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Sample records for avta principle investigator

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

    Office of Environmental Management (EM)

    AVTA - Evaluating National Parks and Forest Service Fleets for Plug-in Electric Vehicles Vehicle Technologies Office: AVTA - Evaluating National Parks and Forest Service Fleets for ...

  2. 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

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

    Energy Saver

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

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

    Energy Saver

    Charging Equipment (EVSE) Testing Data Vehicle Technologies Office: AVTA - Electric Vehicle Charging Equipment (EVSE) Testing Data Electric vehicle chargers (otherwise known as ...

  5. 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 ...

  6. AVTA: Bidirectional Fast Charging Report

    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 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.

  7. 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 ...

  8. 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

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    and Results | Department of Energy Advanced 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

  10. AVTA: 2012 Chevrolet Volt PHEV Downloadable Dynamometer Database...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Chevrolet Volt PHEV Downloadable Dynamometer Database Reports AVTA: 2012 Chevrolet Volt PHEV Downloadable Dynamometer Database Reports The Vehicle Technologies Office's Advanced ...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Toyota Prius PHEV Downloadable Dynamometer Database Reports AVTA: 2012 Toyota Prius PHEV Downloadable Dynamometer Database Reports The Vehicle Technologies Office's Advanced ...

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

    Energy Saver

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

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

    Energy Saver

    Full-Size Electric Vehicle Specifications and Test Procedures AVTA: Full-Size Electric Vehicle Specifications and Test Procedures EV America Test Specifications (97.12 KB) ...

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

    Energy Saver

    Battery Testing Data Vehicle Technologies Office: AVTA - Battery Testing Data For plug-in electric vehicles to achieve widespread market adoption, vehicle batteries must have ...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Urban Electric Vehicle Specifications and Test Procedures AVTA: Urban Electric Vehicle Specifications and Test Procedures UEVAmerica Specifications (252.08 KB) ETA-UTP001 ...

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

    Energy.gov [DOE] (indexed site)

    Delivery Vehicles (4.63 MB) More Documents & Publications Vehicle Technologies Office - AVTA: Hybrid-Electric Tractor Vehicles Medium and Heavy-Duty Vehicle Field Evaluations ...

  17. 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 ...

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

    Office of Environmental Management (EM)

    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 ...

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

    Energy.gov [DOE] (indexed site)

    Coca-Cola Refreshments Class 8 Diesel Electric Hybrid Tractor Evaluation (1.99 MB) More Documents & Publications Vehicle Technologies Office - AVTA: Hybrid-Electric Delivery ...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Nissan Leaf All-Electric Vehicle Testing Reports AVTA: 2012 Nissan Leaf All-Electric Vehicle Testing Reports The Vehicle Technologies Office's Advanced Vehicle Testing Activity ...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    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 ...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Incidents in Plug-in Electric Vehicles (EV) | Department of Energy AVTA: 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

  3. Vehicle Technologies Office: AVTA - Medium and Heavy Duty Vehicle Data

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    and Results | Department of Energy Medium and Heavy Duty Vehicle Data and Results Vehicle Technologies Office: AVTA - Medium and Heavy Duty Vehicle Data and Results 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 Laboratory and the National Renewable Energy Laboratory (NREL) test and evaluate medium and heavy-duty fleet vehicles that use hybrid

  4. Vehicle Technologies Office: AVTA - Evaluating Military Bases and Fleet

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Readiness for Electric Vehicles | Department of Energy Military Bases and Fleet Readiness for Electric Vehicles Vehicle Technologies Office: AVTA - Evaluating Military Bases and Fleet Readiness for Electric Vehicles 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

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Service Fleets for Plug-in Electric Vehicles | Department of Energy National Parks and Forest Service Fleets for Plug-in Electric Vehicles Vehicle Technologies Office: AVTA - Evaluating National Parks and Forest Service Fleets for Plug-in Electric Vehicles 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

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

    Office of Scientific and Technical Information (OSTI)

    Bias on Graphene-Based Nanoribbons Citation Details In-Document Search Title: First-Principles Investigation of Nanopore Sequencing Using Variable Voltage Bias on Graphene-Based ...

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

    Office of Energy Efficiency and Renewable Energy (EERE)

    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.

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

    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.

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

    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.

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

    Energy Saver

    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

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

    Energy Saver

    Procedures | Department of Energy Hydrogen Internal Combustion Engine Vehicle Specifications and Test Procedures AVTA: Hydrogen Internal Combustion Engine Vehicle Specifications and Test Procedures HICEV Technical Specifications (127.53 KB) HICEV America Test Sequence (71.27 KB) ETA-HITP01 Implementation of SAE Standard J1263 - Road Load Measurements and Dynamometer Simulation Using Coast Down Techniques (114.28 KB) ETA-HITP02 Implementation of SAE Standard J1666 May93 - HICE Vehicle

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

    Energy Saver

    Department of Energy Neighborhood Electric Vehicle Specifications and Test Procedures AVTA: Neighborhood Electric Vehicle Specifications and Test Procedures NEVAmerica Technical Specifications (135.99 KB) NEVAmerica Test Sequence (66.19 KB) ETA-NTP002 Implementation of SAE Standard J1666 May 93 - Electric Vehicle Acceleration, Gradeability, and Deceleration Test Procedure (334.01 KB) ETA-NTP004 Electric Vehicle Constant Speed Range Test (138.66 KB) ETA-NTP005 Electric Vehicle Rough Road

  13. AVTA: Oil Bypass Filter Specifications and Test Procedures | Department of

    Energy Saver

    Energy Oil Bypass Filter Specifications and Test Procedures AVTA: Oil Bypass Filter Specifications and Test Procedures 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. PuraDYN Oil Bypass Filtration System Evaluation Test Plan (732.1 KB) More Documents & Publications Demonstrated Petroleum Reduction Using Oil Bypass Filter Technology on Heavy and Light Vehicles Effects of

  14. AVTA: Transit Vehicle Specifications and Test Procedures | Department of

    Energy Saver

    Energy Transit Vehicle Specifications and Test Procedures AVTA: Transit Vehicle Specifications and Test Procedures 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

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

    Energy Saver

    Department of Energy Urban Electric Vehicle Specifications and Test Procedures AVTA: Urban Electric Vehicle Specifications and Test Procedures UEVAmerica Specifications (252.08 KB) ETA-UTP001 Implementation of SAE Standard J1263, Feb. 1996 - Road Load Measurement and Dynamometer Simulation Using Coastdown Techniques (50.53 KB) ETA-UTP002 Implementation of SAE Standard J1666, May 1993 - Electric Vehicle Acceleration, Gradeability, and Deceleration Test Procedure (65.68 KB) ETA-UTP003

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    (EVSE) Testing Data | Department of Energy Charging Equipment (EVSE) Testing Data Vehicle Technologies Office: AVTA - Electric Vehicle Charging Equipment (EVSE) Testing Data Electric vehicle chargers (otherwise known as Electric Vehicle Supply Equipment - EVSE) are a fundamental part of the plug-in electric vehicle system. Currently, there are three major types of EVSE: AC Level 1, AC Level 2, and DC Fast Charging. For an overview of the types of EVSE, see the Alternative Fuel Data Center's

  17. Vehicle Technologies Office - AVTA: All Electric Delivery Trucks |

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Department of Energy Delivery Trucks Vehicle Technologies Office - AVTA: All Electric Delivery Trucks 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 (part of the medium and heavy-duty

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Conversions | Department of Energy USPS Long Life Vehicle Conversions Vehicle Technologies Office - AVTA: All Electric USPS Long Life Vehicle Conversions 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

  19. Vehicle Technologies Office - AVTA: Hybrid-Electric Delivery Vehicles |

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Department of Energy Delivery Vehicles Vehicle Technologies Office - AVTA: Hybrid-Electric Delivery Vehicles 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 (part of the medium and

  20. Vehicle Technologies Office - AVTA: Hybrid-Electric Tractor Vehicles |

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Department of Energy Tractor Vehicles Vehicle Technologies Office - AVTA: Hybrid-Electric Tractor Vehicles 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 (part of the medium and

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Reports on Plug-in Electric Vehicle Readiness at 3 DOD Facilities AVTA: Reports on Plug-in Electric Vehicle Readiness at 3 DOD Facilities The Vehicle Technologies Office's Advanced ...

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

    Energy Saver

    Department of Energy Hybrid Electric Vehicle Specifications and Test Procedures AVTA: Hybrid Electric Vehicle Specifications and Test Procedures Fleet Test and Evaluation Procedure (231.85 KB) HEVAmerica Technical Specifications (164.3 KB) HEV Baseline Test Sequence (46.65 KB) HEV End of Life Test Sequence (29.89 KB) ETA-HTP01 Implementation of SAE Standard J1263 February 1996 - Road Load Measurement and Dynamometer Simulation Using Coastdown Techniques (118.71 KB) ETA-HTP02 Implementation

  3. AVTA: PHEV Demand and Energy Cost Demonstration Report

    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 a demonstration with Tacoma Power on plug-in hybrid electric vehicle demand and energy cost, as informed by the AVTA's testing on plug-in electric vehicle charging equipment. This research was conducted by Idaho National Laboratory.

  4. AVTA: Vehicle to EVSE Smart Grid Communications Report

    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 following report describes results from research and testing on vehicle to EVSE smart grid communications interfaces, as informed by the AVTA's testing on plug-in electric vehicle charging equipment. This research was conducted by Idaho National Laboratory.

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

    Energy Saver

    Department of Energy Plug-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 DRAFT - Integrated Test Plan and Evaluation Program for Review for Plug-in Hybrid Electric Vehicles (PHEVs) (2.33 MB) More Documents & Publications AVTA: Hybrid Electric Vehicle Specifications and Test Procedures Vehicle Technologies Office: 2010 Vehicle and Systems Simulation and Testing

  6. First-Principle Investigation of Oxygen Defects in Metal/Oxide...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    First-Principle Investigation of Oxygen Defects in MetalOxideMetal Heterostructures: Structure, Energetics, and Transport in the Quantum Regime PI Name: Olle Heinonen PI Email: ...

