagrams. It is clearly demonstrated that both size and electronic effects play an important role in determining the disordering tendencies of pyrochlore compounds.

  3. First principles molecular dynamics without self-consistent field optimization

    SciTech Connect (OSTI)

    Souvatzis, Petros; Niklasson, Anders M. N.

    2014-01-28

    We present a first principles molecular dynamics approach that is based on time-reversible extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] in the limit of vanishing self-consistent field optimization. The optimization-free dynamics keeps the computational cost to a minimum and typically provides molecular trajectories that closely follow the exact Born-Oppenheimer potential energy surface. Only one single diagonalization and Hamiltonian (or Fockian) construction are required in each integration time step. The proposed dynamics is derived for a general free-energy potential surface valid at finite electronic temperatures within hybrid density functional theory. Even in the event of irregular functional behavior that may cause a dynamical instability, the optimization-free limit represents a natural starting guess for force calculations that may require a more elaborate iterative electronic ground state optimization. Our optimization-free dynamics thus represents a flexible theoretical framework for a broad and general class of ab initio molecular dynamics simulations.

  4. Distributed resonance self-shielding using the equivalence principle

    SciTech Connect (OSTI)

    Altiparmakov, D.

    2012-07-01

    This paper presents an extension of the equivalence principle to allow distributed resonance self-shielding in a multi-region fuel configuration. Rational expansion of fuel-to-fuel collision probability is applied in order to establish equivalence between the actual fuel configuration and a homogeneous mixture of hydrogen and resonant absorber, which is a commonly used model to calculate library tables of resonance integrals. The main steps in derivation are given along with the basic physics assumptions on which the presented approach relies. The method has been implemented in the lattice code WIMS-AECL and routinely used for calculation of CANDU-type reactor lattices. Its capabilities are illustrated by comparison of WIMS-AECL and MCNP results of {sup 238}U resonance capture in a CANDU lattice cell. In order to determine optimal rational expansion of fuel-to-fuel collision probability, the calculations were carried out by varying the number of rational terms from 1 to 6. The results show that 4 terms are sufficient. The further increase of the number of terms affects the computing time, while the impact on accuracy is negligible. To illustrate the convergence of the results, the fuel subdivision is gradually refined varying the number of fuel pin subdivisions from 1 to 32 equal-area annuli. The results show very good agreement with the reference MCNP calculation. (authors)

  5. Lighting fundamentals handbook: Lighting fundamentals and principles for utility personnel

    SciTech Connect (OSTI)

    Eley, C.; Tolen, T. Associates, San Francisco, CA ); Benya, J.R. )

    1992-12-01

    Lighting accounts for approximately 30% of overall electricity use and demand in commercial buildings. This handbook for utility personnel provides a source of basic information on lighting principles, lighting equipment, and other considerations related to lighting design. The handbook is divided into three parts. Part One, Physics of Light, has chapters on light, vision, optics, and photometry. Part Two, Lighting Equipment and Technology, focuses on lamps, luminaires, and lighting controls. Part Three, Lighting Design Decisions, deals with the manner in which lighting design decisions are made and reviews relevant methods and issues. These include the quantity and quality of light needed for visual tasks, calculation methods for verifying that lighting needs are satisfied, lighting economics and methods for evaluating investments in efficient lighting systems, and miscellaneous design issues including energy codes, power quality, photobiology, and disposal of lighting equipment. The handbook contains a discussion of the role of the utility in promoting the use of energy-efficient lighting. The handbook also includes a lighting glossary and a list of references for additional information. This convenient and comprehensive handbook is designed to enable utility lighting personnel to assist their customers in developing high-quality, energy-efficient lighting systems. The handbook is not intended to be an up-to-date reference on lighting products and equipment.

  6. The principle of phase stability and the accelerator program at Berkeley, 1945--1954

    SciTech Connect (OSTI)

    Lofgren, E.J.

    1994-07-01

    The discovery of the Principle of Phase Stability by Vladimir Veksler and Edwin McMillian and the end of the war released a surge of accelerator activity at the Lawrence Berkeley Laboratory (then The University of California Radiation Laboratory). Six accelerators incorporating the Principle of Phase Stability were built in the period 1945--1954.

  7. First-principles study on the effect of alloying elements on the elastic deformation response in β-titanium alloys

    SciTech Connect (OSTI)

    Gouda, Mohammed K. Gepreel, Mohamed A. H.; Nakamura, Koichi

    2015-06-07

    Theoretical deformation response of hypothetical β-titanium alloys was investigated using first-principles calculation technique under periodic boundary conditions. Simulation was carried out on hypothetical 54-atom supercell of Ti–X (X = Cr, Mn, Fe, Zr, Nb, Mo, Al, and Sn) binary alloys. The results showed that the strength of Ti increases by alloying, except for Cr. The most effective alloying elements are Nb, Zr, and Mo in the current simulation. The mechanism of bond breaking was revealed by studying the local structure around the alloying element atom with respect to volume change. Moreover, the effect of alloying elements on bulk modulus and admissible strain was investigated. It was found that Zr, Nb, and Mo have a significant effect to enhance the admissible strain of Ti without change in bulk modulus.

  8. Water confined in nanotubes and between graphene sheets: A first principle study

    SciTech Connect (OSTI)

    Cicero, G; Grossman, J C; Schwegler, E; Gygi, F; Galli, G

    2008-10-17

    Water confined at the nanoscale has been the focus of numerous experimental and theoretical investigations in recent years, y yet there is no consensus on such basic properties et as diffusion and the nature of hydrogen bonding (HB) under confinement. Unraveling these properties is important to understand fluid flow and transport at the nanoscale, and to shed light on the solvation of biomolecules. Here we report on a first principle, computational study focusing on water confined between prototypical non polar substrate, i.e. , single wall carbon nanotubes and graphene sheets, 1 to 2.5 nm apart. The results of our molecular dynamics simulations show the presence of a thin, interfacial liquid layer ({approx} 5 Angstroms) whose microscopic structure and thickness are independent of the distance between confining layers. The prop properties of the hydrogen bonded network are very similar to those of the bulk outside the interfacial region, even in the case of strong confinement , confinement. Our findings indicate that the perturbation induced by the presence of confining media is extremely local in liquid water, and we propose that many of the effects attributed to novel phases under confinement are determined by subtle electronic structure rearrangements occurring at the interface with the confining medium.

  9. First principles study of substituents in KTaO{sub 3}

    SciTech Connect (OSTI)

    LEUNG,KEVIN

    2000-05-17

    The structural properties, energetics, and dynamics of Ca{sup 2+} and Mn{sup 2+} substituents in KTaO{sub 3} are investigated from first principles. It is found that Ca substitutes for both K and Ta ions. Oxygen vacancies bind to isolated Ca ions residing at Ta-sites, causing off-center Ca displacement and forming large dipoles. There is also evidence that oppositely charged defects may cluster together. The calculations predict that the activation energy for dipole reorientation via oxygen vacancy hopping within the first neighbor shell of Ta-substituting Ca or Mn exceeds 2 eV. On the other hand, Mn{sup 2+} substituting at the K-site displaces off center along the (100) direction, also forming a dipole. This dipole can reorient via Mn hopping motion with an activation energy of {approximately} 0.18 eV, in reasonable agreement with experiments. The authors argue that, in general, metal ion hopping at the A-site, not oxygen vacancy hopping, is responsible for the small activation energies found in experiments.

  10. Magnetic properties of transition metal doped AlN nanosheet: First-principle studies

    SciTech Connect (OSTI)

    Shi, Changmin; Qin, Hongwei Zhang, Yongjia; Hu, Jifan; Ju, Lin

    2014-02-07

    We carry out our first-principles calculations within density functional theory to study the 3d transition metal (TM) doped AlN nanosheets. The calculated results indicate that a stoichiometric AlN nanosheet is graphene-like structure and nonmagnetic. The TM impurities can induce magnetic moments, localized mainly on the 3d TM atoms and neighboring N atoms. Our calculated results of TM-doped nanosheet systems indicate a strong interaction between 3d orbit of TM atom and the 2p orbit of N atoms. In addition, the Mn- and Ni-doped AlN nanosheet with half-metal characters seems to be good candidates for spintronic applications. When substituting two Al atoms, the relative energies of the states between ferromagnetic and antiferromagnetic coupling are investigated sufficiently. The exchange coupling of Co- and Ni-doped AlN nanosheets exhibits a transformation with different distances of two TM atoms and that of Cr-, Mn-, and Fe-doped AlN nanosheets is not changed.

  11. Best Practice -- Subsurface Investigations

    SciTech Connect (OSTI)

    Clark Scott

    2010-03-01

    These best practices for Subsurface Survey processes were developed at the Idaho National Laboratory (INL) and later shared and formalized by a sub-committee, under the Electrical Safety Committee of EFCOG. The developed best practice is best characterized as a Tier II (enhanced) survey process for subsurface investigations. A result of this process has been an increase in the safety and lowering of overall cost, when utility hits and their related costs are factored in. The process involves improving the methodology and thoroughness of the survey and reporting processes; or improvement in tool use rather than in the tools themselves. It is hoped that the process described here can be implemented at other sites seeking to improve their Subsurface Investigation results with little upheaval to their existing system.

  12. Manus Water Isotope Investigation

    Office of Scientific and Technical Information (OSTI)

    ENERGY Office of Science DOE/SC-ARM-15-079 Manus Water Isotope Investigation Field Campaign Report JL Conroy D Noone KM Cobb March 2016 CLIMATE RESEARCH FACILITY DISCLAIMER This report was prepared as an account of work sponsored by the U.S. Government. Neither the United States nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus,

  13. Manus Water Isotope Investigation

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

    9 Manus Water Isotope Investigation Field Campaign Report JL Conroy D Noone KM Cobb March 2016 DISCLAIMER This report was prepared as an account of work sponsored by the U.S. Government. Neither the United States nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not

  14. Appendix HYDRO: Hydrological Investigations

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

    HYDRO-2014 Hydrological Investigations United States Department of Energy Waste Isolation Pilot Plant Carlsbad Field Office Carlsbad, New Mexico Compliance Recertification Application 2014 Appendix HYDRO-2014 Table of Contents HYDRO-1.0 Hydrological Studies HYDRO-2.0 Optimization of Culebra Monitoring Well Network HYDRO-3.0 Geochemical Analyses HYDRO-4.0 Steel-Cased Well Reconfiguration and Replacement HYDRO-5.0 Geological Information HYDRO-6.0 Hydraulic Test Interpretation HYDRO-7.0 Monitoring

  15. Federal High Performance and Sustainable Buildings: Guiding Principles for the Laboratory Support Building (LSB)

    SciTech Connect (OSTI)

    Pope, Jason E.

    2014-09-01

    This report documents the federal Guiding Principles conformance effort for LSB at PNNL. The effort is part of continued progress toward a campus building inventory that is 100% compliant with the Guiding Principles. The report documentation provides a narrative of how the LSB complies with each of the Guiding Principles requirements. These narratives draw from the many sources that are explained in the text and rely on extensive data collection. The descriptions point to each of these sources, providing the reader with specific policies, procedures, and data points.

  16. Large-Scale First-Principles Molecular Dynamics Simulations on the

    Office of Scientific and Technical Information (OSTI)

    BlueGene/L Platform using the Qbox Code (Conference) | SciTech Connect Conference: Large-Scale First-Principles Molecular Dynamics Simulations on the BlueGene/L Platform using the Qbox Code Citation Details In-Document Search Title: Large-Scale First-Principles Molecular Dynamics Simulations on the BlueGene/L Platform using the Qbox Code We demonstrate that the Qbox code supports unprecedented large-scale First-Principles Molecular Dynamics (FPMD) applications on the BlueGene/L

  17. Department of Energy reaches an agreement in principle on the cleanup of

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

    the Santa Susana Field Lab site in Simi Valley | Department of Energy reaches an agreement in principle on the cleanup of the Santa Susana Field Lab site in Simi Valley Department of Energy reaches an agreement in principle on the cleanup of the Santa Susana Field Lab site in Simi Valley September 3, 2010 - 12:00am Addthis WASHINGTON, D.C. - The Department of Energy announced today that it has reached an agreement in principle with California's Department of Toxic Substances Control (DTSC)

  18. Jeung Gon Kim > Principle Research Engineer - Samsung Cheil Industries >

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

    Center Alumni > The Energy Materials Center at Cornell Jeung Gon Kim Principle Research Engineer - Samsung Cheil Industries Former Postdoc with the Coates Group, Jeung Gon returned to Korea to work with Samsung

  19. First-principles molecular dynamics simulations of condensed phase V-type

    Office of Scientific and Technical Information (OSTI)

    nerve agent reaction pathways and energy barriers (Journal Article) | SciTech Connect First-principles molecular dynamics simulations of condensed phase V-type nerve agent reaction pathways and energy barriers Citation Details In-Document Search Title: First-principles molecular dynamics simulations of condensed phase V-type nerve agent reaction pathways and energy barriers Authors: Gee, R H ; Kuo, I W ; Chinn, S C ; Raber, E Publication Date: 2011-07-11 OSTI Identifier: 1184114 Report

  20. A Principled Approach to HPC Event Monitoring. (Conference) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect A Principled Approach to HPC Event Monitoring. Citation Details In-Document Search Title: A Principled Approach to HPC Event Monitoring. Abstract not provided. Authors: Ferreira, Kurt Brian ; Goudarzi, Alireza [1] ; Arnold, Dorian [1] ; Feldman, Guy [2] + Show Author Affiliations (UNM) (Perdue) Publication Date: 2015-02-01 OSTI Identifier: 1239260 Report Number(s): SAND2015-1074C 567013 DOE Contract Number: AC04-94AL85000 Resource Type: Conference Resource Relation: Conference:

  1. Proof-of-principle of high-fidelity coupled CRUD deposition and cycle

    Office of Scientific and Technical Information (OSTI)

    depletion simulation (Journal Article) | SciTech Connect Proof-of-principle of high-fidelity coupled CRUD deposition and cycle depletion simulation Citation Details In-Document Search This content will become publicly available on August 30, 2017 Title: Proof-of-principle of high-fidelity coupled CRUD deposition and cycle depletion simulation Authors: Walter, Daniel J. ; Kendrick, Brian K. ; Petrov, Victor ; Manera, Annalisa ; Collins, Benjamin ; Downar, Thomas Publication Date: 2015-11-01

  2. First-principles study of quantum confinement and surface effects on the electronic properties of InAs nanowires

    SciTech Connect (OSTI)

    Ning, Feng; Tang, Li-Ming Zhang, Yong; Chen, Ke-Qiu

    2013-12-14

    We have used first principles methods to systematically investigate the quantum confinement effect on the electronic properties of zinc-blende (ZB) and wurtzite (WZ) InAs nanowires (NWs) with different orientations and diameters, and compared their electronic properties before and after pseudo-hydrogen passivation. The results show that the calculated carrier effective masses are dependent on the NW diameter, except for [110] ZB NWs, and the hole effective masses of [111] ZB NWs are larger than the electron effective masses when the NW diameter is ?26?. The band alignments of [111] ZB and [0001] WZ NWs reveal that the effect of quantum confinement on the conduction bands is greater than on the valence bands, and the position of the valence band maximum level changes little with increasing NW diameter. The pseudo-hydrogen passivated NWs have larger band gaps than the corresponding unpassivated NWs. The carrier effective masses and mobilities can be adjusted by passivating the surface dangling bonds.