  7. First-principles investigation of Nitrosyl formation in zirconia

    SciTech Connect

    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.

  8. First Principles Investigations of Adsorbate-Metal Interactions...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Investigations of Adsorbate-Metal Interactions: Quantum Monte Carlo and Ab Initio ... New Quantum Monte Carlo and ab-initio molecular dynamics-based approaches will be used to ...

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

    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.

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

    Office of Energy Efficiency and Renewable Energy (EERE)

    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.

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

    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.

  12. 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

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

    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.

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

    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 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.

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

    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.

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

    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.

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

    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.

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

  20. First-principles investigations on ionization and thermal conductivity of polystyrene for inertial confinement fusion applications

    DOE PAGES [OSTI]

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

    2016-04-14

    Using quantum molecular-dynamics (QMD) methods based on the density functional theory, we have performed first-principles investigations on the ionization and thermal conductivity of polystyrene (CH) over a wide range of plasma conditions (ρ = 0.5 to 100 g/cm3 and T = 15,625 to 500,000 K). The ionization data from orbital-free molecular-dynamics calculations have been fitted with a “Saha-type” model as a function of the CH plasma density and temperature, which exhibits the correct behaviors of continuum lowering and pressure ionization. The thermal conductivities (κQMD) of CH, derived directly from the Kohn–Sham molecular-dynamics calculations, are then analytically fitted with a generalizedmore » Coulomb logarithm [(lnΛ)QMD] over a wide range of plasma conditions. When compared with the traditional ionization and thermal conductivity models used in radiation–hydrodynamics codes for inertial confinement fusion simulations, the QMD results show a large difference in the low-temperature regime in which strong coupling and electron degeneracy play an essential role in determining plasma properties. Furthermore, hydrodynamic simulations of cryogenic deuterium–tritium targets with CH ablators on OMEGA and the National Ignition Facility using the QMD-derived ionization and thermal conductivity of CH have predicted –20% variation in target performance in terms of hot-spot pressure and neutron yield (gain) with respect to traditional model simulations.« less

  1. AVTA- ARRA

    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.

  2. Laboratory {open_quotes}proof of principle{close_quotes} investigation for the acoustically enhanced remediation technology

    SciTech Connect

    Iovenitti, J.L.; Spencer, J.W. Jr.; Hill, D.G.

    1995-10-01

    Weiss Associates is conducting a three phase program investigating the systematics of using acoustic excitation fields (AEFs) to enhance the in-situ remediation of contaminated soil and ground water under both saturated and unsaturated conditions: Phase I - Laboratory Scale Parametric Investigation; Phase II - Technology Scaling Study; and Phase III - Large Scale Field Tests. Phase I, the subject of this paper, consisted primarily of a laboratory proof of principle investigation. The field deployment and engineering viability of acoustically enhanced remediation (AER) technology was also examined. Phase II is a technology scaling study addressing the scale up between laboratory size samples on the order of inches, and the data required for field scale testing, on the order of hundreds of feet. Phase III will consist of field scale testing at an non-industrialized, non-contaminated site and at a contaminated site to validate the technology. Summarized herein are the results of the Phase I {open_quotes}proof-of-principle{close_quotes} investigation, and recommendations for Phase H. A general overview of AER technology along with the plan for the Phase I investigation was presented.

  3. 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 ...

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

  6. First principles DFT investigation of yttrium-decorated boron-nitride nanotube: Electronic structure and hydrogen storage

    SciTech Connect

    Jain, Richa Naja; Chakraborty, Brahmananda; Ramaniah, Lavanya M.

    2015-06-24

    The electronic structure and hydrogen storage capability of Yttrium-doped BNNTs has been theoretically investigated using first principles density functional theory (DFT). Yttrium atom prefers the hollow site in the center of the hexagonal ring with a binding energy of 0.8048eV. Decorating by Y makes the system half-metallic and magnetic with a magnetic moment of 1.0µ{sub B}. Y decorated Boron-Nitride (8,0) nanotube can adsorb up to five hydrogen molecules whose average binding energy is computed as 0.5044eV. All the hydrogen molecules are adsorbed with an average desorption temperature of 644.708 K. Taking that the Y atoms can be placed only in alternate hexagons, the implied wt% comes out to be 5.31%, a relatively acceptable value for hydrogen storage materials. Thus, this system can serve as potential hydrogen storage medium.

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

  12. Central Plateau Inner Area Cleanup Principles

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Inner Area Cleanup Principles * Cleanup Principles are the initial conditions and approaches to developing cleanup decisions in the Inner Area * These Principles will guide the development of the Remedial Investigations and Feasibility Studies (RI/FS) * These Principles will help DOE produce RI/FS documents to better meet regulator expectations * Formal agreement on cleanup, as influenced by these Principles, does not happen until the Record of Decision What are Cleanup Principles? 2 * The Inner

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

    SciTech Connect

    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.

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

    DOE PAGES [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-?, 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

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

    DOE PAGES [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. Themore » compositions of the compounds from these highly driven liquids can be far from equilibrium.« less

  16. Capacitive charge storage at an electrified interface investigated via direct first-principles simulations [Direct Simulation of Capacitive Charging of Graphene and Implications for Supercapacitor Design

    DOE PAGES [OSTI]

    Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen; Otani, Minoru; Wood, Brandon C.

    2015-03-11

    Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic “quantum capacitance” of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulatingmore » charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Lastly, our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.« less

  17. Capacitive charge storage at an electrified interface investigated via direct first-principles simulations [Direct Simulation of Capacitive Charging of Graphene and Implications for Supercapacitor Design

    SciTech Connect

    Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen; Otani, Minoru; Wood, Brandon C.

    2015-03-11

    Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic “quantum capacitance” of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulating charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Lastly, our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

  20. First-principles investigation of the vacancy effect on the electronic properties in M{sub 2}AlC(M = V and Nb)

    SciTech Connect

    Kun, Liu Yuan, Qi; Ji-Zheng, Duan

    2014-10-15

    First principles calculations have been performed to study the mono-vacancy formation energies and electronic properties of M{sub 2}AlC (M = V and Nb) compound. The results show that the M mono-vacancy has a maximum formation energy. While the C mono-vacancy has a minimum formation energy, which means that the C mono-vacancy is the energetically most favorable in M{sub 2}AlC. The d-electrons of M element contribute most to the DOS of M{sub 2}AlC around the Fermi level, it implies that the conductivity of M{sub 2}AlC comes from the transition metal M. The M-C bond is stronger than the M-Al bond, which is caused by the strong hybridization energy peak between M and C atom. In addition, the M-C bond is weaken in the presence of the M or C mono-vacancy. The cell volumes are reduced when the mono-vacancy is formed. These results help us to understand the origin of the defect-related properties and phase stability of V{sub 2}AlC and Nb{sub 2}AlC under extreme environment.

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

    SciTech Connect

    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

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

  4. 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

    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.

  5. AVTA: Chrysler RAM PHEV Pickups

    Energy.gov [DOE]

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

  6. AVTA Vehicle Component Cost Model

    Energy.gov [DOE]

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

  7. AVTA: ARRA EV Project Overview

    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.

  8. Inner Area Principles

    U.S. Department of Energy (DOE) - all 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

  9. Suspensions: Basic principles

    SciTech Connect

    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.

  10. Mach's holographic principle

    SciTech Connect

    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.

  11. GENERAL PRINCIPLES OF AGREEMENT

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    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. HWB-14- 20

  12. ADR Principles of Conduct

    Energy.gov [DOE]

    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.

  13. Energy Literacy Essential Principle #1

    SciTech Connect

    2014-12-02

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

  14. Energy Literacy Essential Principle #5

    SciTech Connect

    2015-03-11

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

  15. Energy Literacy Essential Principle #3

    SciTech Connect

    2014-12-02

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

  16. Underlying Quality Principles

    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.

  17. Energy Literacy Essential Principle #7

    SciTech Connect

    2015-03-11

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

  18. Energy Literacy Essential Principle #6

    SciTech Connect

    2015-03-12

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

  19. Energy Literacy Essential Principle #2

    SciTech Connect

    2014-12-02

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

  20. 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

    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.

  1. Dynamical principles in neuroscience

    SciTech Connect

    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?.

  2. 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 ...

  3. Institutional Change Principles for Fostering Sustainability...

    Office of Environmental Management (EM)

    Principles for Fostering Sustainability Institutional Change Principles for Fostering Sustainability The following eight principles serve as the foundational building blocks for ...

  4. 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 ...

  5. Lighting Principles and Terms | Department of Energy

    Energy Saver

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

  6. Principle Power | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

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

  7. Energy Literacy Essential Principle #4

    SciTech Connect

    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.

  8. 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 ...

  9. Microsoft Word - Approved EERE-National Laboratory Guiding Principles...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    These core principles, operating principles, and implementation strategies define and ......... i Core Principles ......

  10. AVTA: ARRA EV Project Annual Infrastructure Reports

    Office of Energy Efficiency and Renewable Energy (EERE)

    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.

  11. AVTA: 2010 Quantum Escape PHEV Testing Results

    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.

  12. AVTA: Hasdec DC Fast Charging Testing Results

    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 Hasdec DC fast charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory.

  13. AVTA: 2013 Toyota Prius PHEV Testing Results

    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 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.

  14. AVTA … PHEV Demonstrations and Testing

    Office of Energy Efficiency and Renewable Energy (EERE)

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

  15. AVTA: 2013 Chevrolet Malibu HEV Testing Results

    Office of Energy Efficiency and Renewable Energy (EERE)

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

  16. AVTA: 2010 Ford Fusion HEV Testing Results

    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 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.

  17. AVTA: 2011 Honda CRZ HEV Testing Results

    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 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.