  3. First-principles study of direct and narrow band gap semiconducting β -CuGaO2

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

    Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang; Ho, Kai-Ming

    2015-04-16

    Semiconducting oxides have attracted much attention due to their great stability in air or water and the abundance of oxygen. Recent success in synthesizing a metastable phase of CuGaO2 with direct narrow band gap opens up new applications of semiconducting oxides as absorber layer for photovoltaics. Using first-principles density functional theory calculations, we investigate the thermodynamic and mechanical stabilities as well as the structural and electronic properties of the β-CuGaO2 phase. Our calculations show that the β-CuGaO2 structure is dynamically and mechanically stable. The energy band gap is confirmed to be direct at the Γ point of Brillouin zone. Inmore » conclusion, the optical absorption occurs right at the band gap edge and the density of states near the valance band maximum is large, inducing an intense absorption of light as observed in experiment.« less

  4. First principles study of metal contacts to monolayer black phosphorous

    SciTech Connect (OSTI)

    Chanana, Anuja; Mahapatra, Santanu

    2014-11-28

    Atomically thin layered black phosphorous (BP) has recently appeared as an alternative to the transitional metal dichalcogenides for future channel material in a metal-oxide-semiconductor transistor due to its lower carrier effective mass. Investigation of the electronic property of source/drain contact involving metal and two-dimensional material is essential as it impacts the transistor performance. In this paper, we perform a systematic and rigorous study to evaluate the Ohmic nature of the side-contact formed by the monolayer BP (mBP) and metals (gold, titanium, and palladium), which are commonly used in experiments. Employing the Density Functional Theory, we analyse the potential barrier, charge transfer and atomic orbital overlap at the metal-mBP interface in an optimized structure to understand how efficiently carriers could be injected from metal contact to the mBP channel. Our analysis shows that gold forms a Schottky contact with a higher tunnel barrier at the interface in comparison to the titanium and palladium. mBP contact with palladium is found to be purely Ohmic, where as titanium contact demonstrates an intermediate behaviour.

  5. Criminal Investigator | Department of Energy

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

    Criminal Investigator Criminal Investigator Special Agent Responsibilities The Office of Investigations conducts investigations of DOE personnel, contractors, and others receiving DOE funds concerning alleged violations of law that impact DOE programs, operations, facilities, and personnel. Examples of issues investigated by the OIG include soliciting and/or accepting a bribe, overcharging the Government on contracts and grants, providing false data and information, supplying defective or

  6. Environmental cost principle: Gone but not forgotten. Master`s thesis

    SciTech Connect (OSTI)

    Robb, J.L.

    1995-09-30

    This thesis has not focused on the myriad of environmental laws generating costs for government contractors. Compliance with such laws is not beyond the experience of government cost-reimbursement contracting. This thesis has not detailed the alternative to cost reimbursement; i.e., a contribution action against the United States for cleanup costs. Potential contribution action remains an issue when the contamination is related to the performance of a government contract. At the center of this analysis is the efficacy of the draft environmental cost principle. The draft cost principle forced the consideration of the many prickly issues that must someday be resolved. The draft cost principle is unlikely to return in present form. It may be gone, but it should not be forgotten. The environmental cost issues will resurface. Future attempts to address these issues will benefit from the careful consideration of the latest draft environmental cost principle. The core questions to be answered are what would be the impact of the cost principle on the treatment of various environmental costs, and whether such impact is for the good.

  7. Variational principle for linear stability of flowing plasmas in Hall magnetohydrodynamics

    SciTech Connect (OSTI)

    Hirota, M.; Yoshida, Z.; Hameiri, E.

    2006-02-15

    Linear stability of equilibrium states with flow is studied by means of the variational principle in Hall magnetohydrodynamics (MHD). The Lagrangian representation of the linearized Hall MHD equation is performed by considering special perturbations that preserves some constants of motion (the Casimir invariants). The resultant equation has a Hamiltonian structure which enables the variational principle. There is however some difficulties in showing the positive definiteness of the quadratic form in the presence of flow. The dynamically accessible variation is a more restricted class of perturbations which, by definition, preserves all the Casimir invariants. For such variations, the quadratic form (the second variation of Hamiltonian) can be positive definite. Some conditions for stability are derived by applying this variational principle to the double Beltrami equilibrium.

  8. Room-temperature ferromagnetism in Cr-doped Si achieved by controlling atomic structure, Cr concentration, and carrier densities: A first-principles study

    SciTech Connect (OSTI)

    Wei, Xin-Yuan; Yang, Zhong-Qin; Zhu, Yan; Li, Yun

    2015-04-28

    By using first-principles calculations, we investigated how to achieve a strong ferromagnetism in Cr-doped Si by controlling the atomic structure and Cr concentration as well as carrier densities. We found that the configuration in which the Cr atom occupies the tetrahedral interstitial site can exist stably and the Cr atom has a large magnetic moment. Using this doping configuration, room-temperature ferromagnetism can be achieved in both n-type and p-type Si by tuning Cr concentration and carrier densities. The results indicate that the carrier density plays a crucial role in realizing strong ferromagnetism in diluted magnetic semiconductors.

  9. First-principles calculations of phonons and Raman spectra in monoclinic

    Office of Scientific and Technical Information (OSTI)

    CsSnCl 3 (Journal Article) | SciTech Connect First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Citation Details In-Document Search Title: First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Authors: Huang, Ling-yi ; Lambrecht, Walter R. L. Publication Date: 2015-02-20 OSTI Identifier: 1179977 Grant/Contract Number: ER-46874-SC0008933 Type: Publisher's Accepted Manuscript Journal Name: Physical Review B Additional Journal

  10. FIRST-PRINCIPLES PHASE STABILITY IN THE TI-V ALLOY SYSTEM (Journal Article)

    Office of Scientific and Technical Information (OSTI)

    | SciTech Connect FIRST-PRINCIPLES PHASE STABILITY IN THE TI-V ALLOY SYSTEM Citation Details In-Document Search Title: FIRST-PRINCIPLES PHASE STABILITY IN THE TI-V ALLOY SYSTEM Authors: Soderlind, P ; Landa, A ; Yang, L H ; Teweldebrhan, A Publication Date: 2013-04-11 OSTI Identifier: 1108866 Report Number(s): LLNL-JRNL-635374 DOE Contract Number: W-7405-ENG-48 Resource Type: Journal Article Resource Relation: Journal Name: Journal of Alloys and Compounds, vol. 581, na, December 25, 2013,

  11. First-principles high-pressure unreacted equation of state and heat of

    Office of Scientific and Technical Information (OSTI)

    formation of crystal 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105) (Journal Article) | SciTech Connect Journal Article: First-principles high-pressure unreacted equation of state and heat of formation of crystal 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105) Citation Details In-Document Search Title: First-principles high-pressure unreacted equation of state and heat of formation of crystal 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105) Authors: Manaa, M R ; Kuo, I W ; Fried, L

  12. First-principles calculations of phonons and Raman spectra in monoclinic

    Office of Scientific and Technical Information (OSTI)

    CsSnCl 3 (Journal Article) | SciTech Connect First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Citation Details In-Document Search Title: First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Authors: Huang, Ling-yi ; Lambrecht, Walter R. L. Publication Date: 2015-02-20 OSTI Identifier: 1179977 Grant/Contract Number: ER-46874-SC0008933 Type: Publisher's Accepted Manuscript Journal Name: Physical Review B Additional Journal

  13. Developing an Approach for First-principles Catalyst Design: Application to

    Office of Scientific and Technical Information (OSTI)

    Carbon Capture Catalysis (Journal Article) | SciTech Connect Developing an Approach for First-principles Catalyst Design: Application to Carbon Capture Catalysis Citation Details In-Document Search Title: Developing an Approach for First-principles Catalyst Design: Application to Carbon Capture Catalysis Authors: Kulik, H J ; Wong, S E ; Baker, S E ; Valdez, C A ; Satcher, J H ; Aines, R D ; Lightstone, F C ; Satcher, J H ; Aines, R D ; Lightstone, F C Publication Date: 2012-09-05 OSTI

  14. First Principles Calculations for X-ray Resonant Spectra and Elastic Properties

    SciTech Connect (OSTI)

    Yongbin Lee

    2006-05-01

    In this thesis, we discuss applications of first principles methods to x-ray resonant spectra and elastic properties calculation. We start with brief reviews about theoretical background of first principles methods, such as density functional theory, local density approximation (LDA), LDA+U, and the linear augmented plane wave (LAPW) method to solve Kohn-Sham equations. After that we discuss x-ray resonant scattering (XRMS), x-ray magnetic circular dichroism (XMCD) and the branching problem in the heavy rare earths Ledges. In the last chapter we discuss the elastic properties of the second hardest material AlMgB{sub 14}.

  15. First-principles calculations of phonons and Raman spectra in monoclinic

    Office of Scientific and Technical Information (OSTI)

    CsSnCl 3 (Journal Article) | DOE PAGES First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Title: First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Authors: Huang, Ling-yi ; Lambrecht, Walter R. L. Publication Date: 2015-02-20 OSTI Identifier: 1179977 Grant/Contract Number: ER-46874-SC0008933 Type: Publisher's Accepted Manuscript Journal Name: Physical Review B Additional Journal Information: Journal Volume: 91; Journal Issue: 7;

  16. Will smart meters ripen or rot? Five first principles for embracing customers as co-creators of value

    SciTech Connect (OSTI)

    Honebein, Peter C.; Cammarano, Roy F.; Donnelly, Kat A.

    2009-06-15

    In managing the migration of electricity users to the demand response world, five first principles can help with that tricky human element. (author)

  17. Principles of ground relaying for high voltage and extra high voltage transmission lines

    SciTech Connect (OSTI)

    Griffin, C.H.

    1983-02-01

    This paper is a tutorial discussion of the basic principles of ground relaying for high voltage and extra high voltage transmission lines. Three different HV configurations are considered: Long lines, lines with a weak mid-point station, and mutually-coupled lines. Application criteria for EHV circuits are also discussed, and specific setting calculations are included where appropriate.

  18. On the Stochastic Maximum Principle in Optimal Control of Degenerate Diffusions with Lipschitz Coefficients

    SciTech Connect (OSTI)

    Bahlali, Khaled Djehiche, Boualem Mezerdi, Brahim

    2007-12-15

    We establish a stochastic maximum principle in optimal control of a general class of degenerate diffusion processes with global Lipschitz coefficients, generalizing the existing results on stochastic control of diffusion processes. We use distributional derivatives of the coefficients and the Bouleau Hirsh flow property, in order to define the adjoint process on an extension of the initial probability space.

  19. Lesson Plan: Home Energy Investigation

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

    Energy Investigation Author: Alexis Durow Grade LevelSubject 9 th 10 th Grade Environmental Science Relevant curriculum standards: CONTENT STANDARD D: As a result of their...

  20. Investigating and Using Biomass Gases

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

    Investigating and Using Biomass Gases Grades: 9-12 Topic: Biomass Authors: Eric Benson and Melissa Highfill Owner: National Renewable Energy Laboratory This educational material is...

  1. Investigations Memorandum | Department of Energy

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

    2006 Investigation of Allegations Involving False Statements and False Claims at the Yucca Mountain Project In March 2005, senior Department o Energy officials were alerted to...

  2. FY2009 Annual Progress Report for Advanced Vehicle Technology Analysis and Evaluation Activities and Heavy Vehicle Systems Optimization Program

    SciTech Connect (OSTI)

    none,

    2010-02-19

    Annual Progress Report for fiscal year 2009 for the Advanced Vehicle Technology Analysis and Evaluation (AVTAE) team activities

  3. 2008 Annual Progress Report - Advanced Vehicle Technology Analysis and Evaluation Activities and Heavy Vehicle Systems Optimization Program

    SciTech Connect (OSTI)

    none,

    2009-02-24

    Annual Progress Report for fiscal year 2008 for the Advanced Vehicle Technology Analysis and Evaluation (AVTAE) team activities

  4. Electronic and magnetic properties of double perovskite Dy{sub 2}MnCoO{sub 6} by first-principles calculation

    SciTech Connect (OSTI)

    Ganeshraj, C.; Santhosh, P. N.

    2014-05-07

    Using first-principles calculation, we investigate electronic and magnetic properties of Dy{sub 2}MnCoO{sub 6}. A detailed structural optimization has been done and found that the orthorhombic structure with Mn (Co) ions aligning along the longest axis type is the most stable structure. Within the generalized gradient approximation, the spin polarized calculations predict Dy{sub 2}MnCoO{sub 6} to be a half-metallic with ferromagnetic interaction between Mn and Co ions and antiferromagnetic interaction between Dy and Mn/Co ions. We also investigate the effect of Hubbard parameter (U) on the ground state magnetic structure. For all values of Hubbard U parameter the Co ions have nonzero magnetic moment; they do not lie in low-spin state, as in DyCoO{sub 3}.

  5. Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations

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

    Zhou, Fei; Nielson, Weston; Xia, Yi; Ozoliņš, Vidvuds

    2014-10-27

    First-principles prediction of lattice thermal conductivity KL of strongly anharmonic crystals is a long-standing challenge in solid state physics. Using recent advances in information science, we propose a systematic and rigorous approach to this problem, compressive sensing lattice dynamics (CSLD). Compressive sensing is used to select the physically important terms in the lattice dynamics model and determine their values in one shot. Non-intuitively, high accuracy is achieved when the model is trained on first-principles forces in quasi-random atomic configurations. The method is demonstrated for Si, NaCl, and Cu12Sb4S13, an earth-abundant thermoelectric with strong phononphonon interactions that limit the room-temperature KLmore » to values near the amorphous limit.« less

  6. Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

    SciTech Connect (OSTI)

    Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; Weber, William J.

    2015-03-01

    We study the chemical expansion for neutral and charged oxygen vacancies in fluorite, rocksalt, perovskite and pyrochlores materials using first principles calculations. We show that the neutral oxygen vacancy leads to lattice expansion whereas the charged vacancy leads to lattice contraction. In addition, we show that there is a window of strain within which an oxygen vacancy is stable; beyond that range, the vacancy can become unstable. Using CeO2|ZrO2 interface structure as an example, we show that the concentration of oxygen vacancies can be manipulated via strain, and the vacancies can be preferentially stabilized. These results could serve as guiding principles in predicting oxygen vacancy stability in strained systems and in the design of vacancy stabilized materials.