  18. AVTA: 2010 Honda Insight HEV Testing Results

    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 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.

  19. AVTA: 2013 Honda Civic HEV Testing Results

    Office of Energy Efficiency and Renewable Energy (EERE)

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

  20. AVTA: 2011 Chevrolet Volt Testing Results

    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 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.

  1. AVTA: 2013 Chevrolet Volt Testing Results

    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 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.

  2. AVTA: 2011 Hyundai Sonata HEV Testing Results

    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 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: 2010 Mercedes Benz HEV Testing Results

    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 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.

  4. AVTA: 2012 CNG Honda Civic Testing Results

    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 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.

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

    Energy.gov [DOE] (indexed site)

    project of electric drive vehicles and charging infrastructure ever, the VTO-supported EV Project wrote a number of white papers on plug-in electric vehicle community readiness. ...

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

    Energy.gov [DOE] (indexed site)

    military to evaluate readiness for plug-in electric vehicles. Electric Vehicle Preparedness: Assessment of Data and Survey Results for Join Base Lewis McChord (1.17 MB) Electric ...

  7. AVTA: ARRA EV Project Overview Reports

    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.

  8. AVTA: The EV Project | Department of Energy

    Energy.gov [DOE] (indexed site)

    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. ...

  9. AVTA: ARRA EV Project Vehicle Placement Maps

    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 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.

  10. Multiple Motivations Institutional Change Principle

    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...

  11. 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...

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

    Office of Scientific and Technical Information (OSTI)

    Authors: Mao, Pingli, E-mail: pinglimao@yahoo.com ; Yu, Bo ; Liu, Zheng ; Wang, Feng ; Ju, Yang 1 + Show Author Affiliations School of Materials Science and Engineering, Shenyang ...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

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

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

    Energy Saver

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

  15. 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 ...

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

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

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

  17. Pauli Principle and Pion Scattering

    DOE R&D Accomplishments

    Bethe, H. A.

    1972-10-01

    It is pointed out that if the Pauli principle is taken into account in the discussion of pion scattering by complex nuclei (as it ought, of course, to be) some rather implausible consequences of some earlier treatments of this problem can be avoided. (auth)

  18. American Evaluation Association Guiding Principles for Evaluators

    SciTech Connect

    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.

  19. 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

  20. 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. Implementation Guidebook (April 2011) (7.11 MB) More Documents & Publications Unveiling the

  1. Management Principles for Nonproliferation Organizations

    SciTech Connect

    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

  2. Fundamental base closure environmental principles

    SciTech Connect

    Yim, R.A.

    1994-12-31

    Military base closures present a paradox. The rate, scale and timing of military base closures is historically unique. However, each base itself typically does not present unique problems. Thus, the challenge is to design innovative solutions to base redevelopment and remediation issues, while simultaneously adopting common, streamlined or pre-approved strategies to shared problems. The author presents six environmental principles that are fundamental to base closure. They are: remediation not clean up; remediation will impact reuse; reuse will impact remediation; remediation and reuse must be coordinated; environmental contamination must be evaluated as any other initial physical constraint on development, not as an overlay after plans are created; and remediation will impact development, financing and marketability.

  3. 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

  4. Sustainable Federal Buildings 2016 Guiding Principles

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Sustainable Federal Buildings 2016 Guiding Principles 1  Executive Order 13693 section 3(h)(ii) states that agencies will identify "...a percentage of at least 15 percent, by number or total square footage," of their "existing buildings above 5,000 gross square feet (GSF) that will, by fiscal year 2025, comply with the revised Guiding Principles for Federal Leadership in...Sustainable Buildings (Guiding Principles)...and making annual progress toward 100 percent conformance

  5. Guiding Principles for Sustainable Federal Buildings | Department...

    Energy.gov [DOE] (indexed site)

    Federal Energy Management Program (FEMP) provides guidance to help agencies comply with ... and the updated 2016 Guiding Principles, FEMP developed two crosswalk guidance documents ...

  6. Social Network and Communications Institutional Change Principle...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    The following case studies demonstrate successful applications of the social network and communications principle by federal agencies. Data, Feedback, and Awareness Lead to Big ...

  7. Continuous Change Institutional Change Principle | Department...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    ...itutional-Behavioral Dimension. Applications The following case studies demonstrate successful applications of the continuous change principle. Driving Operation Changes through an ...

  8. Principle Power Inc | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    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...

  9. Lighting Principles and Terms | Department of Energy

    Energy.gov [DOE] (indexed site)

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

  10. Eugene Wigner and Fundamental Symmetry Principles

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Eugene Wigner and Fundamental Symmetry Principles Patents * Resources with Additional ... Absorption of Thermal Neutrons in Uranium, DOE Technical Report, September 26, 1941 ...

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

    Office of Scientific and Technical Information (OSTI)

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

  12. Lighting Principles and Terms | Department of Energy

    Office of Environmental Management (EM)

    by lumens, not watts. To choose the best energy-efficient lighting options for your home, you should understand basic lighting principles and terms. Light Quantity...

  13. Design Principles for Materials with Magnetic Functionality

    SciTech Connect

    Thompson, Joe David

    2015-11-05

    This report describes the processes involved with refining and testing design principles of high density, magnetic materials and while observing their magnetic functionality.

  14. 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

  15. 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

  16. Photovoltaics: Basic Design Principles and Components

    SciTech Connect

    1997-03-01

    This publication will introduce you to the basic design principles and components of PV systems. It will also help you discuss these systems knowledgeably with an equipment supplier or system installer.

  17. Institutional Change Principles for Fostering Sustainability

    Office of Energy Efficiency and Renewable Energy (EERE)

    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...

  18. Principle Energy Limited | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    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...

  19. Essential Principles of Energy Videos Teacher Guide

    Energy Saver

    ... Principle 3: Biological processes depend on energy flow through the Earth system. Discuss how food chains relate to the sun. Connect the importance of energy from the sun to human ...

  20. 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

  1. General Investigator

    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...

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

    SciTech Connect

    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.

  3. Investigations Memorandum

    Energy.gov [DOE]

    Investigation of Allegations Involving False Statements and False Claims at the Yucca Mountain Project

  4. 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...

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

    U.S. Department of Energy (DOE) - all 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.

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

    Office of Scientific and Technical Information (OSTI)

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

  7. A Principled Approach to HPC Event Monitoring. (Conference) ...

    Office of Scientific and Technical Information (OSTI)

    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, ...

  8. Weston-Principles of Decoupling Florida. August 2008 | Department...

    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 ...

  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. 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

  11. Testing the copernican principle via cosmological observations

    SciTech Connect

    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.

  12. Derivation of GFDM Based on OFDM Principles

    SciTech Connect

    Hussein Moradi; Behrouz Farhang-Boroujeny

    2015-06-01

    This paper starts with discussing the principle based on which the celebrated orthogonal frequency division multiplexing (OFDM) signals are constructed. It then extends the same principle to construct the newly introduced generalized frequency division multiplexing (GFDM) signals. This novel derivation sheds light on some interesting properties of GFDM. In particular, our derivation seamlessly leads to an implementation of GFDM transmitter which has significantly lower complexity than what has been reported so far. Our derivation also facilitates a trivial understanding of how GFDM (similar to OFDM) can be applied in MIMO channels.

  13. Action principle for Coulomb collisions in plasmas

    DOE PAGES [OSTI]

    Hirvijoki, Eero

    2016-09-14

    In this study, an action principle for Coulomb collisions in plasmas is proposed. Although no natural Lagrangian exists for the Landau-Fokker-Planck equation, an Eulerian variational formulation is found considering the system of partial differential equations that couple the distribution function and the Rosenbluth-MacDonald-Judd potentials. Conservation laws are derived after generalizing the energy-momentum stress tensor for second order Lagrangians and, in the case of a test-particle population in a given plasma background, the action principle is shown to correspond to the Langevin equation for individual particles.

  14. Social Network and Communications Institutional Change Principle

    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. National Laboratory Impact Initiative Guiding Principles

    Energy.gov [DOE]

    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 environmental challenges facing the United States in the 21st century.

  16. State Policies to Encourage Green Building Principles

    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.

  17. 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. Guiding Principles for Evaluators (204.88 KB) More Documents & Publications ORSSAB

  18. 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 ...

  19. AVTA: ChargePoint America Recovery Act Charging Infrastructure Reports

    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.

  20. AVTA: 2014 Chevrolet Cruze Diesel Vehicle Testing 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. ...

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

    Energy.gov [DOE] (indexed site)

    of Documentation (76.84 KB) ETA-GAC002 Control of Test Conduct (124.65 KB) ETA-GAC003 Preparation and Issuance of Test Reports (55.86 KB) ETA-GAC004 Review of Test Results ...

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

    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 Aerovironment AC Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory.

  3. AVTA: SPX AC Level 2 Charging System Testing Results

    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 SPX Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory.

  4. AVTA: Schneider AC Level 2 Charging System Testing Results

    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 Schneider Electric Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory.

  5. AVTA: Leviton AC Level 2 Charging System Testing Results

    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 Leviton Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory.

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

    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 ClipperCreek AC Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory.

  7. AVTA: GE Smart Grid Capable AC Level 2 Testing Results

    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. ...

  8. AVTA: 2009 Vantage Neighborhood Electric Vehicle Testing Results

    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.

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

    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. ...

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

    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: 2009 Volkswagen Jetta TDI Diesel Downloadable Dynamometer Database Reports

    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: Airport Ground Support Equipment Specifications and Test Procedures |

    Energy Saver

    Energy Information Administration's Information Technology Program DOE-OIG-16-04 November 2015 U.S. Department of Energy Office of Inspector General Office of Audits and Inspections Department of Energy Washington, DC 20585 November 17, 2015 MEMORANDUM FOR THE SECRETARY FROM: Rickey R. Hass Acting Inspector General SUBJECT: INFORMATION: Audit Report: "The Energy Information Administration's Information Technology Program" BACKGROUND The Energy Information Administration (EIA) is a

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

    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 Blink AC Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory.