  7. Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations

    SciTech Connect (OSTI)

    Zhou, Fei; Nielson, Weston; Xia, Yi; Ozoliņš, Vidvuds

    2014-10-01

    First-principles prediction of lattice thermal conductivity κL of strongly anharmonic crystals is a long-standing challenge in solid-state physics. Making use of recent advances in information science, we propose a systematic and rigorous approach to this problem, compressive sensing lattice dynamics. Compressive sensing is used to select the physically important terms in the lattice dynamics model and determine their values in one shot. Nonintuitively, high accuracy is achieved when the model is trained on first-principles forces in quasirandom atomic configurations. The method is demonstrated for Si, NaCl, and Cu12Sb4S13, an earth-abundant thermoelectric with strong phonon-phonon interactions that limit the room-temperature κL to values near the amorphous limit.

  8. New Optical Evaluation Approach for Parabolic Trough Collectors: First-Principle OPTical Intercept Calculation

    SciTech Connect (OSTI)

    Zhu, G.; Lewandowski, A.

    2012-11-01

    A new analytical method -- First-principle OPTical Intercept Calculation (FirstOPTIC) -- is presented here for optical evaluation of trough collectors. It employs first-principle optical treatment of collector optical error sources and derives analytical mathematical formulae to calculate the intercept factor of a trough collector. A suite of MATLAB code is developed for FirstOPTIC and validated against theoretical/numerical solutions and ray-tracing results. It is shown that FirstOPTIC can provide fast and accurate calculation of intercept factors of trough collectors. The method makes it possible to carry out fast evaluation of trough collectors for design purposes. The FirstOPTIC techniques and analysis may be naturally extended to other types of CSP technologies such as linear-Fresnel collectors and central-receiver towers.

  9. Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis

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

    Fattebert, Jean-Luc; Lau, Edmond Y.; Bennion, Brian J.; Huang, Patrick; Lightstone, Felice C.

    2015-10-22

    Enzymes are complicated solvated systems that typically require many atoms to simulate their function with any degree of accuracy. We have recently developed numerical techniques for large scale First-Principles molecular dynamics simulations and applied them to study the enzymatic reaction catalyzed by acetylcholinesterase. We carried out Density functional theory calculations for a quantum mechanical (QM) sub- system consisting of 612 atoms with an O(N) complexity finite-difference approach. The QM sub-system is embedded inside an external potential field representing the electrostatic effect due to the environment. We obtained finite temperature sampling by First-Principles molecular dynamics for the acylation reaction of acetylcholinemore » catalyzed by acetylcholinesterase. Our calculations shows two energies barriers along the reaction coordinate for the enzyme catalyzed acylation of acetylcholine. In conclusion, the second barrier (8.5 kcal/mole) is rate-limiting for the acylation reaction and in good agreement with experiment.« less

  10. Best Practices for HPSB Guiding Principles Implementation in Existing DOE Buildings

    SciTech Connect (OSTI)

    Henderson, Jordan W.

    2014-05-06

    The intent of this paper is to document an approach to screening existing buildings at DOE sites for High-Performance and Sustainable Buildings (HPSB) Guiding Principles (GPs) potential, developing policies and programs to address a majority of the HPSB GPs, and how to prioritize buildings with the greatest potential. This paper will also include example strategies for HPSB inventory and projection schedules and best practices on approaching and interpreting select criteria that have been troublesome to sites.

  11. First-Principles Approaches for Intermolecular Interactions: From Gas-Phase

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

    Dimers to Liquid Water and Molecular Crystal Polymorphism | Argonne National Laboratory First-Principles Approaches for Intermolecular Interactions: From Gas-Phase Dimers to Liquid Water and Molecular Crystal Polymorphism May 16, 2016 10:00AM to 11:00AM Presenter Robert A. DiStasio Jr., Cornell University Location Building 240, Room 4301 Type Seminar Series ALCF Seminar Abstract: Long-range van der Waals (vdW) or dispersion interactions are crucial in determining the structure, stability,

  12. Integrating rock mechanics issues with repository design through design process principles and methodology

    SciTech Connect (OSTI)

    Bieniawski, Z.T.

    1996-04-01

    A good designer needs not only knowledge for designing (technical know-how that is used to generate alternative design solutions) but also must have knowledge about designing (appropriate principles and systematic methodology to follow). Concepts such as {open_quotes}design for manufacture{close_quotes} or {open_quotes}concurrent engineering{close_quotes} are widely used in the industry. In the field of rock engineering, only limited attention has been paid to the design process because design of structures in rock masses presents unique challenges to the designers as a result of the uncertainties inherent in characterization of geologic media. However, a stage has now been reached where we are be able to sufficiently characterize rock masses for engineering purposes and identify the rock mechanics issues involved but are still lacking engineering design principles and methodology to maximize our design performance. This paper discusses the principles and methodology of the engineering design process directed to integrating site characterization activities with design, construction and performance of an underground repository. Using the latest information from the Yucca Mountain Project on geology, rock mechanics and starter tunnel design, the current lack of integration is pointed out and it is shown how rock mechanics issues can be effectively interwoven with repository design through a systematic design process methodology leading to improved repository performance. In essence, the design process is seen as the use of design principles within an integrating design methodology, leading to innovative problem solving. In particular, a new concept of {open_quotes}Design for Constructibility and Performance{close_quotes} is introduced. This is discussed with respect to ten rock mechanics issues identified for repository design and performance.

  13. Sustainability principles in strategic environmental assessment: A framework for analysis and examples from Italian urban planning

    SciTech Connect (OSTI)

    Lamorgese, Lydia Geneletti, Davide

    2013-09-15

    This paper presents a framework for analysing the degree of consideration of sustainability principles in Strategic environmental assessment (SEA), and demonstrates its application to a sample of SEA of Italian urban plans. The framework is based on Gibson's (2006) sustainability principles, which are linked to a number of guidance criteria and eventually to review questions, resulting from an extensive literature review. A total of 71 questions are included in the framework, which gives particular emphasis to key concepts, such as intragenerational and intergenerational equity. The framework was applied to review the Environmental Report of the urban plans of 15 major Italian cities. The results of this review show that, even if sustainability is commonly considered as a pivotal concept, there is still work to be done in order to effectively integrate sustainability principles into SEA. In particular, most of the attention is given to mitigation and compensation measures, rather than to actual attempts to propose more sustainable planning decisions in the first place. Concerning the proposed framework of analysis, further research is required to clarify equity concerns and particularly to identify suitable indicators for operationalizing the concepts of intra/inter-generational equity in decision-making. -- Highlights: ► A framework was developed in order to evaluate planning against sustainability criteria. ► The framework was applied to analyse how sustainable principles are addressed in 15 Italian SEA reports. ► Over 85% of the reports addressed, to some extent, at least 40% of the framework questions. ► Criteria explicitly linked to intra and inter-generational equity are rarely addressed.

  14. Notice of Intent to Investigate

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

    and guidance on submitting the requested documents is enclosed. Under the Major Fraud Act (MFA), as amended, 41 U.S.C. 4310, this investigation may be a proceeding...

  15. DFT investigation on the electronic structure of Faujasite

    SciTech Connect (OSTI)

    Popeneciu, Horea; Calborean, Adrian; Tudoran, Cristian; Buimaga-Iarinca, Luiza

    2013-11-13

    We report here first-principle pseudopotential DFT calculations to investigate relevant aspects of the electronic structure of zeolites based FAU. Fundamental molecular issues of the band-gap and electronic population analysis were reviewed under GGA/RPBE level of theory, corroborated with a DZP basis set and Troullier-Martins norm conserving pseudo-potentials. The atom-projected density of states and the analysis of HOMO-LUMO frontier orbitals at Gamma point were performed. Their electronic transfers are discussed through the alignment and relative positions of orbitals in order to determine the way that the molecule interacts with adsorbed molecules and other practical applications. Mulliken population analysis was employed for describing atomic charge distribution in the chosen systems.

  16. Investigating the Effects of Temperature

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

    Investigating the Effects of Temperature on Power Output Objective: Students will use concepts learned in class to explore the many variables that effect the efficiency of solar panels in regards to power output. Materials: * PV Array or Solar Panel * 2 Multimeter * Frozen Ice Packs * Low Power DC Bulb * Halogen Lamp (500 Watts) * 4 or 5 Alligator clip wires * Timer Investigative Question: How does the power output change as the temperature of the PV system changes. Procedure: 1) Attach the

  17. Junior Solar Sprint - Classroom Investigations

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

    30 Revised 8/23/01 Classroom Investigations This document was created by: Andrew Heafitz with the assistance of: Diane Brancazio Kevin Otto Chris Saunders Ginger Sturcken 2 Note to teachers and mentors: This package of investigations is intended to aid the teacher or mentor in exploring the different components for a model solar car with their students. They are designed to give some background on the topic and discuss the different variables that go into each phenomena. The

  18. Concentration and density changes at an electrode surface and the principle of unchanging total concentration

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

    Stephen W. Feldberg; Lewis, Ernie R.

    2016-02-17

    In this study, the principle of unchanging total concentration as described by Oldham and Feldberg [J. Phys. Chem. B, 103, 1699 (1999)] is invoked to analyze systems comprising a redox pair (Xz11 and Xz22) plus one or more non-electroactive species (Xz33,Xz44...Xzjmaxjmax) where Xzjj is the jth species with charge zj and concentration; cj. The principle states that if the diffusion coefficients for all species are identical and mass transport is governed by the Nernst-Planck expression, the total concentration does not change during any electrochemical perturbation, i.e.: Σjmaxj=1[Xzjj]=Σjmaxj=1 cj = SP With this principle we deduce the electrochemically induced difference betweenmore » the surface and bulk concentrations for each species. Those concentration differences are translated into density differences which are a function of the density of the solvent and of the concentration differences, molecular masses and the standard partial molar volumes of all species. Those density differences in turn can induce convection that will ultimately modify the observed current. However, we did not attempt to quantify details of the natural convection and current modification produced by those density differences.« less

  19. Principles on Radiological Characterization of the Unit 1 at Ignalina NPP for Decommissioning Purposes

    SciTech Connect (OSTI)

    Poskas, P.; Zujus, R.; Drumstas, G.; Poskas, R.; Simonis, V.

    2008-07-01

    There is only one nuclear power plant in Lithuania - Ignalina NPP (INPP). The INPP operated two similar units with installed capacity of 1500 MW(each). They were commissioned in 12/1983 and 08/1987, and the original design lifetime was projected out to 2010 and 2015 respectively. But the first Unit of Ignalina NPP was shutdown December 31, 2004, and second Unit will be closed down before 2010 taking into consideration substantial long-term financial assistance from the EU, G7 and other states as well as international institutions. Implementation of dismantling activities requires detailed knowledge of the radiological situation at the Unit 1. General Programme of Radiological Survey for Ignalina NPP Unit 1 based on NUREG-1575 was prepared in 2005- 2006 by Consortium led by Lithuanian Energy Institute and approved by Regulatory Bodies. It includes such main steps as historical site assessment, scoping, characterization, remedial actions/decontamination support surveys and final status surveys. General Programme of Radiological Survey defines content and principles of the surveys, and preliminary survey considerations, including identification of the contaminants, establishment of the free release levels, principles on areas classification depending on contamination potential, identification of the final survey units, criteria for selection survey instrumentation, techniques and methods etc. So, in the paper information on these principles and the content of the different stages in General Programme of Radiological Survey is presented. (authors)

  20. Hurricane Katrina Wind Investigation Report

    SciTech Connect (OSTI)

    Desjarlais, A. O.

    2007-08-15

    This investigation of roof damage caused by Hurricane Katrina is a joint effort of the Roofing Industry Committee on Weather Issues, Inc. (RICOWI) and the Oak Ridge National Laboratory/U.S. Department of Energy (ORNL/DOE). The Wind Investigation Program (WIP) was initiated in 1996. Hurricane damage that met the criteria of a major windstorm event did not materialize until Hurricanes Charley and Ivan occurred in August 2004. Hurricane Katrina presented a third opportunity for a wind damage investigation in August 29, 2005. The major objectives of the WIP are as follows: (1) to investigate the field performance of roofing assemblies after major wind events; (2) to factually describe roofing assembly performance and modes of failure; and (3) to formally report results of the investigations and damage modes for substantial wind speeds The goal of the WIP is to perform unbiased, detailed investigations by credible personnel from the roofing industry, the insurance industry, and academia. Data from these investigations will, it is hoped, lead to overall improvement in roofing products, systems, roofing application, and durability and a reduction in losses, which may lead to lower overall costs to the public. This report documents the results of an extensive and well-planned investigative effort. The following program changes were implemented as a result of the lessons learned during the Hurricane Charley and Ivan investigations: (1) A logistics team was deployed to damage areas immediately following landfall; (2) Aerial surveillance--imperative to target wind damage areas--was conducted; (3) Investigation teams were in place within 8 days; (4) Teams collected more detailed data; and (5) Teams took improved photographs and completed more detailed photo logs. Participating associations reviewed the results and lessons learned from the previous investigations and many have taken the following actions: (1) Moved forward with recommendations for new installation procedures; (2) Updated and improved application guidelines and manuals from associations and manufacturers; (3) Launched certified product installer programs; and (4) Submitted building code changes to improve product installation. Estimated wind speeds at the damage locations came from simulated hurricane models prepared by Applied Research Associates of Raleigh, North Carolina. A dynamic hurricane wind field model was calibrated to actual wind speeds measured at 12 inland and offshore stations. The maximum estimated peak gust wind speeds in Katrina were in the 120-130 mph range. Hurricane Katrina made landfall near Grand Isle, Louisiana, and traveled almost due north across the city of New Orleans. Hurricane winds hammered the coastline from Houma, Louisiana, to Pensacola, Florida. The severe flooding problems in New Orleans made it almost impossible for the investigating teams to function inside the city. Thus the WIP investigations were all conducted in areas east of the city. The six teams covered the coastal areas from Bay Saint Louis, Mississippi, on the west to Pascagoula, Mississippi, on the east. Six teams involving a total of 25 persons documented damage to both low slope and steep slope roofing systems. The teams collected specific information on each building examined, including type of structure (use or occupancy), wall construction, roof type, roof slope, building dimensions, roof deck, insulation, construction, and method of roof attachment. In addition, the teams noted terrain exposure and the estimated wind speeds at the building site from the Katrina wind speed map. With each team member assigned a specific duty, they described the damage in detail and illustrated important features with numerous color photos. Where possible, the points of damage initiation were identified and damage propagation described. Because the wind speeds in Katrina at landfall, where the investigations took place, were less than code-specified design speeds, one would expect roof damage to be minimal. One team speculated that damage to all roofs in the area they examined was les

  1. First-Principles Petascale Simulations for Predicting Deflagration to Detonation Transition in Hydrogen-Oxygen Mixtures

    SciTech Connect (OSTI)

    Khokhlov, Alexei; Austin, Joanna

    2015-03-02

    Hydrogen has emerged as an important fuel across a range of industries as a means of achieving energy independence and to reduce emissions. DDT and the resulting detonation waves in hydrogen-oxygen can have especially catastrophic consequences in a variety of industrial and energy producing settings related to hydrogen. First-principles numerical simulations of flame acceleration and DDT are required for an in-depth understanding of the phenomena and facilitating design of safe hydrogen systems. The goals of this project were (1) to develop first-principles petascale reactive flow Navier-Stokes simulation code for predicting gaseous high-speed combustion and detonation (HSCD) phenomena and (2) demonstrate feasibility of first-principles simulations of rapid flame acceleration and deflagrationto- detonation transition (DDT) in stoichiometric hydrogen-oxygen mixture (2H2 + O2). The goals of the project have been accomplished. We have developed a novel numerical simulation code, named HSCD, for performing first-principles direct numerical simulations of high-speed hydrogen combustion. We carried out a series of validating numerical simulations of inert and reactive shock reflection experiments in shock tubes. We then performed a pilot numerical simulation of flame acceleration in a long pipe. The simulation showed the transition of the rapidly accelerating flame into a detonation. The DDT simulations were performed using BG/Q Mira at the Argonne National Laboratiory, currently the fourth fastest super-computer in the world. The HSCD is currently being actively used on BG/QMira for a systematic study of the DDT processes using computational resources provided through the 2014-2016 INCITE allocation ”First-principles simulations of high-speed combustion and detonation.” While the project was focused on hydrogen-oxygen and on DDT, with appropriate modifications of the input physics (reaction kinetics, transport coefficients, equation of state) the code has a much broader applicability to petascale simulations of high speed combustion and detonation phenomena in reacting gases, and to high speed viscous gaseous flows in general. Project activities included three major steps – (1) development of physical and numerical models, (2) code validation, and (3) demonstration simulation of flame acceleration and DDT in a long pipe.

  2. The Handicap Principle, Strategic Information Warfare and the Paradox of Asymmetry

    SciTech Connect (OSTI)

    Ma, Zhanshan; Sheldon, Frederick T; Krings, Axel

    2010-01-01

    The term asymmetric threat (or warfare) often refers to tactics utilized by countries, terrorist groups, or individuals to carry out attacks on a superior opponent while trying to avoid direct confrontation. Information warfare is sometimes also referred to as a type of asymmetric warfare perhaps due to its asymmetry in terms of cost and efficacy. Obviously, there are differences and commonalities between two types of asymmetric warfare. One major difference lies in the goal to avoid confrontation and one commonality is the asymmetry. Regardless, the unique properties surrounding asymmetric warfare warrant a strategic-level study. Despite enormous studies conducted in the last decade, a consensus on the strategy a nation state should take to deal with asymmetric threat seems still intriguing. In this article, we try to shed some light on the issue from the handicap principle in the context of information warfare. The Handicap principle was first proposed by Zahavi (1975) to explain the honesty or reliability of animal communication signals. He argued that in a signaling system such as one used in mate selection, a superior male is able to signal with a highly developed "handicap" to demonstrate its quality, and the handicap serves "as a kind of (quality) test imposed on the individual" (Zahavi 1975, Searcy and Nowicki 2005). The underlying thread that inspires us for the attempt to establish a connection between the two apparently unrelated areas is the observation that competition, communication and cooperation (3C), which are three fundamental processes in nature and against which natural selection optimize living things, may also make sense in human society. Furthermore, any communication networks, whether it is biological networks (such as animal communication networks) or computer networks (such as the Internet) must be reasonably reliable (honest in the case of animal signaling) to fulfill its missions for transmitting and receiving messages. The strategic goal of information warfare is then to destroy or defend the reliability (honesty) of communication networks. The handicap principle that governs the reliability (honesty) of animal communication networks can be considered as the nature s version of information warfare strategy because it is a product of natural selection. What is particularly interesting is to transfer the evolutionary game theory models [e.g., Sir Philip Sydney (SPS) game] for the handicap principle to the study of information warfare. In a broad perspective, we realize that the handicap principle may actually contradict the principle of asymmetry in asymmetric warfare. Anyway, not every species of animals has evolved expensive signaling equipments like male peacocks (whose exaggerated train is an example of handicap). Furthermore, the handicap principle is not only about communication, and it also embodies the spirits of cooperation and competition. In human societies, communication modulates cooperation and competition; so does in animal communication networks. Therefore, to evolve or maintain a sustainable communication network, the proper strategy should be to balance (modulate) the cooperation and competition with communication tools (information warfare tools), which is perhaps in contradiction with the asymmetric strategy. There might be a paradox in the strategy of asymmetric warfare, and whether or not information warfare can be used as an asymmetric tool is still an open question.

  3. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Golden Gate National Recreation Area

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort

    2014-03-01

    Battelle Energy Alliance, LLC, managing and operating contractor for the U.S. Department of Energy's Idaho National Laboratory, is the lead laboratory for U.S. Department of Energy Advanced Vehicle Testing. Battelle Energy Alliance, LLC contracted with Intertek Testing Services, North America (ITSNA) to collect data on federal fleet operations as part of the Advanced Vehicle Testing Activity's Federal Fleet Vehicle Data Logging and Characterization study. The Advanced Vehicle Testing Activity study seeks to collect data to validate the utilization of advanced electric drive vehicle transportation. This report focuses on the Golden Gate National Recreation Area (GGNRA) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of plug-in electric vehicles (PEVs) into the agencies' fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (PHEV) (collectively PEVs) can fulfill the mission requirements. GGNRA identified 182 vehicles in its fleet, which are under the management of the U.S. General Services Administration. Fleet vehicle mission categories are defined in Section 4, and while the GGNRA vehicles conduct many different missions, only two (i.e., support and law enforcement missions) were selected by agency management to be part of this fleet evaluation. The selected vehicles included sedans, trucks, and sport-utility vehicles. This report will show that battery electric vehicles and/or PHEVs are capable of performing the required missions and providing an alternative vehicle for support vehicles and PHEVs provide the same for law enforcement, because each has a sufficient range for individual trips and time is available each day for charging to accommodate multiple trips per day. These charging events could occur at the vehicle home base, high-use work areas, or intermediately along routes that the vehicles frequently travel. Replacement of vehicles in the current fleet would result in significant reductions in the emission of greenhouse gases and petroleum use, while also reducing fuel costs. The San Francisco Bay Area is a leader in the adoption of PEVs in the United States. PEV charging stations, or more appropriately identified as electric vehicle supply equipment, located on the GGNRA facility would be a benefit for both GGNRA fleets and general public use. Fleet drivers and park visitors operating privately owned PEVs benefit by using the charging infrastructure. ITSNA recommends location analysis of the GGNRA site to identify the optimal placement of the electric vehicle supply equipment station. ITSNA recognizes the support of Idaho National Laboratory and ICF International for their efforts to initiate communication with the National Parks Service and GGNRA for participation in the study. ITSNA is pleased to provide this report and is encouraged by the high interest and support from the National Park Service and GGNRA personnel.

  4. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Grand Canyon National Park

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort; Ian Nienhueser

    2014-08-01

    This report focuses on the Grand Canyon National Park (GCNP) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of PEVs into the agencies’ fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (collectively PEVs) can fulfill the mission requirements.

  5. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Sleeping Bear Dunes National Lakeshore

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort

    2014-11-01

    This report focuses on the Sleeping Bear Dunes National Lakeshore (SLBE) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of plug-in electric vehicles (PEVs) into the agencies’ fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle (BEV) or plug-in hybrid electric vehicle (PHEV) (collectively plug-in electric vehicles, or PEVs) can fulfill the mission requirements.

  6. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for Department of Health and Human Services – ASPR

    SciTech Connect (OSTI)

    Schey, Steve; Francfort, Jim

    2015-06-01

    This report focuses on the Department of Health and Human Services, Assistant Secretary for Preparedness and Response fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of PEVs into the agency’s fleet. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (collectively referred to as PEVs) can fulfill the mission requirements.

  7. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Fort Vancouver National Historic Site

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort

    2014-03-01

    Battelle Energy Alliance, LLC, managing and operating contractor for the U.S. Department of Energy’s Idaho National Laboratory, is the lead laboratory for the U.S. Department of Energy’s Advanced Vehicle Testing. Battelle Energy Alliance, LLC contracted with Intertek Testing Services, North America (ITSNA) to collect data on federal fleet operations as part of the Advanced Vehicle Testing Activity’s Federal Fleet Vehicle Data Logging and Characterization study. The Advanced Vehicle Testing Activity study seeks to collect data to validate the use of advanced electric drive vehicle transportation. This report focuses on the Fort Vancouver National Historic Site (FVNHS) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of electric vehicles (EVs) into the agencies’ fleet. Individual observations of the selected vehicles provided the basis for recommendations related to EV adoption and whether a battery electric vehicle (BEV) or plug-in hybrid electric vehicle (PHEV) (collectively plug-in electric vehicles) could fulfill the mission requirements. FVNHS identified three vehicles in its fleet for consideration. While the FVNHS vehicles conduct many different missions, only two (i.e., support and pool missions) were selected by agency management to be part of this fleet evaluation. The logged vehicles included a pickup truck and a minivan. This report will show that BEVs and PHEVs are capable of performing the required missions and providing an alternative vehicle for both mission categories, because each has sufficient range for individual trips and time available each day for charging to accommodate multiple trips per day. These charging events could occur at the vehicle’s home base, high-use work areas, or in intermediate areas along routes that the vehicles frequently travel. Replacement of vehicles in the current fleet would result in significant reductions in emission of greenhouse gases and petroleum use, while also reducing fuel costs. The Vancouver, Washington area and neighboring Portland, Oregon are leaders in adoption of PEVs in the United States1. PEV charging stations, or more appropriately identified as electric vehicle supply equipment, located on the FVNHS facility would be a benefit for both FVNHS fleets and general public use. Fleet drivers and park visitors operating privately owned plug-in electric vehicles benefit by using the charging infrastructure. ITSNA recommends location analysis of the FVNHS site to identify the optimal station placement for electric vehicle supply equipment. ITSNA recognizes the support of Idaho National Laboratory and ICF International for their efforts to initiate communication with the National Parks Service and FVNHS for participation in this study. ITSNA is pleased to provide this report and is encouraged by the high interest and support from the National Park Service and FVNHS personnel

  8. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for Department of Veterans Affairs – VA Manhattan Campus

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort

    2014-10-01

    This report focuses on the Department of Veterans Affairs, VA Manhattan Campus (VA- Manhattan) fleet to identify the daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support successful introduction of plug-in electric vehicles (PEVs) into the agency’s fleet. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (collectively called PEVs) can fulfill the mission requirements.

  9. ARM MJO Investigation Experiment on

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

    5 ARM MJO Investigation Experiment on Gan Island (AMIE-Gan) Science Plan October 2011-March 2012 C Long Principal Investigator A Del Genio P May M Deng S McFarlane X Fu P Minnis W Gustafson C Schumacher R Houze A Vogelmann C Jakob Y Wang M Jensen P Webster R Johnson S Xie X Liu C Zhang E Luke April 2011 DISCLAIMER This report was prepared as an account of work sponsored by the U.S. Government. Neither the United States nor any agency thereof, nor any of their employees, makes any warranty,

  10. EA-1992: Funding for Principle Power, Inc., for the WindFloat Pacific Offshore Wind Demonstration Project, offshore of Coos Bay, Oregon

    Broader source: Energy.gov [DOE]

    Funding for Principle Power, Inc., for the WindFloat Pacific Offshore Wind Demonstration Project, offshore of Coos Bay, Oregon

  11. Chemical Frustration. A Design Principle for the Discovery of New Complex Alloy and Intermetallic Phases, Final Report

    SciTech Connect (OSTI)

    Fredrickson, Daniel C

    2015-06-23

    Final technical report for "Chemical Frustration: A Design Principle for the Discovery of New Complex Alloy and Intermetallic Phases" funded by the Office of Science through the Materials Chemistry Program of the Office of Basic Energy Sciences.

  12. From First Principles Design to Realization of Bimetallic Catalysts for Enhanced Selectivity

    SciTech Connect (OSTI)

    Lobo, Raul F.; Crooks, Richard M.; Mavrikakis, Manos

    2014-04-08

    “Catalysis by design” has been a dream for decades. To specify the composition and structure of matter to effect a desired catalytic transformation with desired and predicted rate and selectivity remains a monumental challenge, especially in heterogeneous catalysis. Our research thrusts have been chosen not only for their practical and scientific relevance, e.g. for more efficient and sustainable chemicals and fuels production, but also because they provide a foundation for developing and exploring broadly applicable principles and strategies for catalyst design.

  13. Generalized uncertainty principle in f(R) gravity for a charged black hole

    SciTech Connect (OSTI)

    Said, Jackson Levi; Adami, Kristian Zarb

    2011-02-15

    Using f(R) gravity in the Palatini formularism, the metric for a charged spherically symmetric black hole is derived, taking the Ricci scalar curvature to be constant. The generalized uncertainty principle is then used to calculate the temperature of the resulting black hole; through this the entropy is found correcting the Bekenstein-Hawking entropy in this case. Using the entropy the tunneling probability and heat capacity are calculated up to the order of the Planck length, which produces an extra factor that becomes important as black holes become small, such as in the case of mini-black holes.

  14. New class of planar ferroelectric Mott insulators via first-principles design

    SciTech Connect (OSTI)

    Kim, Chanul; Park, Hyowon; Marianetti, Chris A.

    2015-12-11

    which is not common in known materials. Here we use first-principles calculations to design layered double perovskite oxides AABBO6 which achieve the aforementioned properties in the context of Mott insulators. In our design rules, the gap is dictated by B/B electronegativity difference in a Mott state, while the polarization is obtained via nominal d0 filling on the B-site, A-type cations bearing lone-pair electrons, and A = A size mismatch. Successful execution is demonstrated in BaBiCuVO6, BaBiNiVO6, BaLaCuVO6, and PbLaCuVO6.

  15. Main Principles of the Perspective System of SNF Management in Russia - 13333

    SciTech Connect (OSTI)

    Baryshnikov, Mikhail

    2013-07-01

    For the last several years the System of the Spent Nuclear Fuel management in Russia was seriously changed. The paper describes the main principles of the changes and the bases of the Perspective System of SNF Management in Russia. Among such the bases there are the theses with the interesting names like 'total knowledge', 'pollutant pays' and 'pay and forget'. There is also a brief description of the modern Russian SNF Management Infrastructure. And an outline of the whole System. The System which is - in case of Russia - is quite necessary to adjust SNF accumulation and to utilize the nuclear heritage. (authors)

  16. Impact of first-principles properties of deuterium–tritium on inertial confinement fusion target designsa)

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

    Hu, S. X.; Goncharov, V. N.; Boehly, T. R.; McCrory, R. L.; Skupsky, S.; Collins, L. A.; Kress, J. D.; Militizer, B.