  14. AVTA: PLUGLESS Level 2 Wireless Charging Testing Results

    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 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.

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Vehicle Testing Reports DC Fast Charge Impacts on Battery Life and Vehicle Performance INL Efficiency and Security Testing of EVSE, DC Fast Chargers, and Wireless Charging Systems

  16. Tacomo Power/AVTA PHEV Demand and Energy Cost Demonstration ...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    ......... 6 2.5.3 Wireless Mesh Node Locations ... of Plug-In Hybrid Electric Vehicle Charging on Facility Demand ......

  17. AVTA: 2013 BRP Neighborhood Electric Vehicle Testing Results

    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.

  18. AVTA: 2013 Ford Fusion Energi PHEV Testing Results

    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. ...

  19. AVTA: Eaton AC Level 2 Charging System Testing Results

    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 Eaton AC Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory.

  20. AVTA: 2013 Volkswagon Jetta TDI Diesel Testing Results

    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 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: 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. ...

  2. 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. ...

  3. AVTA: ARRA EV Project Electric Grid Impact Report

    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.

  4. 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.

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

    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.

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

    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.

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

    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 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.

  8. AVTA: ARRA EV Project Public Charging Infrastructure Maps

    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.

  9. AVTA: ARRA EV Project Residential Charging Infrastructure Maps

    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.

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

    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 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.

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

    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....

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

    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: 2010 Toyota Prius Gen III HEV Testing Results

    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 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.

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

    Office of Energy Efficiency and Renewable Energy (EERE)

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

  15. AVTA: 2011 Nissan Leaf All-Electric Vehicle Testing 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 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.

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

    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 HEV, NEV, BEV and HICEV Demonstrations and Testing

    Energy.gov [DOE]

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

  18. AVTA: Plug-In Hybrid Electric School Buses

    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 several plug-in hybrid electric school buses in locations in three different states. This research was conducted by the National Renewable Energy Laboratory (NREL).

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

    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.

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    use hybrid electric, plug-in electric, hydraulic hybrid, and alternative fuel technologies. ... help fleet managers better understand their options for purchasing and using vehicles. ...

  1. AVTA: Chevrolet Volt ARRA Vehicle Demonstration Project Data

    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.

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

    Energy.gov [DOE] (indexed site)

    (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 ...

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

    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.

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

    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.

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

    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.

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

    Energy.gov [DOE] (indexed site)

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

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

    Energy.gov [DOE] (indexed site)

    NEVAmerica Technical Specifications (135.99 KB) NEVAmerica Test Sequence (66.19 KB) ETA-NTP002 Implementation of SAE Standard J1666 May 93 - Electric Vehicle Acceleration, ...

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

    Energy.gov [DOE] (indexed site)

    (118.71 KB) ETA-HTP02 Implementation of SAE Standard J1666 May 1993 - Hybrid Electric Vehicle Acceleration, Gradeability, and Deceleration Test Procedure (230.69 KB) ETA-HTP03 ...

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

    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.

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

    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.

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

    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: EVSE Testing- NYSERDA Electric Vehicle Charging Infrastructure Reports

    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.

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

    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.

  14. AVTA: ChargePoint America Recovery Act Charging Infrastructure...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    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. ...

  15. Accident Investigations

    Directives, Delegations, and Other 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.

  16. Investigator Award

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    computational scientist wins 2016 Carcinogenesis Young Investigator Award July 11, 2016 LOS ALAMOS, N.M., July 11, 2016-Ludmil Alexandrov, of Los Alamos National Laboratory's Theoretical Biology and Biophysics group, is the winner of the 2016 Carcinogenesis Young Investigator Award. Given biennially by the journal Carcinogenesis: Integrative Cancer Research, published by Oxford University Press, and the European Association for Cancer Research, the award recognizes a recent significant

  17. An uncertainty principle for unimodular quantum groups

    SciTech Connect

    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.

  18. First principle thousand atom quantum dot calculations

    SciTech Connect

    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.

  19. Accident Investigations

    Directives, Delegations, and Other 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

  20. Accident Investigations

    Directives, Delegations, and Other 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

  1. Program Evaluation: Purpose and Principles of Peer Reviews |...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Peer reviews have a clear purpose and core principles. Purpose Peer review is essential to ... Core Principles for EERE In-Progress Peer Review Managers and staff in EERE will provide ...

  2. CEQ Issues 2016 Guiding Principles for Sustainable Federal Buildings

    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.

  3. 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 Citation Details In-Document Search Title: First-principles calculations of phonons and Raman ...

  4. 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

  5. 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 Citation Details In-Document Search Title: First-principles studies of hydrogen ...

  6. Principles of isotope geology. Second edition

    SciTech Connect

    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. SUSTAINABILITY NEWS CEQ Issues Revised Guiding Principles for Sustainable

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    CEQ Issues Revised Guiding Principles for Sustainable Federal Buildings The White House Council on Environmental Quality (CEQ) has issued revisions to the Guiding Principles for Sustainable Federal Buildings (Guiding Principles) per Executive Order (E.O.) 13693, Planning for Federal Sustainability for the Next Decade. The new Guiding Principles updates and replaces the High Performance and Sustainable Buildings Guidance issued by CEQ in December 2008. These guidelines outline the new

  8. The Use of Ecological Restoration Principles To Achieve Remedy Protection

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    at the Fernald Preserve and Weldon Spring Sites | Department of Energy The Use of Ecological Restoration Principles To Achieve Remedy Protection at the Fernald Preserve and Weldon Spring Sites The Use of Ecological Restoration Principles To Achieve Remedy Protection at the Fernald Preserve and Weldon Spring Sites The Use of Ecological Restoration Principles To Achieve Remedy Protection at the Fernald Preserve and Weldon Spring Sites The Use of Ecological Restoration Principles To Achieve

  9. 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

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Department of Energy Cost Principles Webinar for DOE Grant Recipients - Text Version Cost Principles Webinar for DOE Grant Recipients - Text Version 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

  11. 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

  12. State Agreements-In-Principle | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Compliance » State Agreements-In-Principle State Agreements-In-Principle The EM Office of Regulatory Compliance coordinates within EM offices and other Departmental organizations to review proposed Agreements-in-Principle (AIPs) with States. We review proposed agreements and, if necessary, develop program policies to support Program and Field Office implementation of the AIP program. On December 22, 1995, EM-1 released the State Agreement-In-Principle Program Guidance Memorandum. The guidance

  13. Guiding Principles for Successfully Implementing Industrial Energy Assessment Recommendations

    SciTech Connect

    2011-04-01

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

  14. Curvature constraints from the causal entropic principle

    SciTech Connect

    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.

  15. First principles cable braid electromagnetic penetration model

    SciTech Connect

    Warne, Larry Kevin; Langston, William L.; Basilio, Lorena I.; Johnson, William A.

    2016-01-01

    The model for penetration of a wire braid is rigorously formulated. Integral formulas are developed from energy principles for both self and transfer immittances in terms of potentials for the fields. The detailed boundary value problem for the wire braid is also set up in a very efficient manner; the braid wires act as sources for the potentials in the form of a sequence of line multi-poles with unknown coefficients that are determined by means of conditions arising from the wire surface boundary conditions. Approximations are introduced to relate the local properties of the braid wires to a simplified infinite periodic planar geometry. Furthermore, this is used to treat nonuniform coaxial geometries including eccentric interior coaxial arrangements and an exterior ground plane.

  16. First principles cable braid electromagnetic penetration model

    DOE PAGES [OSTI]

    Warne, Larry Kevin; Langston, William L.; Basilio, Lorena I.; Johnson, William A.

    2016-01-01

    The model for penetration of a wire braid is rigorously formulated. Integral formulas are developed from energy principles for both self and transfer immittances in terms of potentials for the fields. The detailed boundary value problem for the wire braid is also set up in a very efficient manner; the braid wires act as sources for the potentials in the form of a sequence of line multi-poles with unknown coefficients that are determined by means of conditions arising from the wire surface boundary conditions. Approximations are introduced to relate the local properties of the braid wires to a simplified infinitemore » periodic planar geometry. Furthermore, this is used to treat nonuniform coaxial geometries including eccentric interior coaxial arrangements and an exterior ground plane.« less

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

    SciTech Connect

    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 μ{sub B}.

  18. Extrapolating dynamic leidenfrost principles to metallic nanodroplets...

    Office of Scientific and Technical Information (OSTI)

    here we have used classical molecular dynamics simulations to investigate whether Cu ... Publisher: Nature Publishing Group Research Org: Oak Ridge National Laboratory (ORNL), Oak ...

  19. On the correspondence between quantum and classical variational principles

    DOE PAGES [OSTI]

    Ruiz, D. E.; Dodin, I. Y.

    2015-06-10

    Here, classical variational principles can be deduced from quantum variational principles via formal reparameterization of the latter. It is shown that such reparameterization is possible without invoking any assumptions other than classicality and without appealing to dynamical equations. As examples, first principle variational formulations of classical point-particle and cold-fluid motion are derived from their quantum counterparts for Schrodinger, Pauli, and Klein-Gordon particles.

  20. National Laboratory Impact Initiative Guiding Principles | Department of

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Energy 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 environmental challenges facing the United States in the

  1. Multiple Motivations Institutional Change Principle | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Multiple Motivations Institutional Change Principle Multiple Motivations Institutional Change Principle 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 behaviors for many reasons. They likely need more than one reason for changing their current behavior. Therefore, people may shift to more sustainable, energy-efficient behaviors in the workplace

  2. 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

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

    Office of Scientific and Technical Information (OSTI)

    Catalyst Design: Application to Carbon Capture Catalysis Citation Details In-Document Search Title: Developing an Approach for First-principles Catalyst Design: Application ...

  4. 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 ...

  5. 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...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    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 ...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    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 ...

  8. Artificial Photosynthesis I - Design Principles for Light Harvesting

    U.S. Department of Energy (DOE) - all 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...