    2015-04-20

    In this study, a comprehensive knowledge of the properties of high-energy-density plasmas is crucial to understanding and designing low-adiabat, inertial confinement fusion (ICF) implosions through hydrodynamic simulations. Warm-dense-matter (WDM) conditions are routinely accessed by low-adiabat ICF implosions, in which strong coupling and electron degeneracy often play an important role in determining the properties of warm dense plasmas. The WDM properties of deuterium–tritium (DT) mixtures and ablator materials, such as the equation of state, thermal conductivity, opacity, and stopping power, were usually estimated by models in hydro-codes used for ICF simulations. In these models, many-body and quantum effects were only approximatelymore » taken into account in the WMD regime. Moreover, the self-consistency among these models was often missing. To examine the accuracy of these models, we have systematically calculated the static, transport, and optical properties of warm dense DT plasmas, using first-principles (FP) methods over a wide range of densities and temperatures that cover the ICF “path” to ignition. These FP methods include the path-integral Monte Carlo (PIMC) and quantum-molecular dynamics (QMD) simulations, which treat electrons with many-body quantum theory. The first-principles equation-of-state table, thermal conductivities (KQMD), and first principles opacity table of DT have been self-consistently derived from the combined PIMC and QMD calculations. They have been compared with the typical models, and their effects to ICF simulations have been separately examined in previous publications. In this paper, we focus on their combined effects to ICF implosions through hydro-simulations using these FP-based properties of DT in comparison with the usual model simulations. We found that the predictions of ICF neutron yield could change by up to a factor of –2.5; the lower the adiabat of DT capsules, the more variations in hydro-simulations. The FP-based properties of DT are essential for designing ICF ignition targets. Future work on first-principles studies of ICF ablator materials is also discussed.« less

  17. A first-principles study of the effect of charge doping on the 1D

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

    polymerization of C60 | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome first-principles study of the effect of charge doping on the 1D polymerization of C60 Previous Next List R Poloni, A San Miguel and M V Fernandez-Serra, Science 336 (6084), 1018 (2012) DOI:10.1088/0953-8984/24/9/095501 Poloni121 Abstract: We study the interplay between charge doping and intermolecular distance in the polymerization of C60 fullerene chains by means of density functional

  18. Impact of first-principles properties of deuterium–tritium on inertial confinement fusion target designs

    SciTech Connect (OSTI)

    Hu, S. X. Goncharov, V. N.; Boehly, T. R.; McCrory, R. L.; Skupsky, S.; Collins, L. A.; Kress, J. D.; Militzer, B.

    2015-05-15

    A comprehensive knowledge of the properties of high-energy-density plasmas is crucial to understanding and designing low-adiabat, inertial confinement fusion (ICF) implosions through hydrodynamic simulations. Warm-dense-matter (WDM) conditions are routinely accessed by low-adiabat ICF implosions, in which strong coupling and electron degeneracy often play an important role in determining the properties of warm dense plasmas. The WDM properties of deuterium–tritium (DT) mixtures and ablator materials, such as the equation of state, thermal conductivity, opacity, and stopping power, were usually estimated by models in hydro-codes used for ICF simulations. In these models, many-body and quantum effects were only approximately taken into account in the WMD regime. Moreover, the self-consistency among these models was often missing. To examine the accuracy of these models, we have systematically calculated the static, transport, and optical properties of warm dense DT plasmas, using first-principles (FP) methods over a wide range of densities and temperatures that cover the ICF “path” to ignition. These FP methods include the path-integral Monte Carlo (PIMC) and quantum-molecular dynamics (QMD) simulations, which treat electrons with many-body quantum theory. The first-principles equation-of-state table, thermal conductivities (κ{sub QMD}), and first principles opacity table of DT have been self-consistently derived from the combined PIMC and QMD calculations. They have been compared with the typical models, and their effects to ICF simulations have been separately examined in previous publications. In this paper, we focus on their combined effects to ICF implosions through hydro-simulations using these FP-based properties of DT in comparison with the usual model simulations. We found that the predictions of ICF neutron yield could change by up to a factor of ∼2.5; the lower the adiabat of DT capsules, the more variations in hydro-simulations. The FP-based properties of DT are essential for designing ICF ignition targets. Future work on first-principles studies of ICF ablator materials is also discussed.

  19. Impact of first-principles properties of deuterium–tritium on inertial confinement fusion target designs

    SciTech Connect (OSTI)

    Hu, Suxing X.; Goncharov, V. N.; Boehly, T. R.; McCrory, R. L.; Skupsky, S.; Collins, Lee A.; Kress, Joel David; Militzer, B.

    2015-05-01

    A comprehensive knowledge of the properties of high-energy-density plasmas is crucial to understanding and designing low-adiabat, inertial confinement fusion (ICF) implosions through hydrodynamic simulations. Warm-dense-matter (WDM) conditions are routinely accessed by low-adiabat ICF implosions, in which strong coupling and electron degeneracy often play an important role in determining the properties of warm dense plasmas. The WDM properties of deuterium–tritium (DT) mixtures and ablator materials, such as the equation of state (EOS), thermal conductivity, opacity, and stopping power, were usually estimated by models in hydrocodes used for ICF simulations. In these models, many-body and quantum effects were only approximately taken into account in the WMD regime. Moreover, the self-consistency among these models was often missing. To examine the accuracy of these models, we have systematically calculated the static, transport, and optical properties of warm dense DT plasmas, using first-principles (FP) methods over a wide range of densities and temperatures that cover the ICF “path” to ignition. These FP methods include the pathintegral Monte Carlo (PIMC) and quantum-molecular dynamics (QMD) simulations, which treat electrons with many-body quantum theory. The first-principles equation-of-state (FPEOS) table, thermal conductivities (KQMD), and first principles opacity table (FPOT) of DT have been self-consistently derived from the combined PIMC and QMD calculations. They have been compared with the typical models, and their effects to ICF simulations have been separately examined in previous publications. In this paper, we focus on their combined effects to ICF implosions through hydro-simulations using these FP-based properties of DT in comparison with the usual model simulations. We found that the predictions of ICF neutron yield could change by up to a factor of ~2.5; the lower the adiabat of DT capsules, the more variations in hydro-simulations. The FP-based properties of DT are essential for designing ICF ignition targets. We also discuss future work on first-principles studies of ICF ablator materials.

  20. Impact of first-principles properties of deuterium–tritium on inertial confinement fusion target designs

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

    Hu, Suxing X.; Goncharov, V. N.; Boehly, T. R.; McCrory, R. L.; Skupsky, S.; Collins, Lee A.; Kress, Joel David; Militzer, B.

    2015-05-01

    A comprehensive knowledge of the properties of high-energy-density plasmas is crucial to understanding and designing low-adiabat, inertial confinement fusion (ICF) implosions through hydrodynamic simulations. Warm-dense-matter (WDM) conditions are routinely accessed by low-adiabat ICF implosions, in which strong coupling and electron degeneracy often play an important role in determining the properties of warm dense plasmas. The WDM properties of deuterium–tritium (DT) mixtures and ablator materials, such as the equation of state (EOS), thermal conductivity, opacity, and stopping power, were usually estimated by models in hydrocodes used for ICF simulations. In these models, many-body and quantum effects were only approximately taken intomore » account in the WMD regime. Moreover, the self-consistency among these models was often missing. To examine the accuracy of these models, we have systematically calculated the static, transport, and optical properties of warm dense DT plasmas, using first-principles (FP) methods over a wide range of densities and temperatures that cover the ICF “path” to ignition. These FP methods include the pathintegral Monte Carlo (PIMC) and quantum-molecular dynamics (QMD) simulations, which treat electrons with many-body quantum theory. The first-principles equation-of-state (FPEOS) table, thermal conductivities (KQMD), and first principles opacity table (FPOT) of DT have been self-consistently derived from the combined PIMC and QMD calculations. They have been compared with the typical models, and their effects to ICF simulations have been separately examined in previous publications. In this paper, we focus on their combined effects to ICF implosions through hydro-simulations using these FP-based properties of DT in comparison with the usual model simulations. We found that the predictions of ICF neutron yield could change by up to a factor of ~2.5; the lower the adiabat of DT capsules, the more variations in hydro-simulations. The FP-based properties of DT are essential for designing ICF ignition targets. We also discuss future work on first-principles studies of ICF ablator materials.« less

  1. Federally Led Accident Investigation Reports | Department of...

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

    Federally Led Accident Investigation Reports Federally Led Accident Investigation Reports Includes Pre-March 2011 Type A Reports June 1, 1999 Type A Accident Investigation Board...

  2. Notification of Investigation at BWCS

    Energy Savers [EERE]

    July 17, 2015 Mr. John D. Woolery President and Project Manager Portsmouth and Paducah DUF 6 Project BWXT Conversion Services, LLC 1020 Monarch Street Suite 300 Lexington, Kentucky 40513 Dear Mr. Woolery: This letter serves as notification of the Office of Enterprise Assessments' Office of Enforcement's decision to conduct an investigation into the facts and circumstances associated with the potassium hydroxide injury event at the Portsmouth DUF 6 Conversion Plant on March 25, 2015. BWXT

  3. AMIE (ACRF MJO Investigation Experiment)

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

    AMIE (ACRF MJO Investigation Experiment) Planning Meeting AMIE Science Steering Committee Chuck Long, Tony DelGenio, Bill Gustafson, Bob Houze, Mike Jensen, Steve Klein, Ruby Leung, Xaihong Liu, Ed Luke, Peter May, Sally McFarlane, Pat Minnis, Courtney Schumacher, Andy Vogelmann, Yi Wang, Xiaoqing Wu, Shaohong Xie Agenda * Proposal due May 1 !!!!!! * Primary purpose of this meeting is discussions and planning in support of completing the proposal * Defining the science and ACRF support needed to

  4. The effects of surface bond relaxation on electronic structure of Sb{sub 2}Te{sub 3} nano-films by first-principles calculation

    SciTech Connect (OSTI)

    Li, C. Zhao, Y. F.; Fu, C. X.; Gong, Y. Y.; Chi, B. Q.; Sun, C. Q.

    2014-10-15

    The effects of vertical compressive stress on Sb{sub 2}Te{sub 3} nano-films have been investigated by the first principles calculation, including stability, electronic structure, crystal structure, and bond order. It is found that the band gap of nano-film is sensitive to the stress in Sb{sub 2}Te{sub 3} nano-film and the critical thickness increases under compressive stress. The band gap and band order of Sb{sub 2}Te{sub 3} film has been affected collectively by the surface and internal crystal structures, the contraction ratio between surface bond length of nano-film and the corresponding bond length of bulk decides the band order of Sb{sub 2}Te{sub 3} film.

  5. Structure, magnetic, and transport properties of epitaxial ZnFe{sub 2}O{sub 4} films: An experimental and first-principles study

    SciTech Connect (OSTI)

    Jin, Chao; Li, Peng; Mi, Wenbo; Bai, Haili

    2014-06-07

    We investigated the structure, magnetic, and transport properties of ZnFe{sub 2}O{sub 4} (ZFO) by both experimental and first-principles study. The epitaxial ZFO films prepared with various oxygen partial pressures show clear semiconducting behavior and room-temperature ferrimagnetism. A large magnetoresistance of −21.2% was observed at 75 K. The room-temperature ferrimagnetism is induced by the cation disordering. The calculated results indicate that under cation disordering, the ZFO with various oxygen vacancies is a half-metal semiconductor with both possible positive and negative signs of the spin polarization, while ZFO with no oxygen vacancies is an insulator and can be acted as the spin filter layer in spintronic devises.

  6. Visible-light absorption and large band-gap bowing of GaN1-xSbx from first principles

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

    Sheetz, R. Michael; Richter, Ernst; Andriotis, Antonis N.; Lisenkov, Sergey; Pendyala, Chandrashekhar; Sunkara, Mahendra K.; Menon, Madhu

    2011-08-01

    Applicability of the Ga(Sbx)N1-x alloys for practical realization of photoelectrochemical water splitting is investigated using first-principles density functional theory incorporating the local density approximation and generalized gradient approximation plus the Hubbard U parameter formalism. Our calculations reveal that a relatively small concentration of Sb impurities is sufficient to achieve a significant narrowing of the band gap, enabling absorption of visible light. Theoretical results predict that Ga(Sbx)N1-x alloys with 2-eV band gaps straddle the potential window at moderate to low pH values, thus indicating that dilute Ga(Sbx)N1-x alloys could be potential candidates for splitting water under visible light irradiation.

  7. Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations

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

    Zhao, Xin; Ke, Liqin; Nguyen, Manh Cuong; Wang, Cai -Zhuang; Ho, Kai -Ming

    2015-06-23

    The structures and magnetic properties of Co-Zr-B alloys near the composition of Co5Zr with B at. % ≤6% were studied using adaptive genetic algorithm and first-principles calculations. The energy and magnetic moment contour maps as a function of chemical composition were constructed for the Co-Zr-B magnet alloys through extensive structure searches and calculations. We found that Co-Zr-B system exhibits the same structure motif as the “Co11Zr2” polymorphs, and such motif plays a key role in achieving strong magnetic anisotropy. Boron atoms were found to be able to substitute cobalt atoms or occupy the “interruption” sites. First-principles calculations showed that themore » magnetocrystalline anisotropy energies of the boron-doped alloys are close to that of the high-temperature rhombohedral Co5Zr phase and larger than that of the low-temperature Co5.25Zr phase. As a result, our calculations provide useful guidelines for further experimental optimization of the magnetic performances of these alloys.« less

  8. Uncertainty quantification in application of the enrichment meter principle for nondestructive assay of special nuclear material

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

    Burr, Tom; Croft, Stephen; Jarman, Kenneth D.

    2015-09-05

    The various methods of nondestructive assay (NDA) of special nuclear material (SNM) have applications in nuclear nonproliferation, including detection and identification of illicit SNM at border crossings, and quantifying SNM at nuclear facilities for safeguards. No assay method is complete without “error bars,” which provide one way of expressing confidence in the assay result. Consequently, NDA specialists typically quantify total uncertainty in terms of “random” and “systematic” components, and then specify error bars for the total mass estimate in multiple items. Uncertainty quantification (UQ) for NDA has always been important, but it is recognized that greater rigor is needed andmore » achievable using modern statistical methods. To this end, we describe the extent to which the guideline for expressing uncertainty in measurements (GUM) can be used for NDA. Also, we propose improvements over GUM for NDA by illustrating UQ challenges that it does not address, including calibration with errors in predictors, model error, and item-specific biases. A case study is presented using low-resolution NaI spectra and applying the enrichment meter principle to estimate the U-235 mass in an item. The case study illustrates how to update the current American Society for Testing and Materials guide for application of the enrichment meter principle using gamma spectra from a NaI detector.« less

  9. First-Principles Modeling of Hydrogen Storage in Metal Hydride Systems

    SciTech Connect (OSTI)

    J. Karl Johnson

    2011-05-20

    The objective of this project is to complement experimental efforts of MHoCE partners by using state-of-the-art theory and modeling to study the structure, thermodynamics, and kinetics of hydrogen storage materials. Specific goals include prediction of the heats of formation and other thermodynamic properties of alloys from first principles methods, identification of new alloys that can be tested experimentally, calculation of surface and energetic properties of nanoparticles, and calculation of kinetics involved with hydrogenation and dehydrogenation processes. Discovery of new metal hydrides with enhanced properties compared with existing materials is a critical need for the Metal Hydride Center of Excellence. New materials discovery can be aided by the use of first principles (ab initio) computational modeling in two ways: (1) The properties, including mechanisms, of existing materials can be better elucidated through a combined modeling/experimental approach. (2) The thermodynamic properties of novel materials that have not been made can, in many cases, be quickly screened with ab initio methods. We have used state-of-the-art computational techniques to explore millions of possible reaction conditions consisting of different element spaces, compositions, and temperatures. We have identified potentially promising single- and multi-step reactions that can be explored experimentally.

  10. General variational principle for spherically symmetric perturbations in diffeomorphism covariant theories

    SciTech Connect (OSTI)

    Seifert, Michael D.; Wald, Robert M.

    2007-04-15

    We present a general method for the analysis of the stability of static, spherically symmetric solutions to spherically symmetric perturbations in an arbitrary diffeomorphism covariant Lagrangian field theory. Our method involves fixing the gauge and solving the linearized gravitational field equations to eliminate the metric perturbation variables in terms of the matter variables. In a wide class of cases--which include f(R) gravity, the Einstein-aether theory of Jacobson and Mattingly, and Bekenstein's TeVeS theory--the remaining perturbation equations for the matter fields are second order in time. We show how the symplectic current arising from the original Lagrangian gives rise to a symmetric bilinear form on the variables of the reduced theory. If this bilinear form is positive definite, it provides an inner product that puts the equations of motion of the reduced theory into a self-adjoint form. A variational principle can then be written down immediately, from which stability can be tested readily. We illustrate our method in the case of Einstein's equation with perfect fluid matter, thereby rederiving, in a systematic manner, Chandrasekhar's variational principle for radial oscillations of spherically symmetric stars. In a subsequent paper, we will apply our analysis to f(R) gravity, the Einstein-aether theory, and Bekenstein's TeVeS theory.

  11. Uncertainty quantification in application of the enrichment meter principle for nondestructive assay of special nuclear material

    SciTech Connect (OSTI)

    Burr, Tom; Croft, Stephen; Jarman, Kenneth D.

    2015-09-05

    The various methods of nondestructive assay (NDA) of special nuclear material (SNM) have applications in nuclear nonproliferation, including detection and identification of illicit SNM at border crossings, and quantifying SNM at nuclear facilities for safeguards. No assay method is complete without “error bars,” which provide one way of expressing confidence in the assay result. Consequently, NDA specialists typically quantify total uncertainty in terms of “random” and “systematic” components, and then specify error bars for the total mass estimate in multiple items. Uncertainty quantification (UQ) for NDA has always been important, but it is recognized that greater rigor is needed and achievable using modern statistical methods. To this end, we describe the extent to which the guideline for expressing uncertainty in measurements (GUM) can be used for NDA. Also, we propose improvements over GUM for NDA by illustrating UQ challenges that it does not address, including calibration with errors in predictors, model error, and item-specific biases. A case study is presented using low-resolution NaI spectra and applying the enrichment meter principle to estimate the U-235 mass in an item. The case study illustrates how to update the current American Society for Testing and Materials guide for application of the enrichment meter principle using gamma spectra from a NaI detector.

  12. Covariant energymomentum and an uncertainty principle for general relativity

    SciTech Connect (OSTI)

    Cooperstock, F.I.; Dupre, M.J.

    2013-12-15

    We introduce a naturally-defined totally invariant spacetime energy expression for general relativity incorporating the contribution from gravity. The extension links seamlessly to the action integral for the gravitational field. The demand that the general expression for arbitrary systems reduces to the Tolman integral in the case of stationary bounded distributions, leads to the matter-localized Ricci integral for energymomentum in support of the energy localization hypothesis. The role of the observer is addressed and as an extension of the special relativistic case, the field of observers comoving with the matter is seen to compute the intrinsic global energy of a system. The new localized energy supports the Bonnor claim that the Szekeres collapsing dust solutions are energy-conserving. It is suggested that in the extreme of strong gravity, the Heisenberg Uncertainty Principle be generalized in terms of spacetime energymomentum. -- Highlights: We present a totally invariant spacetime energy expression for general relativity incorporating the contribution from gravity. Demand for the general expression to reduce to the Tolman integral for stationary systems supports the Ricci integral as energymomentum. Localized energy via the Ricci integral is consistent with the energy localization hypothesis. New localized energy supports the Bonnor claim that the Szekeres collapsing dust solutions are energy-conserving. Suggest the Heisenberg Uncertainty Principle be generalized in terms of spacetime energymomentum in strong gravity extreme.

  13. Predictions of the causal entropic principle for environmental conditions of the universe

    SciTech Connect (OSTI)

    Cline, James M.; Frey, Andrew R.; Holder, Gilbert

    2008-03-15

    The causal entropic principle has been proposed as an alternative to the anthropic principle for understanding the magnitude of the cosmological constant. In this approach, the probability to create observers is assumed to be proportional to the entropy production {delta}S in a maximal causally connected region--the causal diamond. We improve on the original treatment by better quantifying the entropy production due to stars, using an analytic model for the star formation history which accurately accounts for changes in cosmological parameters. We calculate the dependence of {delta}S on the density contrast Q={delta}{rho}/{rho}, and find that our universe is much closer to the most probable value of Q than in the usual anthropic approach and that probabilities are relatively weakly dependent on this amplitude. In addition, we make first estimates of the dependence of {delta}S on the baryon fraction and overall matter abundance. Finally, we also explore the possibility that decays of dark matter, suggested by various observed gamma ray excesses, might produce a comparable amount of entropy to stars.

  14. Proof-of-principle test for thermoelectric generator for diesel engines; Final report

    SciTech Connect (OSTI)

    1991-07-26

    In September of 1987, the principals of what is now Hi-Z TECHNOLOGY, INC. applied to the National Bureau of Standards (now National Institute of Standards and Technology, NIST) under the Energy Related Inventions Program. The invention was entitled ``Thermoelectric Generator for Diesel Engines.`` The National Institute of Standards and Technology evaluated the invention and on January 12, 1989 forwarded Recommendation Number 455 to the Department of Energy (DOE). This recommendation informed the DOE that the invention had been selected for recommendation by the NIST for possible funding by the DOE. Following the recommendation of the NIST, the DOE contacted Hi-Z to work out a development program for the generator. A contract for a grant to design, fabricate, and test a Proof-of-Principle exhaust powered thermoelectric generator for Diesel engines was signed October 19, 1989. Hi-Z provided the thermoelectric modules used in the generator as their contribution to the project. The purpose of this Grant Program was to design, build, and test a small-scale, Proof-of-Principle thermoelectric generator for a Diesel engine. 15 figs., 1 tab.

  15. Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations

    SciTech Connect (OSTI)

    Zhao, Xin; Ke, Liqin; Nguyen, Manh Cuong; Wang, Cai -Zhuang; Ho, Kai -Ming

    2015-06-23

    The structures and magnetic properties of Co-Zr-B alloys near the composition of Co5Zr with B at. % ≤6% were studied using adaptive genetic algorithm and first-principles calculations. The energy and magnetic moment contour maps as a function of chemical composition were constructed for the Co-Zr-B magnet alloys through extensive structure searches and calculations. We found that Co-Zr-B system exhibits the same structure motif as the “Co11Zr2” polymorphs, and such motif plays a key role in achieving strong magnetic anisotropy. Boron atoms were found to be able to substitute cobalt atoms or occupy the “interruption” sites. First-principles calculations showed that the magnetocrystalline anisotropy energies of the boron-doped alloys are close to that of the high-temperature rhombohedral Co5Zr phase and larger than that of the low-temperature Co5.25Zr phase. As a result, our calculations provide useful guidelines for further experimental optimization of the magnetic performances of these alloys.

  16. Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations

    SciTech Connect (OSTI)

    Han, Yong; Evans, James W.

    2015-10-27

    Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C6-ring center is above a fcc site, a hcp site, and a surface Ru atom of Ru(0001), respectively. The adsorption energy of a Ru adatom is evaluated at specific sites in these distinct regions. We find the strongest binding at an adsorption site above a C atom in the fcc region, next strongest in the hcp region, then the fcc-hcp boundary (ridge) between these regions, and the weakest binding in the mound region. Behavior is similar to that observed from small-unit-cell calculations of Habenicht et al. [Top. Catal. 57, 69 (2014)], which differ from previous large-scale calculations. We determine the minimum-energy path for local diffusion near the center of the fcc region and obtain a local diffusion barrier of ~0.48 eV. We also estimate a significantly lower local diffusion barrier in the ridge region. These barriers and information on the adsorption energy variation facilitate development of a realistic model for the global potential energy surface for Ru adatoms. Furthermore, this in turn enables simulation studies elucidating diffusion-mediated directed-assembly of Ru nanoclusters during deposition of Ru on G/Ru(0001).

  17. Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations

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

    Han, Yong; Evans, James W.

    2015-10-27

    Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C6-ring center is above a fcc site, a hcp site, and a surface Ru atom of Ru(0001), respectively. The adsorption energy of a Ru adatom is evaluated at specific sites in these distinct regions. We find the strongest binding at an adsorption site above a C atom inmore » the fcc region, next strongest in the hcp region, then the fcc-hcp boundary (ridge) between these regions, and the weakest binding in the mound region. Behavior is similar to that observed from small-unit-cell calculations of Habenicht et al. [Top. Catal. 57, 69 (2014)], which differ from previous large-scale calculations. We determine the minimum-energy path for local diffusion near the center of the fcc region and obtain a local diffusion barrier of ~0.48 eV. We also estimate a significantly lower local diffusion barrier in the ridge region. These barriers and information on the adsorption energy variation facilitate development of a realistic model for the global potential energy surface for Ru adatoms. Furthermore, this in turn enables simulation studies elucidating diffusion-mediated directed-assembly of Ru nanoclusters during deposition of Ru on G/Ru(0001).« less

  18. Experimental and first-principles studies on the elastic properties of α-hafnium metal under pressure

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

    Qi, Xintong; Wang, Xuebing; Chen, Ting; Li, Baosheng

    2016-03-30

    Compressional and shear wave velocities of the α phase of hafnium have been measured up to 10.4 GPa at room temperature using ultrasonic interferometry in a multi-anvil apparatus. A finite strain equation of state analysis yielded Ks0 = 110.4 (5) GPa, G0 = 54.7(5) GPa,Ks0' = 3.7 and G0' = 0.6 for the elastic bulk and shear moduli and their pressure derivatives at ambient conditions. Complementary to the experimental data, the single crystal elastic constants, elastic anisotropy and the unit cell axial ratio c/a of α-hafnium at high pressures were investigated by Density Functional Theory (DFT) based first principles calculations.more » A c/a value of 1.605 is predicted for α-Hf at 40 GPa, which is in excellent agreement with previous experimental results. The low-pressure derivative of the shear modulus observed in our experimental data up to 10 GPa was found to originate from the elastic constant C44 which exhibits negligible pressure dependence within the current experimental pressure range. At higher pressures (>10 GPa), C44 was predicted to soften and the shear wave velocity νS trended to decrease with pressure, which can be interpreted as a precursor to the α-ω transition similar to that observed in other group IV elements (titanium and zirconium). Here, the acoustic velocities, bulk and shear moduli, and the acoustic Debye temperature (θD = 240.1 K) determined from the current experiments were all compared well with those predicted by our theoretical DFT calculations.« less

  19. Type B Accident Investigation, Subcontractor Employee Personal...

    Office of Environmental Management (EM)

    Park, Oak Ridge, Tennessee Type B Accident Investigation, Subcontractor Employee ... PDF icon Type B Accident Investigation, Subcontractor Employee Personal Protective ...

  20. Final Report - SPRU Type B Accident Investigation Report

    Office of Environmental Management (EM)

    ... Integrated Safety Management Guiding Principles ... Technician WS Waste Superintendent v Acronyms ALARA as low as reasonably ...2010 "Demo Ready Checklist" signed off in ...

  1. Neuroimaging Techniques: a Conceptual Overview of Physical Principles, Contribution and History

    SciTech Connect (OSTI)

    Minati, Ludovico

    2006-06-08

    This paper is meant to provide a brief overview of the techniques currently used to image the brain and to study non-invasively its anatomy and function. After a historical summary in the first section, general aspects are outlined in the second section. The subsequent six sections survey, in order, computed tomography (CT), morphological magnetic resonance imaging (MRI), functional magnetic resonance imaging (fMRI), diffusion-tensor magnetic resonance imaging (DWI/DTI), positron emission tomography (PET), and electro- and magneto-encephalography (EEG/MEG) based imaging. Underlying physical principles, modelling and data processing approaches, as well as clinical and research relevance are briefly outlined for each technique. Given the breadth of the scope, there has been no attempt to be comprehensive. The ninth and final section outlines some aspects of active research in neuroimaging.

  2. Thermoelectric properties of AgSbTe? from first-principles calculations

    SciTech Connect (OSTI)

    Rezaei, Nafiseh; Akbarzadeh, Hadi; Hashemifar, S. Javad

    2014-09-14

    The structural, electronic, and transport properties of AgSbTe? are studied by using full-relativistic first-principles electronic structure calculation and semiclassical description of transport parameters. The results indicate that, within various exchange-correlation functionals, the cubic Fd3?m and trigonal R3?m structures of AgSbTe? are more stable than two other considered structures. The computed Seebeck coefficients at different values of the band gap and carrier concentration are accurately compared with the available experimental data to speculate a band gap of about 0.10.35 eV for AgSbTe? compound, in agreement with our calculated electronic structure within the hybrid HSE (Heyd-Scuseria-Ernzerhof) functional. By calculating the semiclassical Seebeck coefficient, electrical conductivity, and electronic part of thermal conductivity, we present the theoretical upper limit of the thermoelectric figure of merit of AgSbTe? as a function of temperature and carrier concentration.

  3. First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces

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

    Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S.

    2014-10-21

    A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1b₁ energy level in water. The application to the specific cases of nonpolar (101¯0 ) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation and themore » dynamical fluctuations in the interface Zn-O and O-H bond orientations. As a result, these effects contribute up to 0.5 eV.« less

  4. First-principles study of Co3(Al,W) alloys using special quasirandom structures

    SciTech Connect (OSTI)

    Jiang, Chao

    2008-01-01

    We have developed 32-atom special quasi-random structures (SQSs) to model the substitutionally random pseudo-binary A3(B0.5C0.5) alloys in L12, D019, and D03 crystal structures, respectively. First-principles SQS calculations are performed to examine the phase stability of the recently identified L12-Co3Al0.5W0.5 compound in the Co-Al-W ternary system. By computing total energy as a function of applied strain, the single-crystal elastic constants of L12-Co3Al0.5W0.5 are also predicted and our results show excellent agreement with recent experimental measurements.

  5. First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces

    SciTech Connect (OSTI)

    Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S.

    2014-10-21

    A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1b? energy level in water. The application to the specific cases of nonpolar (1010 ) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation and the dynamical fluctuations in the interface Zn-O and O-H bond orientations. These effects contribute up to 0.5 eV.