  9. 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. ...

  10. 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 ...

  11. 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, ...

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

    U.S. Department of Energy (DOE) - all 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...

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

    OpenEI (Open Energy Information) [EERE & EIA]

    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...

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

    Energy.gov [DOE] (indexed site)

    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 ...

  15. First-Principles Theoretical Studies of Hydrogen Interaction...

    Office of Scientific and Technical Information (OSTI)

    Studies of Hydrogen Interaction with Ultrathin Mg and Mg-based Alloy Films Citation Details In-Document Search Title: First-Principles Theoretical Studies of Hydrogen Interaction ...

  16. 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 ...

  17. 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 ...

  18. 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 ...

  19. 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...

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

    Office of Science (SC)

    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

  1. Guiding Principles for Successfully Implementing Industrial Energy Assessment Recommendations

    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 for Successfully Implementing Industrial Energy Assessment Recommendations was developed under the Save Energy Now LEADER activity for the U.S. Department of Energy's Industrial Technologies Program (ITP). The creation of this handbook was a result of the Learning from Success: Assessment to Implementation Best

  2. Guiding Principles of Real Property Asset Management | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Guiding Principles of Real Property Asset Management Guiding Principles of Real Property Asset Management frpc_guidance_final.pdf (318.72 KB) More Documents & Publications Department of Energy Asset Management Plan Correspondence Style Guide The Department of Energy Asset Management Plan (2015

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

  5. ASU EFRC - Principal investigators

    U.S. Department of Energy (DOE) - all 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...

  6. Energy Literacy Social Studies Guide – Essential Principle 3

    Education - Teach & Learn

    A guide for social studies educators using the Energy Literacy framework and videos. Includes discussion points related to Essential Principle 3: "Biological processes depend on energy flow through the Earth system."

  7. Guiding Principles to Promote Electric Vehicles and Charging Infrastructure

    Energy.gov [DOE]

    On July 21, 2016, the White House announced that nearly 50 industry members signed on to Guiding Principles to Promote Electric Vehicles and Charging Infrastructure. This commitment signified the...

  8. 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 ...

  9. Energy Literacy Social Studies Guide – Essential Principle 7

    Education - Teach & Learn

    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."

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

    Energy.gov [DOE] (indexed site)

    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 ...

  11. STATEMENT OF CONSIDERATIONS REQUEST BY PRINCIPLE POWER, INC. ("PRINCIPLE POWER") FOR AN ADVANCE

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    PRINCIPLE POWER, INC. ("PRINCIPLE POWER") FOR AN ADVANCE WAIVER OF PATENT RIGHTS UNDER DOE AWARD NO. DE-EE0005987; W(A) 2013-006 Principle Power has requested a waiver of patent rights of the United States of America for all subject inventions arising from its pa11icipation under the above referenced award entitled "WindFloat Pacific Offshore Wind Demonstration Project." The purpose of the award is to demonstrate an offshore wind facility consisting of five WindF1oat

  12. 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

  13. 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

  14. Ethics - Fourteen Principles of Ethical Conduct for Federal Employees |

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Department of Energy Fourteen Principles of Ethical Conduct for Federal Employees Ethics - Fourteen Principles of Ethical Conduct for Federal Employees This guide provides a brief overview of the ethics rules and standards of ethical conduct that all employees should know and follow. Discuss any question not answered here with your supervisor or ethics counsel. Your ethics counsel is: For Field Office employees, your respective field counsel. For Headquarters employees, the Office of the

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

    SciTech Connect

    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.

  16. Social Empowerment Institutional Change Principle | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Empowerment Institutional Change Principle Social Empowerment Institutional Change Principle By creating a context in which workers feel empowered to take action, federal agencies can promote behaviors and behavior changes that support their sustainability goals. When individuals and organizations believe they can reach desirable social goals, they often do-as is shown in research studies of change. Methods Workers are socially motivated by three desires: Autonomy: They want to have control over

  17. Are the invariance principles really truly Lorentz covariant?

    SciTech Connect

    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).

  18. 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

  19. 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

  20. Cost Principles and Special Terms and Conditions for DOE Financial

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Assistance Recipients | Department of Energy Cost Principles and Special Terms and Conditions for DOE Financial Assistance Recipients Cost Principles and Special Terms and Conditions for DOE Financial Assistance Recipients DOE Financial Assistance presentation at the 2012 Peer Review Meeting gtp_2012peerreview_financial_assist.pdf (112.34 KB) More Documents & Publications Sample Indirect Rate Proposal (Pre-Award) and For-Profit Compliance Audit Information Audit Report: OAS-M-14-05

  1. First principles approach to ionicity of fragments (Journal Article) | DOE

    Office of Scientific and Technical Information (OSTI)

    PAGES First principles approach to ionicity of fragments Title: First principles approach to ionicity of fragments Authors: Pilania, Ghanshyam ; Liu, Xiang-Yang ; Valone, Steven M. Publication Date: 2015-02-01 OSTI Identifier: 1249919 Grant/Contract Number: 20120053ER Type: Publisher's Accepted Manuscript Journal Name: Chemical Physics Additional Journal Information: Journal Volume: 448; Journal Issue: C; Related Information: CHORUS Timestamp: 2016-09-13 03:29:30; Journal ID: ISSN 0301-0104

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

    SciTech Connect

    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.

  3. Final Report: Investigations of Mixed-Phase Cloud Microphysical, Radiative,

    Office of Scientific and Technical Information (OSTI)

    and Dynamical Processes (Technical Report) | SciTech Connect Final Report: Investigations of Mixed-Phase Cloud Microphysical, Radiative, and Dynamical Processes Citation Details In-Document Search Title: Final Report: Investigations of Mixed-Phase Cloud Microphysical, Radiative, and Dynamical Processes This project supported the principle investigator's work on a number of studies regarding mixed-phase clouds and in various related collaborations with ARM and related scientists. This project

  4. Design Principles for Effective Knowledge Discovery from Big Data

    SciTech Connect

    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.

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

    SciTech Connect

    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.

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

    U.S. Department of Energy (DOE) - all 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 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 EL1_SocStudiesGuides_AGI.pdf

  8. 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 EL6_SocStudiesGuides_AGI.pdf (117.62 KB) More

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

    SciTech Connect

    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.

  10. Two Principles For Clean-Energy Policy | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Principles For Clean-Energy Policy Two Principles For Clean-Energy Policy May 16, 2012 - 5:35pm Addthis Richard Kauffman Richard Kauffman Senior Advisor to the Secretary of Energy Editor's note: this article originally appeared in the National Journal. Boom and Bust comes at a critical moment for the future of clean energy in the US. On one hand, the recent global scale-up in clean energy deployment has significantly reduced costs in that sector, for example a 75 percent decline in the price of

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

    SciTech Connect

    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.

  12. State Agreement-In-Principle Program Guidance Memorandum

    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...

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

    SciTech Connect

    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.

  14. Path Integral for Dirac oscillator with generalized uncertainty principle

    SciTech Connect

    Benzair, H.; Boudjedaa, T.; Merad, M.

    2012-12-15

    The propagator for Dirac oscillator in (1+1) dimension, with deformed commutation relation of the Heisenberg principle, is calculated using path integral in quadri-momentum representation. As the mass is related to momentum, we then adapt the space-time transformation method to evaluate quantum corrections and this latter is dependent from the point discretization interval.

  15. DC Fast Charge Impacts on Battery Life and Vehicle Performance...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Vehicle Technologies Office Merit Review 2014: DC Fast Charging Effects on Battery Life and EVSE Efficiency and Security Testing AVTA: 2011 Honda CRZ HEV Testing Results AVTA: 2011 ...

  16. 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

  17. Accident Investigation Handbook

    Energy.gov [DOE] (indexed site)

    ... 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 ...

  18. Predicting the cosmological constant from the causal entropic principle

    SciTech Connect

    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.

  19. Predicting the Cosmological Constant from the Causal Entropic Principle

    SciTech Connect

    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.

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

    Energy Saver

    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

  1. Design Principles of Coherent Photosynthetic Energy Transport: Insights

    U.S. Department of Energy (DOE) - all 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

  2. Foreign-national Investigators

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    foreign national investigators 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

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

    SciTech Connect

    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.

  4. A general maximum entropy framework for thermodynamic variational principles

    SciTech Connect

    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 Ψ for an arbitrary probability distribution p-hat, such that Ψ is a minimum at (p-hat) = p. Minimization of Ψ 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–Ψ are given for equilibrium and non-equilibrium systems. An interpretation of changes in Ψ is given in terms of the second law, although min–Ψ itself is an intrinsic variational property of MaxEnt that is distinct from the second law.

  5. Strategic principles workshops: Discussion drafts and workshop notes

    SciTech Connect

    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.

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

    DOE PAGES [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 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

  7. Ecological Principles and Guidelines for Managing the Use of Land

    SciTech Connect

    Dale, Virginia H; Brown, Sandra; Haeuber, R A; Hobbs, N T; Huntly, N; Naiman, R J; Riebsame, W E; Turner, M G; Valone, T J

    2014-01-01

    The many ways that people have used and managed land throughout history has emerged as a primary cause of land-cover change around the world. Thus, land use and land management increasingly represent a fundamental source of change in the global environment. Despite their global importance, however, many decisions about the management and use of land are made with scant attention to ecological impacts. Thus, ecologists' knowledge of the functioning of Earth's ecosystems is needed to broaden the scientific basis of decisions on land use and management. In response to this need, the Ecological Society of America established a committee to examine the ways that land-use decisions are made and the ways that ecologists could help inform those decisions. This paper reports the scientific findings of that committee. Five principles of ecological science have particular implications for land use and can assure that fundamental processes of Earth's ecosystems are sustained. These ecological principles deal with time, species, place, dis- turbance, and the landscape. The recognition that ecological processes occur within a temporal setting and change over time is fundamental to analyzing the effects of land use. In addition, individual species and networks of interacting species have strong and far-reaching effects on ecological processes. Furthermore, each site or region has a unique set of organisms and abiotic conditions influencing and constraining ecological processes. Distur- bances are important and ubiquitous ecological events whose effects may strongly influence population, com- munity, and ecosystem dynamics. Finally, the size, shape, and spatial relationships of habitat patches on the landscape affect the structure and function of ecosystems. The responses of the land to changes in use and management by people depend on expressions of these fundamental principles in nature. These principles dictate several guidelines for land use. The guidelines give practical

  8. Manus Water Isotope Investigation

    Office of Scientific and Technical Information (OSTI)

    ENERGY Office of Science DOESC-ARM-15-079 Manus Water Isotope Investigation Field ... DOESC-ARM-15-079 Manus Water Isotope Investigation Field Campaign Report JL Conroy, ...