  6. Human Factors Principles in Design of Computer-Mediated Visualization for Robot Missions

    SciTech Connect (OSTI)

    David I Gertman; David J Bruemmer

    2008-12-01

    With increased use of robots as a resource in missions supporting countermine, improvised explosive devices (IEDs), and chemical, biological, radiological nuclear and conventional explosives (CBRNE), fully understanding the best means by which to complement the human operators underlying perceptual and cognitive processes could not be more important. Consistent with control and display integration practices in many other high technology computer-supported applications, current robotic design practices rely highly upon static guidelines and design heuristics that reflect the expertise and experience of the individual designer. In order to use what we know about human factors (HF) to drive human robot interaction (HRI) design, this paper reviews underlying human perception and cognition principles and shows how they were applied to a threat detection domain.

  7. A theoretical study of blue phosphorene nanoribbons based on first-principles calculations

    SciTech Connect (OSTI)

    Xie, Jiafeng; Si, M. S. Yang, D. Z.; Zhang, Z. Y.; Xue, D. S.

    2014-08-21

    Based on first-principles calculations, we present a quantum confinement mechanism for the band gaps of blue phosphorene nanoribbons (BPNRs) as a function of their widths. The BPNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen saturation. Both the two types of nanoribbons are shown to be indirect semiconductors. An enhanced energy gap of around 1?eV can be realized when the ribbon's width decreases to ?10?. The underlying physics is ascribed to the quantum confinement effect. More importantly, the parameters to describe quantum confinement are obtained by fitting the calculated band gaps with respect to their widths. The results show that the quantum confinement in armchair nanoribbons is stronger than that in zigzag ones. This study provides an efficient approach to tune the band gap in BPNRs.

  8. Substrate-induced magnetism in BN layer: A first-principles study

    SciTech Connect (OSTI)

    Zhou, Yungang; Zu, Xiaotao T.; Gao, Fei

    2011-06-01

    We predict an accepted configuration of hexagonal boron nitride (BN) layer on Co(111) surface by first-principles calculations. The calculated adsorption energy of this configuration is around -0.51 eV with a corrugation close to 0.1 Å. Polarized spin states are induced in BN layer due to the hybridization of the BN layer with the substrate Co, which gives rise to a magnetic moment of 0.2 μB on each pair of BN. The finding of high spin polarization on the absorbed BN layer ensures a high degree of passage of the preferred spin and is important in the development of nanoscale devices for spintronics applications.

  9. Thermal transport properties of metal/MoS{sub 2} interfaces from first principles

    SciTech Connect (OSTI)

    Mao, Rui; Kong, Byoung Don; Kim, Ki Wook, E-mail: kwk@ncsu.edu [Department of Electrical and Computer Engineering, North Carolina State University, Raleigh, North Carolina 27695-7911 (United States)

    2014-07-21

    Thermal transport properties at the metal/MoS{sub 2} interfaces are analyzed by using an atomistic phonon transport model based on the Landauer formalism and first-principles calculations. The considered structures include chemisorbed Sc(0001)/MoS{sub 2} and Ru(0001)/MoS{sub 2}, physisorbed Au(111)/MoS{sub 2}, as well as Pd(111)/MoS{sub 2} with intermediate characteristics. Calculated results illustrate a distinctive dependence of thermal transfer on the details of interfacial microstructures. More specifically, the chemisorbed case with a stronger bonding exhibits a generally smaller interfacial thermal resistance than the physisorbed. Comparison between metal/MoS{sub 2} and metal/graphene systems suggests that metal/MoS{sub 2} is significantly more resistive. Further examination of lattice dynamics identifies the presence of multiple distinct atomic planes and bonding patterns at the interface as the key origins of the observed large thermal resistance.

  10. First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces

    SciTech Connect (OSTI)

    Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S.

    2014-10-21

    A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1b? energy level in water. The application to the specific cases of nonpolar (1010 ) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation and the dynamical fluctuations in the interface Zn-O and O-H bond orientations. As a result, these effects contribute up to 0.5 eV.

  11. Low-Level Waste Regulation: Putting Principles Into Practice - 13297 - The Richard S. Hodes, M.D., Honor Lecture Award

    SciTech Connect (OSTI)

    Kennedy, James E.

    2013-07-01

    In carrying out its mission to ensure the safe use of radioactive materials for beneficial civilian purposes while protecting people and the environment, the U.S. Nuclear Regulatory Commission (NRC) adheres to its Principles of Good Regulation. The Principles-Independence, Openness, Efficiency, Clarity, and Reliability-apply to the agency as a whole in its decision-making and to the individual conduct of NRC employees. This paper describes the application of the Principles in a real-life staff activity, a guidance document used in the NRC's low-level radioactive waste (LLW) program, the Concentration Averaging and Encapsulation Branch Technical Position (CA BTP). The staff's process to revise the document, as well as the final content of the document, were influenced by following the Principles. For example, consistent with the Openness Principle, the staff conducted a number of outreach activities and received many comments on three drafts of the document. Stakeholder comments affected the final staff positions in some cases. The revised CA BTP, once implemented, is expected to improve management and disposal of LLW in the United States. Its positions have an improved nexus to health and safety; are more performance-based than previously, thus providing licensees with options for how they achieve the required outcome of protecting an inadvertent human intruder into a disposal facility; and provide for disposal of more sealed radioactive sources, which are a potential threat to national security. (author)

  12. Setting the Renormalization Scale in QCD: The Principle of Maximum Conformality

    SciTech Connect (OSTI)

    Brodsky, Stanley J.; Di Giustino, Leonardo; /SLAC

    2011-08-19

    A key problem in making precise perturbative QCD predictions is the uncertainty in determining the renormalization scale {mu} of the running coupling {alpha}{sub s}({mu}{sup 2}): The purpose of the running coupling in any gauge theory is to sum all terms involving the {beta} function; in fact, when the renormalization scale is set properly, all non-conformal {beta} {ne} 0 terms in a perturbative expansion arising from renormalization are summed into the running coupling. The remaining terms in the perturbative series are then identical to that of a conformal theory; i.e., the corresponding theory with {beta} = 0. The resulting scale-fixed predictions using the 'principle of maximum conformality' (PMC) are independent of the choice of renormalization scheme - a key requirement of renormalization group invariance. The results avoid renormalon resummation and agree with QED scale-setting in the Abelian limit. The PMC is also the theoretical principle underlying the BLM procedure, commensurate scale relations between observables, and the scale-setting method used in lattice gauge theory. The number of active flavors nf in the QCD {beta} function is also correctly determined. We discuss several methods for determining the PMC/BLM scale for QCD processes. We show that a single global PMC scale, valid at leading order, can be derived from basic properties of the perturbative QCD cross section. The elimination of the renormalization scheme ambiguity using the PMC will not only increase the precision of QCD tests, but it will also increase the sensitivity of collider experiments to new physics beyond the Standard Model.

  13. Audit/Investigation Records | Department of Energy

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

    Audit/Investigation Records Audit/Investigation Records This schedule covers records associated with investigations other than those performed by the Office of the Inspector General (OIG). PDF icon Audit/Investigation Records More Documents & Publications Audit/Investigative Records Schedule (Revision 2) ADMINISTRATIVE RECORDS SCHEDULE 18: SECURITY, EMERGENCY PLANNING, AND SAFETY RECORDS ADMINISTRATIVE RECORDS SCHEDULE 23: RECORDS COMMON TO MOST OFFICES

  14. Magnetic Materials at finite Temperatures: thermodynamics and combined spin and molecular dynamics derived from first principles calculations

    SciTech Connect (OSTI)

    Eisenbach, Markus; Perera, Meewanage Dilina N; Landau, David P; Nicholson, Don M; Yin, Junqi; Brown, Greg

    2015-01-01

    We present a unified approach to describe the combined behavior of the atomic and magnetic degrees of freedom in magnetic materials. Using Monte Carlo simulations directly combined with first principles the Curie temperature can be obtained ab initio in good agreement with experimental values. The large scale constrained first principles calculations have been used to construct effective potentials for both the atomic and magnetic degrees of freedom that allow the unified study of influence of phonon-magnon coupling on the thermodynamics and dynamics of magnetic systems. The MC calculations predict the specific heat of iron in near perfect agreement with experimental results from 300K to above Tc and allow the identification of the importance of the magnon-phonon interaction at the phase-transition. Further Molecular Dynamics and Spin Dynamics calculations elucidate the dynamics of this coupling and open the potential for quantitative and predictive descriptions of dynamic structure factors in magnetic materials using first principles derived simulations.

  15. Investigations of Interfacial Structure in Thermoelectric Tellurides...

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

    Investigations of Interfacial Structure in Thermoelectric Tellurides Discusses examples of work on the investigation of atomic structure of interfaces in thermoelectric tellurides ...

  16. Principal Investigators | Photosynthetic Antenna Research Center

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

    Schulten Klaus Schulten Principal Investigator Read more about Klaus Schulten Volker Urban Principal Investigator Read more about Volker Urban Andrew Shreve Andrew Shreve...

  17. Microsecond Microfluidic Mixing for Investigation of Protein...

    Office of Scientific and Technical Information (OSTI)

    for Investigation of Protein Folding Kinetics Citation Details In-Document Search Title: Microsecond Microfluidic Mixing for Investigation of Protein Folding Kinetics You ...

  18. Ultrafast laser diagnostics to investigate initiation fundamentals...

    Office of Scientific and Technical Information (OSTI)

    Ultrafast laser diagnostics to investigate initiation fundamentals in energetic materials. Citation Details In-Document Search Title: Ultrafast laser diagnostics to investigate ...

  19. Investigating Processes of Nanocrystal Formation and Transformation...

    Office of Scientific and Technical Information (OSTI)

    Investigating Processes of Nanocrystal Formation and Transformation via Liquid Cell TEM Citation Details In-Document Search Title: Investigating Processes of Nanocrystal Formation...

  20. Notification of Investigation Battelle Energy Alliance, LLC

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

    The investigation will include an onsite visit and interviews with contractor personnel. A request for documents to support the investigation will be provided separately via ...

  1. Mobility Agreement for Criminal Investigators | Department of...

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

    Mobility Agreement for Criminal Investigators Mobility Agreement for Criminal Investigators PDF icon Mobility Agreement More Documents & Publications Semiannual Report to Congress: ...

  2. Department of Energy Opens Appliance Standards Investigation...

    Energy Savers [EERE]

    Opens Appliance Standards Investigation for Certain Air Con International Air Conditioners and Heat Pumps Department of Energy Opens Appliance Standards Investigation for Certain ...

  3. Why we don`t need quantum planetary dynamics, or on decoherence and the correspondence principle for chaotic systems

    SciTech Connect (OSTI)

    Zurek, W.H. [Los Alamos National Lab., NM (United States); Pas, J.P. [Los Alamos National Lab., NM (United States)]|[Ciudad Universitaria (Argentina). Dept. de Fisica

    1995-08-01

    Violation of correspondence principle may occur for very macroscopic byt isolated quantum systems on rather short timescales as illustrated by the case of Hyperion, the chaotically tumbling moon of Saturn, for which quantum and classical predictions are expected to diverge on a timescale of approximately 20 years. Motivated by Hyperion, we review salient features of ``quantum chaos`` and show that decoherence is the essential ingredient of the classical limit, as it enables one to solve the apparent paradox caused by the breakdown of the correspondence principle for classically chaotic systems.

  4. Proof of principle study of the use of a CMOS active pixel sensor for proton radiography

    SciTech Connect (OSTI)

    Seco, Joao; Depauw, Nicolas

    2011-02-15

    Purpose: Proof of principle study of the use of a CMOS active pixel sensor (APS) in producing proton radiographic images using the proton beam at the Massachusetts General Hospital (MGH). Methods: A CMOS APS, previously tested for use in s-ray radiation therapy applications, was used for proton beam radiographic imaging at the MGH. Two different setups were used as a proof of principle that CMOS can be used as proton imaging device: (i) a pen with two metal screws to assess spatial resolution of the CMOS and (ii) a phantom with lung tissue, bone tissue, and water to assess tissue contrast of the CMOS. The sensor was then traversed by a double scattered monoenergetic proton beam at 117 MeV, and the energy deposition inside the detector was recorded to assess its energy response. Conventional x-ray images with similar setup at voltages of 70 kVp and proton images using commercial Gafchromic EBT 2 and Kodak X-Omat V films were also taken for comparison purposes. Results: Images were successfully acquired and compared to x-ray kVp and proton EBT2/X-Omat film images. The spatial resolution of the CMOS detector image is subjectively comparable to the EBT2 and Kodak X-Omat V film images obtained at the same object-detector distance. X-rays have apparent higher spatial resolution than the CMOS. However, further studies with different commercial films using proton beam irradiation demonstrate that the distance of the detector to the object is important to the amount of proton scatter contributing to the proton image. Proton images obtained with films at different distances from the source indicate that proton scatter significantly affects the CMOS image quality. Conclusion: Proton radiographic images were successfully acquired at MGH using a CMOS active pixel sensor detector. The CMOS demonstrated spatial resolution subjectively comparable to films at the same object-detector distance. Further work will be done in order to establish the spatial and energy resolution of the CMOS detector for protons. The development and use of CMOS in proton radiography could allow in vivo proton range checks, patient setup QA, and real-time tumor tracking.

  5. First principle calculations of effective exchange integrals: Comparison between SR (BS) and MR computational results

    SciTech Connect (OSTI)

    Yamaguchi, Kizashi; Nishihara, Satomichi; Saito, Toru; Yamanaka, Shusuke; Kitagawa, Yasutaka; Kawakami, Takashi; Yamada, Satoru; Isobe, Hiroshi; Okumura, Mitsutaka

    2015-01-22

    First principle calculations of effective exchange integrals (J) in the Heisenberg model for diradical species were performed by both symmetry-adapted (SA) multi-reference (MR) and broken-symmetry (BS) single reference (SR) methods. Mukherjee-type (Mk) state specific (SS) MR coupled-cluster (CC) calculations by the use of natural orbital (NO) references of ROHF, UHF, UDFT and CASSCF solutions were carried out to elucidate J values for di- and poly-radical species. Spin-unrestricted Hartree Fock (UHF) based coupled-cluster (CC) computations were also performed to these species. Comparison between UHF-NO(UNO)-MkMRCC and BS UHF-CC computational results indicated that spin-contamination of UHF-CC solutions still remains at the SD level. In order to eliminate the spin contamination, approximate spin-projection (AP) scheme was applied for UCC, and the AP procedure indeed corrected the error to yield good agreement with MkMRCC in energy. The CC double with spin-unrestricted Brueckner's orbital (UBD) was furthermore employed for these species, showing that spin-contamination involved in UHF solutions is largely suppressed, and therefore AP scheme for UBCCD removed easily the rest of spin-contamination. We also performed spin-unrestricted pure- and hybrid-density functional theory (UDFT) calculations of diradical and polyradical species. Three different computational schemes for total spin angular momentums were examined for the AP correction of the hybrid (H) UDFT. HUDFT calculations followed by AP, HUDFT(AP), yielded the S-T gaps that were qualitatively in good agreement with those of MkMRCCSD, UHF-CC(AP) and UB-CC(AP). Thus a systematic comparison among MkMRCCSD, UCC(AP) UBD(AP) and UDFT(AP) was performed concerning with the first principle calculations of J values in di- and poly-radical species. It was found that BS (AP) methods reproduce MkMRCCSD results, indicating their applicability to large exchange coupled systems.