  9. FBP Notice to Investigate

    Energy.gov [DOE] (indexed site)

    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...

  10. Manus Water Isotope Investigation

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    9 Manus Water Isotope Investigation Field Campaign Report JL Conroy D Noone KM Cobb March ... DOESC-ARM-15-079 Manus Water Isotope Investigation Field Campaign Report JL Conroy, ...

  11. Computational Investigations of Solid-Liquid Interfaces

    SciTech Connect

    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.

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

    DOE PAGES [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 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

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

    SciTech Connect

    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.

  14. 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 ...

  15. 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...

  16. First-principles simulations of a graphene-based field-effect...

    Office of Scientific and Technical Information (OSTI)

    First-principles simulations of a graphene-based field-effect transistor Prev Next Title: First-principles simulations of a graphene-based field-effect transistor Authors: ...

  17. Basic principles and mechanisms of selective oil agglomeration

    SciTech Connect

    Wheelock, T.D.

    1994-07-01

    The overall objective of this work is to determine the important principles and basic mechanisms which underlie various selective oil agglomeration processes for beneficiating fine-size coal in order to facilitate the technical development and application of such processes to various types of coal. The recent work described herein has involved a more detailed study of the effects of mild oxidation on the surface properties of different types of coal and the relationship between the agglomerability of oxidized coals and their surface properties. In addition, the work has involved developing more effective means for separating coal and pyrite by finding and applying selective depressants for pyrite.

  18. Coherent electron cooling proof of principle instrumentation design

    SciTech Connect

    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.

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

    SciTech Connect

    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.

  20. 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

  1. Central Plateau Principles Public Involvement Advice DETAILED BACKGROUND

    U.S. Department of Energy (DOE) - all 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

  2. Effects of Potassium Doping on CO Hydrogenation Over MoS2 Catalysts: A First-Principles Investigation

    SciTech Connect

    Andersen, Amity; Kathmann, Shawn M.; Lilga, Michael A.; Albrecht, Karl O.; Hallen, Richard T.; Mei, Donghai

    2014-07-01

    Periodic density functional theory calculations were performed to explore the effects of doping potassium (K) on the reactivity of CO hydrogenation to mixed higher alcohols over MoS2 catalysts. We found that the doped K species over the model MoS2(100) catalyst surface acts as a unique site for CO adsorption where either the K-C or the K-O bonding is allowed. The charge transfer from the K 4s electron to the conduction band of the MoS2(100) surface slightly enhances CO adsorption at the edge Mo sites. Due to the large electropositive nature, the presence of the surface K species, however, will hinder the dissociative adsorption of hydrogen. As a result, the doping K species drive CO hydrogenation selectivity toward the C2+ alcohols instead of hydrocarbons by increasing CO and decreasing hydrogen coverages on the MoS2 catalysts. To further elucidate the effect of doping K on the shifting of the selectivity toward CO hydrogenation, we calculated several key reaction steps leading to the H2CCO precursor formation, i.e., CO hydrogenation, the C-O bond scission and the C-C coupling (CH2+CO). The C-C coupling step is favorable for both the Mo and S edges. However, the undoped S edge has an overall more thermodynamically favorable reaction profile up to C-O scission compared with the Mo edge. This work was funded by a CRADA project (No. PNNL/297) with Range Fuels. The research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The work involving the results analysis and mansucript writing was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences.

  3. Final Technical Report: First Principles Investigations for the Ensemble Effects of PdAu and PtAu Bimetallic Nanocatalysts

    SciTech Connect

    Ruqian Wu

    2012-05-18

    Bimetallic surfaces with tunable chemical properties have attracted broad attention in recent years due to their ample potential for heterogeneous catalysis applications. The local chemical properties of constituents are strongly altered from their parent metals by 'ligand effect', a term encompassing the influences of charge transfer, orbital rehybridization and lattice strain. In comparison to the aforementioned, the 'ensemble effect' associated with particular arrangements of the active constituents have received much less attention, despite their notable importance towards the determination of reactivity and selectivity of bimetallic catalysts. We performed theoretical studies for understanding the ensemble effects on bimetallic catalysis: (i) simulations for the formation of different ensembles on PdAu and PtAu nanoclusters; (ii) studies of the size, shape, and substrate dependence of their electronic properties; and (iii) simulations for model reactions such as CO oxidation, methanol, ethylene and water dehydrogenation on PdAu and PtAu nanoclusters. In close collaboration with leading experimental groups, our theoretical research elucidated the fundamentals of Au based bimetallic nanocatalysts.

  4. 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

  5. 2016 Guiding Principles for Sustainable Federal Buildings Updates Crosswalks: Existing Buildings and New Construction or Modernization

    Office of Energy Efficiency and Renewable Energy (EERE)

    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 or modernization.

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

    SciTech Connect

    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.

  7. Structural stability and electronic properties of InSb nanowires: A first-principles study

    SciTech Connect

    Zhang, Yong; Tang, Li-Ming Ning, Feng; Chen, Ke-Qiu; Wang, Dan

    2015-03-28

    Using first-principles calculations, we investigate the structural stability and electronic properties of InSb nanowires (NWs). The results show that, in contrast to the bulk InSb phase, wurtzite (WZ) NWs are more stable than zinc-blende (ZB) NWs when the NW diameter is smaller than 10 nm. Nonpassivated ZB and WZ NWs are found to be metallic and semiconducting, respectively. After passivation, both ZB and WZ NWs exhibit direct-gap semiconductor character, and the band gap magnitude of the NWs strongly depends on the suppression of surface states by the charge-compensation ability of foreign atoms to surface atoms. Moreover, the carrier mobility of the NW can be strengthened by halogen passivation.

  8. PRINCIPLE DESIGN OF 300KHZ MECO RF KICKER BIPOLAR SOLID STATE MODULATOR.

    SciTech Connect

    ZHANG,W.; KOTLYAR,Y.

    2004-05-23

    A high speed, high repetition rate, bipolar solid-state high voltage modulator is under development at Brookhaven National Laboratory for Muon Electron Conversion (MECO) Experiment. The modulator will be used to drive a RF kicker consisting a pair of parallel deflecting plates. The principle design is based on the inductive-adder topology. This system requires a fast pulse rise and fall time about 20ns, a pulse width of 100ns, a pulse repetition rate of 300 kHz, and a 60 kHz sine-wave amplitude modulation. The fast high voltage MOSFETs are used as main switching devices.Different magnetic materials are being investigated for adder core magnets. The main circuit design, critical subsystems, and major technical issues will be discussed. The circuit simulation, components selection and evaluation, and preliminary test results will be presented.

  9. Spatial design principles for sustainable hydropower development in river basins

    SciTech Connect

    Jager, Henriëtte I.; Efroymson, Rebecca A.; Opperman, Jeff J.; Kelly, Michael R.

    2015-02-27

    How can dams be arranged within a river basin such that they benefit society? Recent interest in this question has grown in response to the worldwide trend toward developing hydropower as a source of renewable energy in Asia and South America, and the movement toward removing unnecessary dams in the US. Environmental and energy sustainability are important practical concerns, and yet river development has rarely been planned with the goal of providing society with a portfolio of ecosystem services into the future. We organized a review and synthesis of the growing research in sustainable river basin design around four spatial decisions: Is it better to build fewer mainstem dams or more tributary dams? Should dams be clustered or distributed among distant subbasins? Where should dams be placed along a river? At what spatial scale should decisions be made? We came up with the following design principles for increasing ecological sustainability: (i) concentrate dams within a subset of tributary watersheds and avoid downstream mainstems of rivers, (ii) disperse freshwater reserves among the remaining tributary catchments, (iii) ensure that habitat provided between dams will support reproduction and retain offspring, and (iv) formulate spatial decision problems at the scale of large river basins. Based on our review, we discuss trade-offs between hydropower and ecological objectives when planning river basin development. We hope that future testing and refinement of principles extracted from our review will define a path toward sustainable river basin design.

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

    SciTech Connect

    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.

  11. Variational principles with Pad approximants for tearing mode analysis

    SciTech Connect

    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.

  12. Spatial design principles for sustainable hydropower development in river basins

    DOE PAGES [OSTI]

    Jager, Henriëtte I.; Efroymson, Rebecca A.; Opperman, Jeff J.; Kelly, Michael R.

    2015-02-27

    How can dams be arranged within a river basin such that they benefit society? Recent interest in this question has grown in response to the worldwide trend toward developing hydropower as a source of renewable energy in Asia and South America, and the movement toward removing unnecessary dams in the US. Environmental and energy sustainability are important practical concerns, and yet river development has rarely been planned with the goal of providing society with a portfolio of ecosystem services into the future. We organized a review and synthesis of the growing research in sustainable river basin design around four spatialmore » decisions: Is it better to build fewer mainstem dams or more tributary dams? Should dams be clustered or distributed among distant subbasins? Where should dams be placed along a river? At what spatial scale should decisions be made? We came up with the following design principles for increasing ecological sustainability: (i) concentrate dams within a subset of tributary watersheds and avoid downstream mainstems of rivers, (ii) disperse freshwater reserves among the remaining tributary catchments, (iii) ensure that habitat provided between dams will support reproduction and retain offspring, and (iv) formulate spatial decision problems at the scale of large river basins. Based on our review, we discuss trade-offs between hydropower and ecological objectives when planning river basin development. We hope that future testing and refinement of principles extracted from our review will define a path toward sustainable river basin design.« less

  13. 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 ...

  14. Electromagnetic response of C12 : A first-principles calculation

    DOE PAGES [OSTI]

    Lovato, A.; Gandolfi, S.; Carlson, J.; Pieper, Steven C.; Schiavilla, R.

    2016-08-15

    Here, the longitudinal and transverse electromagnetic response functions ofmore » $$^{12}$$C are computed in a ``first-principles'' Green's function Monte Carlo calculation, based on realistic two- and three-nucleon interactions and associated one- and two-body currents. We find excellent agreement between theory and experiment and, in particular, no evidence for the quenching of measured versus calculated longitudinal response. This is further corroborated by a re-analysis of the Coulomb sum rule, in which the contributions from the low-lying $$J^\\pi\\,$$=$$\\, 2^+$$, $0^+$ (Hoyle), and $4^+$ states in $$^{12}$$C are accounted for explicitly in evaluating the total inelastic strength.« less

  15. Hydrogen storage in LiH: A first principle study

    SciTech Connect

    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.

  16. Predicting the Cosmological Constant from the CausalEntropic Principle

    SciTech Connect

    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.

  17. Anaerobic digestion of hog wastes: Principles and practice

    SciTech Connect

    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.

  18. Active nondestructive assay of nuclear materials: principles and applications

    SciTech Connect

    Gozani, Tsahi

    1981-01-01

    The purpose of this book is to present, coherently and comprehensively, the wealth of available but scattered information on the principles and applications of active nondestructive analysis (ANDA). Chapters are devoted to the following: background and overview; interactions of neutrons with matter; interactions of ..gamma..-rays with matter; neutron production and sources; ..gamma..-ray production and sources; effects of neutron and ..gamma..-ray transport in bulk media; signatures of neutron- and photon-induced fissions; neutron and photon detection systems and electronics; representative ANDA systems; and instrument analysis, calibration, and measurement control for ANDA. Each chapter has an introductory section describing the relationship of the topic of that chapter to ANDA. Each chapter ends with a section that summarizes the main results and conclusions of the chapter, and a reference list.

  19. A new proof-of-principle contraband detection system

    SciTech Connect

    Sredniawski, J.J.; Debiak, T.; Kamykowski, E.; Rathke, J.; Schmor, P.; Altman, A.; Rogers, J.; Boyd, J.; Brondo, J.

    1995-12-01

    A new concept for a CDS has been developed under a Phase I ARPA funded program; it uses gamma resonance absorption (GRA) to detect certain illegal drugs that may be transported in man-portable containers. A high detection probability for heroin and cocaine is possible with a device that is also searching for explosives. Elemental detection of both N and Cl is utilized, and with tomography, a 3D density image of the elements is generated. Total density image is also developed. These two together may be used with considerable confidence in determining if heroin or cocaine is present in the interrogated containers in a small quantity (1 kg). The CDS employs a high current ({ge}10 mA) DC accelerator that produces a beam of 1.75 or 1.89 MeV protons. These protons impact a target with coatings of {sup 13}C and {sup 34}S. Depending on the coating, the resultant resonant gamma rays are preferentially absorbed in either {sup 14}N or {sup 35}Cl. The resonant gammas come off the target in a conical fan at 80.7{degree} for N and 82{degree} for Cl; a common array of segmented BGO detectors is used over an arc of 53{degree} to provide input to an imaging subsystem. The tomography makes use of rotation and vertical translation of a baggage carousel holding typically 18 average sized bags for batch processing of the contents. The single proton accelerator and target can supply multiple detection stations with the appropriate gammas, a feature that may lead to very high throughput potential approaching 2000 bags/hr. Each detection station can operate somewhat independently from the others. This paper presents the overall requirements, design, operating principles, and characteristics of the CDS proof-of-principle device developed in the Phase I program.

  20. Director, Division of Investigations

    Energy.gov [DOE]

    The Federal Energy Regulatory Commission is looking for an experienced, highly skilled executive to serve as Director of the Division of Investigations (DOI) in the Office of Enforcement (OE). The...

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

    SciTech Connect

    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.

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

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

    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 Voltec Level 1 and Level 2 charging systems for plug-in electric vehicles. This research was conducted by Idaho National Laboratory.

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

    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 Siemens-VersiCharge Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory.

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

    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 ChargePoint AC Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory.

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

    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. ...

  7. 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. ...

  8. 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. ...

  9. 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. ...

  10. 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. ...

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

    Energy.gov [DOE] (indexed site)

    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...

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

    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.

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

    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.

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

    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.

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

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

    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.

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

    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.

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

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

    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.

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

    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.

  4. Vehicle Technologies Office: AVTA- Electric Vehicle Community and Fleet Readiness Data and Reports

    Energy.gov [DOE]

    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...

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

    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 GE Energy Wattstation AC Level 2 charging system for plug-in electric vehicles. This research was conducted by Idaho National Laboratory.

  6. AVTA: ChargePoint America Recovery Act project map of charging...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    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. ...

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

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

    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 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.

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

    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 Fleet PHEV Testing Results

    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).

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

    SciTech Connect

    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

  13. Microsoft PowerPoint - RAP CP Principles Dec 2014 corrected.pptx

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    & Plateau Committee December 11, 2014 Presentation Overview  Prior work by HAB, DOE, others (including substantial public participation*) regarding Principles  Prior work didn't call them Principles, but included many of the same elements  What's changed from prior work to current draft Principles? *Not included: discussions between tribal nations and one or more of the Tri-Party agencies 1992: The Future for Hanford: Uses and Cleanup Summary of the Final Report of the Hanford

  14. 2016 Guiding Principles for Sustainable Federal Buildings Updates Crosswalks: Existing Buildings

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Existing Buildings Prepared by the U.S. Department of Energy Federal Energy Management Program May 2016 2016 vs 2008 Guiding Principles for Sustainable Federal Buildings Crosswalk: Existing Buildings Exisiting Buildings i 2016 Guiding Principles for Sustainable Federal Buildings Comparison to 2008 version: Existing Buildings Executive Order 13693, Planning for Federal Sustainability in the Next Decade, March 19, 2015, called for revisions to the Guiding Principles for Sustainable Federal

  15. 2016 Guiding Principles for Sustainable Federal Buildings Updates Crosswalks: New Construction and Modernization

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    New Construction and Modernization Prepared by the U.S. Department of Energy Federal Energy Management Program May 2016 2016 vs 2008 Guiding Principles for Sustainable Federal Buildings Crosswalk: New Construction and Modernization New Construction and Modernization i 2016 Guiding Principles for Sustainable Federal Buildings Comparison to 2008 Guiding Principles: New Construction and Modernization Executive Order 13693, Planning for Federal Sustainability in the Next Decade, March 19, 2015,

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

  18. Distributed resonance self-shielding using the equivalence principle

    SciTech Connect

    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)

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

    SciTech Connect

    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.

  20. Principles of regulatory information conservation between mouse and human

    DOE PAGES [OSTI]

    Cheng, Yong; Ma, Zhihai; Kim, Bong-Hyun; Wu, Weisheng; Cayting, Philip; Boyle, Alan P.; Sundaram, Vasavi; Xing, Xiaoyun; Dogan, Nergiz; Li, Jingjing; et al

    2014-11-19

    To broaden our understanding of the evolution of gene regulation mechanisms, we generated occupancy profiles for 34 orthologous transcription factors (TFs) in human–mouse erythroid progenitor, lymphoblast and embryonic stem-cell lines. By combining the genome-wide transcription factor occupancy repertoires, associated epigenetic signals, and co-association patterns, here we deduce several evolutionary principles of gene regulatory features operating since the mouse and human lineages diverged. The genomic distribution profiles, primary binding motifs, chromatin states, and DNA methylation preferences are well conserved for TF-occupied sequences. However, the extent to which orthologous DNA segments are bound by orthologous TFs varies both among TFs and withmore » genomic location: binding at promoters is more highly conserved than binding at distal elements. Notably, occupancy-conserved TF-occupied sequences tend to be pleiotropic; they function in several tissues and also co-associate with many TFs. Lastly, single nucleotide variants at sites with potential regulatory functions are enriched in occupancy-conserved TF-occupied sequences.« less

  1. Principles of regulatory information conservation between mouse and human

    SciTech Connect

    Cheng, Yong; Ma, Zhihai; Kim, Bong-Hyun; Wu, Weisheng; Cayting, Philip; Boyle, Alan P.; Sundaram, Vasavi; Xing, Xiaoyun; Dogan, Nergiz; Li, Jingjing; Euskirchen, Ghia; Lin, Shin; Lin, Yiing; Visel, Axel; Kawli, Trupti; Yang, Xinqiong; Patacsil, Dorrelyn; Keller, Cheryl A.; Giardine, Belinda; Kundaje, Anshul; Wang, Ting; Pennacchio, Len A.; Weng, Zhiping; Hardison, Ross C.; Snyder, Michael P.

    2014-11-19

    To broaden our understanding of the evolution of gene regulation mechanisms, we generated occupancy profiles for 34 orthologous transcription factors (TFs) in human–mouse erythroid progenitor, lymphoblast and embryonic stem-cell lines. By combining the genome-wide transcription factor occupancy repertoires, associated epigenetic signals, and co-association patterns, here we deduce several evolutionary principles of gene regulatory features operating since the mouse and human lineages diverged. The genomic distribution profiles, primary binding motifs, chromatin states, and DNA methylation preferences are well conserved for TF-occupied sequences. However, the extent to which orthologous DNA segments are bound by orthologous TFs varies both among TFs and with genomic location: binding at promoters is more highly conserved than binding at distal elements. Notably, occupancy-conserved TF-occupied sequences tend to be pleiotropic; they function in several tissues and also co-associate with many TFs. Lastly, single nucleotide variants at sites with potential regulatory functions are enriched in occupancy-conserved TF-occupied sequences.