  6. Monoxides of small terbium clusters: A density functional theory investigation

    SciTech Connect (OSTI)

    Zhang, G. L.; Yuan, H. K. Chen, H.; Kuang, A. L.; Li, Y.; Wang, J. Z.; Chen, J.

    2014-12-28

    To investigate the effect of oxygen atom on the geometrical structures, electronic, and magnetic properties of small terbium clusters, we carried out the first-principles calculations on Tb{sub n}O (n = 1-14) clusters. The capping of an oxygen atom on one trigonal-facet of Tb{sub n} structures is always favored energetically, which can significantly improve the structural stability. The far-infrared vibrational spectroscopies are found to be different from those of corresponding bare clusters, providing a distinct signal to detect the characteristic structures of Tb{sub n}O clusters. The primary effect of oxygen atom on magnetic properties is to change the magnetic orderings among Tb atoms and to reduce small of local magnetic moments of the O-coordinated Tb atoms, both of which serve as the key reasons for the experimental magnetic evolution of an oscillating behavior. These calculations are consistent with, and help to account for, the experimentally observed magnetic properties of monoxide Tb{sub n}O clusters [C. N. Van Dijk et al., J. Appl. Phys. 107, 09B526 (2010)].

  7. Investigations of Interfacial Structure in Thermoelectric Tellurides

    Broader source: Energy.gov [DOE]

    Discusses examples of work on the investigation of atomic structure of interfaces in thermoelectric tellurides

  8. Independent Oversight Investigation, Hanford Site- April 2004

    Office of Energy Efficiency and Renewable Energy (EERE)

    Investigation of Worker Vapor Exposure and Occupational Medicine Program Allegations at the Hanford Site

  9. Investigation Report: I04RL003

    Broader source: Energy.gov [DOE]

    Investigation of Allegations Involving Occupational Medical Services and Tank Farm Vapor Exposures at the Hanford Site

  10. U.S. Department of Energy FreedomCAR & Vehicle Technologies Program Advanced Vehicle Testing Activity, Hydrogen/CNG Blended Fuels Performance Testing in a Ford F-150

    SciTech Connect (OSTI)

    James E. Francfort

    2003-11-01

    Federal regulation requires energy companies and government entities to utilize alternative fuels in their vehicle fleets. To meet this need, several automobile manufacturers are producing compressed natural gas (CNG)-fueled vehicles. In addition, several converters are modifying gasoline-fueled vehicles to operate on both gasoline and CNG (Bifuel). Because of the availability of CNG vehicles, many energy company and government fleets have adopted CNG as their principle alternative fuel for transportation. Meanwhile, recent research has shown that blending hydrogen with CNG (HCNG) can reduce emissions from CNG vehicles. However, blending hydrogen with CNG (and performing no other vehicle modifications) reduces engine power output, due to the lower volumetric energy density of hydrogen in relation to CNG. Arizona Public Service (APS) and the U.S. Department of Energy’s Advanced Vehicle Testing Activity (DOE AVTA) identified the need to determine the magnitude of these effects and their impact on the viability of using HCNG in existing CNG vehicles. To quantify the effects of using various blended fuels, a work plan was designed to test the acceleration, range, and exhaust emissions of a Ford F-150 pickup truck operating on 100% CNG and blends of 15 and 30% HCNG. This report presents the results of this testing conducted during May and June 2003 by Electric Transportation Applications (Task 4.10, DOE AVTA Cooperative Agreement DEFC36- 00ID-13859).

  11. First principle study of structural, electronic and magnetic properties of zigzag boron nitride nanoribbon: Role of vacancies

    SciTech Connect (OSTI)

    Kumar, Arun; Bahadur, Amar; Mishra, Madhukar; Vasudeva, Neena

    2015-05-15

    We study the effect of vacancies on the structural, electronic and magnetic properties of zigzag boron nitride nanoribbon (ZBNNR) by using first principle calculations. We find that the shift of the vacancies with respect to the ribbon edges causes change in the structural geometry, electronic structure and magnetization of ZBNNR. These vacancies also produce band gap modulation and consequently results the magnetization of ZBNNR.

  12. Sustainable development as an organizing principle for US foreign policy: Opportunities and enduring constraints

    SciTech Connect (OSTI)

    Munro, J.F.

    1995-07-01

    The disintegration of the Soviet Union has dramatically changed the international topography. Bipolar international relations have given way to a multipolar world wherein the United States is the only true superpower as gauged by both economic and military might. The decline of the Soviet Union has removed an important stabilizing force in international politics and a critical organizing principle for American Foreign Policy -- namely, the containment of international communism. The Soviet Union`s dismantlement has created opportunities for both cooperation and conflict. It means that increasingly cooperative relations between Russia and the United States have reduced the threat of nuclear war while intensifying regional political instability among present and former allies and former client states. Without the Soviet threat more resources are available to restore the nation`s transportation, communications, and industrial infrastructure, clean up the environment, and to develop technologies that promise to increase US economic competitiveness while minimizing environmental impacts. Internationally, there should be additional resources to promote international economic growth, to preserve natural environments, and to build democratic institutions in developing nations.

  13. Hydrogen and fluorine co-decorated silicene: A first principles study of piezoelectric properties

    SciTech Connect (OSTI)

    Noor-A-Alam, Mohammad; Kim, Hye Jung; Shin, Young-Han

    2015-06-14

    A low-buckled silicene monolayer being centrosymmetric like graphene, in contrast to a piezoelectric hexagonal boron nitride (h-BN), is not intrinsically piezoelectric. However, based on first principles calculations, we show that chemical co-decoration of hydrogen (H) and fluorine (F) on opposite sides of silicene (i.e., one side is decorated with H, while the other one is with F) breaks the centrosymmetry. Redistributing the charge density due to the electronegativity difference between the atoms, non-centrosymmetric co-decoration induces an out-of-plane dipolar polarization and concomitant piezoelectricity into non-piezoelectric silicene monolayer. Our piezoelectric coefficients are comparable with other known two-dimensional piezoelectric materials (e.g., hydrofluorinated graphene/h-BN) and some bulk semiconductors, such as wurtzite GaN and wurtzite BN. Moreover, because of silicene's lower elastic constants compared to graphene or h-BN, piezoelectric strain constants are found significantly larger than those of hydrofluorinated graphene/h-BN. We also predict that a wide range of band gaps with an average of 2.52 eV can be opened in a low-buckled gapless semi-metallic silicene monolayer by co-decoration of H and F atoms on the surface.

  14. Problem-free time-dependent variational principle for open quantum systems

    SciTech Connect (OSTI)

    Joubert-Doriol, Loc; Izmaylov, Artur F.

    2015-04-07

    Methods of quantum nuclear wave-function dynamics have become very efficient in simulating large isolated systems using the time-dependent variational principle (TDVP). However, a straightforward extension of the TDVP to the density matrix framework gives rise to methods that do not conserve the energy in the isolated system limit and the total system population for open systems where only energy exchange with environment is allowed. These problems arise when the system density is in a mixed state and is simulated using an incomplete basis. Thus, the basis set incompleteness, which is inevitable in practical calculations, creates artificial channels for energy and population dissipation. To overcome this unphysical behavior, we have introduced a constrained Lagrangian formulation of TDVP applied to a non-stochastic open system Schrdinger equation [L. Joubert-Doriol, I. G. Ryabinkin, and A. F. Izmaylov, J. Chem. Phys. 141, 234112 (2014)]. While our formulation can be applied to any variational ansatz for the system density matrix, derivation of working equations and numerical assessment is done within the variational multiconfiguration Gaussian approach for a two-dimensional linear vibronic coupling model system interacting with a harmonic bath.

  15. First-principles study on negative thermal expansion of PbTiO{sub 3}

    SciTech Connect (OSTI)

    Wang, Fangfang; Chen, Jun; Xing, Xianran; Xie, Ying; Fu, Honggang

    2013-11-25

    It is well known that perovskite-type PbTiO{sub 3} behaves negative thermal expansion in a wide temperature range from room temperature to Curie temperature (763?K). The present study reports the first-principles study of the anisotropic thermal expansion of PbTiO{sub 3}, in the framework of the density-functional theory and the density-functional perturbation theory. The curve of temperature dependence of the unit cell volume is presented from 20 to 520?K through the calculation of the minimum of total free energy at each temperature point. The negative thermal expansion of PbTiO{sub 3} is calculated without empirical parameters. Furthermore, the distinctive thermodynamic act of PbTiO{sub 3} from expanding to contracting at tetragonal phase is reproduced. The ab-initio calculations reveal that this unique appearance depends on the phonon vibration. The dynamical contributions of various atoms are also calculated to account for the disparate role of Pb-O and Ti-O bond.

  16. Developing Research Capabilities in Energy Biosciences: Design principles of photosynthetic biofuel production.

    SciTech Connect (OSTI)

    Donald D. Brown; David Savage

    2012-06-30

    The current fossil fuel-based energy infrastructure is not sustainable. Solar radiation is a plausible alternative, but realizing it as such will require significant technological advances in the ability to harvest light energy and convert it into suitable fuels. The biological system of photosynthesis can carry out these reactions, and in principle could be engineered using the tools of synthetic biology. One desirable implementation would be to rewire the reactions of a photosynthetic bacterium to direct the energy harvested from solar radiation into the synthesis of the biofuel H2. Proposed here is a series of experiments to lay the basic science groundwork for such an attempt. The goal is to elucidate the transcriptional network of photosynthesis using a novel driver-reporter screen, evolve more robust hydrogenases for improved catalysis, and to test the ability of the photosynthetic machinery to directly produce H2 in vivo. The results of these experiments will have broad implications for the understanding of photosynthesis, enzyme function, and the engineering of biological systems for sustainable energy production. The ultimate impact could be a fundamental transformation of the world's energy economy.

  17. First-principles insights into interaction of CO, NO, and HCN with Ag{sub 8}

    SciTech Connect (OSTI)

    Torbatian, Zahra; Hashemifar, S. Javad, E-mail: hashemifar@cc.iut.ac.ir; Akbarzadeh, Hadi [Department of Physics, Isfahan University of Technology, 84156-83111 Isfahan (Iran, Islamic Republic of)] [Department of Physics, Isfahan University of Technology, 84156-83111 Isfahan (Iran, Islamic Republic of)

    2014-02-28

    We use static as well as time-dependent first-principles computations to study interaction of the CO, NO, and HCN molecules with the Ag{sub 8} nanocluster. The many-body based GW correction is applied for accurate description of the highest occupied (HOMO) and the lowest unoccupied (LUMO) molecular orbital levels. It is argued that the adsorption of these molecules changes the stable structure of Ag{sub 8} from Td to the more chemically active D{sub 2d} symmetry. We discuss that the CO, NO, and HCN molecules prefer to adsorb on the atom of the cluster with significant contribution to both HOMO and LUMO, for the accomplishment of the required charge transfers in the systems. The charge back donation is found to leave an excess energy of about 110 meV on the NO molecular bond, evidencing potential application of silver clusters for NO reduction. It is argued that CO and specially NO exhibit strong physical interaction with the silver cluster and hence significantly modify the electronic and optical properties of the system, while HCN makes very week physical bonds with the cluster. The optical absorption spectra of the Ag{sub 8} cluster before and after molecule adsorption are computed and a nontrivial red shift is observed in the NO and HCN adsorbed clusters.

  18. A method of orbital analysis for large-scale first-principles simulations

    SciTech Connect (OSTI)

    Ohwaki, Tsukuru; Otani, Minoru; Ozaki, Taisuke

    2014-06-28

    An efficient method of calculating the natural bond orbitals (NBOs) based on a truncation of the entire density matrix of a whole system is presented for large-scale density functional theory calculations. The method recovers an orbital picture for O(N) electronic structure methods which directly evaluate the density matrix without using Kohn-Sham orbitals, thus enabling quantitative analysis of chemical reactions in large-scale systems in the language of localized Lewis-type chemical bonds. With the density matrix calculated by either an exact diagonalization or O(N) method, the computational cost is O(1) for the calculation of NBOs associated with a local region where a chemical reaction takes place. As an illustration of the method, we demonstrate how an electronic structure in a local region of interest can be analyzed by NBOs in a large-scale first-principles molecular dynamics simulation for a liquid electrolyte bulk model (propylene carbonate + LiBF{sub 4})

  19. First-principles study of graphene adsorbed on WS{sub 2} monolayer

    SciTech Connect (OSTI)

    Li, Sheng-Shi; Zhang, Chang-Wen

    2013-11-14

    We perform first-principles calculations to study the energetics and electronic properties of graphene adsorbed on WS{sub 2} surface (G/WS{sub 2}). We find that the graphene can be bound to WS{sub 2} monolayer with an interlayer spacing of about 3.9? with a binding energy of ?2132?meV per carbon atom dependent on graphene adsorption arrangement, suggesting a weak interaction between graphene and WS{sub 2}. The nearly linear band dispersion character of graphene can be preserved in G/WS{sub 2} system, with a sizable band gap, depending on graphene stacking patterns on WS{sub 2} and the distance between graphene and WS{sub 2} monolayer. More interestingly, when the interlayer spacing is larger than 3.0?, the energy-gap opening is mainly determined by the distortion of the isolated graphene peeled from WS{sub 2} surface, independent on the WS{sub 2} substrate. Further tight-binding model analysis demonstrates that the origin of semiconducting properties can be well understood by the variation of on-site energy of graphene induced by WS{sub 2} substrate.

  20. Proactive Management of Materials Degradation - A Review of Principles and Programs

    SciTech Connect (OSTI)

    Bond, Leonard J.; Doctor, Steven R.; Taylor, Theodore T.

    2008-08-28

    The U.S. Nuclear Regulatory Commission (NRC) has undertaken a program to lay the technical foundation for defining proactive actions so that future degradation of materials in light water reactors (LWRs) is limited and, thereby, does not diminish either the integrity of important LWR components or the safety of operating plants. This technical letter report was prepared by staff at Pacific Northwest National Laboratory in support of the NRC Proactive Management of Materials Degradation (PMMD) program and relies heavily on work that was completed by Dr. Joseph Muscara and documented in NUREG/CR-6923. This report concisely explains the basic principles of PMMD and its relationship to prognostics, provides a review of programs related to PMMD being conducted worldwide, and provides an assessment of the technical gaps in PMMD and prognostics that need to be addressed. This technical letter report is timely because the majority of the U.S. reactor fleet is applying for license renewal, and many plants are also applying for increases in power rating. Both of these changes could increase the likelihood of materials degradation and underline, therefore, the interest in proactive management in the future.