  2. Black hole thermodynamics from a variational principle: asymptotically conical backgrounds

    DOE PAGES [OSTI]

    An, Ok Song; Cvetič, Mirjam; Papadimitriou, Ioannis

    2016-03-14

    The variational problem of gravity theories is directly related to black hole thermodynamics. For asymptotically locally AdS backgrounds it is known that holographic renormalization results in a variational principle in terms of equivalence classes of boundary data under the local asymptotic symmetries of the theory, which automatically leads to finite conserved charges satisfying the first law of thermodynamics. We show that this connection holds well beyond asymptotically AdS black holes. In particular, we formulate the variational problem for N = 2 STU supergravity in four dimensions with boundary conditions corresponding to those obeyed by the so called ‘subtracted geometries’. Wemore » show that such boundary conditions can be imposed covariantly in terms of a set of asymptotic second class constraints, and we derive the appropriate boundary terms that render the variational problem well posed in two different duality frames of the STU model. This allows us to define finite conserved charges associated with any asymptotic Killing vector and to demonstrate that these charges satisfy the Smarr formula and the first law of thermodynamics. Moreover, by uplifting the theory to five dimensions and then reducing on a 2-sphere, we provide a precise map between the thermodynamic observables of the subtracted geometries and those of the BTZ black hole. Finally, surface terms play a crucial role in this identification.« less

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

    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...

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

    Energy Science and Technology Software Center

    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.

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

    SciTech Connect

    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.

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

    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...

  7. 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 ...

  8. Best Practice -- Subsurface Investigations

    SciTech Connect

    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.

  9. Accident Investigation Handbook

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    SENSI NOT MEAS UREMENT TIVE D DOE-HDBK-1 1208-2012 July 2012 DOE E HA ANDBOOK K Ac ccide ent and d Op pera ational Sa afety y An naly ysis Volume e I: Ac ccide ent A Analy ysis Tec chniq ques U.S. Depar rtmen nt of En nergy Was shingto on, D.C C. 205 85 DOE-HDBK-1208-2012 INTRODUCTION - HANDBOOK APPLICATION AND SCOPE Accident Investigations (AI) and Operational Safety Reviews (OSR) are valuable for evaluating technical issues, safety management systems and human performance and environmental

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

    SciTech Connect

    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.

  11. Effect of the Generalized Uncertainty Principle on post-inflation preheating

    SciTech Connect

    Chemissany, Wissam; Das, Saurya; Ali, Ahmed Farag; Vagenas, Elias C. E-mail: saurya.das@uleth.ca E-mail: evagenas@academyofathens.gr

    2011-12-01

    We examine effects of the Generalized Uncertainty Principle, predicted by various theories of quantum gravity to replace the Heisenberg's uncertainty principle near the Planck scale, on post inflation preheating in cosmology, and show that it can predict either an increase or a decrease in parametric resonance and a corresponding change in particle production. Possible implications are considered.

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

  15. High temperature thermoelectric properties of Zr and Hf based transition metal dichalcogenides: A first principles study

    SciTech Connect

    Yumnam, George; Pandey, Tribhuwan; Singh, Abhishek K.

    2015-12-21

    We investigate the electronic and thermal transport properties of bulk MX{sub 2} compounds (M = Zr, Hf and X = S, Se) by first-principles calculations and semi-classical Boltzmann transport theory. The band structure shows the confinement of heavy and light bands along the out of plane and in-plane directions, respectively. This results in high electrical conductivity (σ) and large thermopower leading to a high power factor (S{sup 2}σ) for moderate n-type doping. The phonon dispersion demonstrates low frequency flat acoustical modes, which results in low group velocities (v{sub g}). Consequently, lowering the lattice thermal conductivity (κ{sub latt}) below 2 W/m K. Low κ{sub latt} combined with high power factor results in ZT > 0.8 for all the bulk MX{sub 2} compounds at high temperature of 1200 K. In particular, the ZT{sub max} of HfSe{sub 2} exceeds 1 at 1400 K. Our results show that Hf/Zr based dichalcogenides are very promising for high temperature thermoelectric application.

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

    SciTech Connect

    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.

  17. Federal High Performance and Sustainable Buildings: Guiding Principles for the Laboratory Support Building (LSB)

    SciTech Connect

    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.

  18. 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)

  19. Notification of Investigation at BWCS

    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 e-mail...

  20. Accident Investigation Report- Fire Report

    Energy.gov [DOE]

    On February 7, 2014, Deputy Assistant Secretary, Safety, Security, and Quality Programs Environmental Management, DOE, formally appointed an Accident Investigation Board to investigate an...

  1. First-principles elastic properties of (alpha)-Pu

    SciTech Connect

    Soderlind, P; Klepeis, J E

    2008-11-04

    Density-functional electronic structure calculations have been used to investigate the ambient pressure and low temperature elastic properties of the ground-state {alpha} phase of plutonium metal. The electronic structure and correlation effects are modeled within a fully relativistic anti-ferromagnetic treatment with a generalized gradient approximation for the electron exchange and correlation functionals. The 13 independent elastic constants, for the monoclinic {alpha}-Pu system, are calculated for the observed geometry. A comparison of the results with measured data from resonant ultrasound spectroscopy for a cast sample is made.

  2. A first-principles study of the effect of charge doping on the...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    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...

  3. FEMP Offers Updated Training on the Guiding Principles for High-Performance and Sustainable Buildings

    Energy.gov [DOE]

    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...

  4. First-principles high-pressure unreacted equation of state and...

    Office of Scientific and Technical Information (OSTI)

    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 ...

  5. First-Principles Study of Redox End-Members in Li-Sulfur Batteries...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    First-Principles Study of Redox End-Members in Li-Sulfur Batteries Images for Redox ... and surface characteristics of solid-phase redox end-members in Li-S batteries. ...

  6. Jeung Gon Kim > Principle Research Engineer - Samsung Cheil Industries >

    U.S. Department of Energy (DOE) - all 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

  7. Energy Principles into High School Physics Dr. Ann Reimers, Albert Einstein Distinguished Educator Fellow

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    a Holistic View of Energy Principles into High School Physics Dr. Ann Reimers, Albert Einstein Distinguished Educator Fellow Department of Energy -> UVa American Association of Physics Teachers Summer Meeting 2015 DOE Energy Literacy Framework 2 * Energy Literacy Framework is a guide to help energy educators teach energy from the natural to the social sciences. Also available in Spanish. http://energy.gov/eere/education/energy-literacy-essential-principles-and-fundamental-

  8. Principle of radial transport in low temperature annular plasmas

    SciTech Connect

    Zhang, Yunchao Charles, Christine; Boswell, Rod

    2015-07-15

    Radial transport in low temperature annular plasmas is investigated theoretically in this paper. The electrons are assumed to be in quasi-equilibrium due to their high temperature and light inertial mass. The ions are not in equilibrium and their transport is analyzed in three different situations: a low electric field (LEF) model, an intermediate electric field (IEF) model, and a high electric field (HEF) model. The universal IEF model smoothly connects the LEF and HEF models at their respective electric field strength limits and gives more accurate results of the ion mobility coefficient and effective ion temperature over the entire electric field strength range. Annular modelling is applied to an argon plasma and numerical results of the density peak position, the annular boundary loss coefficient and the electron temperature are given as functions of the annular geometry ratio and Paschen number.

  9. 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

  10. Pressure effects on the elastic and lattice dynamics properties of AlP from first-principles calculations

    SciTech Connect

    Lakel, S.; Okbi, F.; Ibrir, M.; Almi, K.

    2015-03-30

    We have performed first-principles calculations to investigate the behavior under hydrostatic pressure of the structural, elastic and lattice dynamics properties of aluminum phosphide crystal (AlP), in both zinc-blende (B3) and nickel arsenide (B8) phases. Our calculated structural and electronic properties are in good agreement with previous theoretical and experimental results. The elastic constants, bulk modulus (B), shear modulus (G), and Young's modulus (E), Born effective charge and static dielectric constant ε{sub 0}, were calculated with the generalized gradient approximations and the density functional perturbation theory (DFPT). Our results in the pressure behavior of the elastic and dielectric properties of both phases are compared and contrasted with the common III–V materials. The Born effective charge ZB decreases linearly with pressure increasing, while the static dielectric constant decreases quadratically with the increase of pressure.

  11. First-principles study of direct and narrow band gap semiconducting β -CuGaO2

    DOE PAGES [OSTI]

    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

  12. First-principles study of quantum confinement and surface effects on the electronic properties of InAs nanowires

    SciTech Connect

    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.

  13. Effect of sulfur doping on thermoelectric properties of tin selenide – A first principles study

    SciTech Connect

    Jayaraman, Aditya; Molli, Muralikrishna Kamisetti, Venkataramaniah

    2015-06-24

    In this work we present the thermoelectric properties of tin selenide (SnSe) and sulfur doped tin selenide(SnSe{sub (1-x)}S{sub x}, x= 0.125 and 0.25) obtained using first principles calculations. We investigated the electronic band structure using the FP-LAPW method within the sphere of the density functional theory. Thermoelectric properties were calculated using BOLTZTRAP code using the constant relaxation time approximation at three different temperatures 300, 600 and 800 K. Seebeck coefficient (S) was found to decrease with increasing temperature, electrical conductivity (σ/τ) was almost constant in the entire temperature range and thermal conductivity (κ/τ) increased with increasing temperature for all samples. Sulfur doped samples showed enhanced seebeck coefficient, decreased thermal conductivity and decreased electrical conductivity at all temperatures. At 300 K, S increased from 1500 µV/K(SnSe) to 1720μV/K(SnSe{sub 0.75}S{sub 0.25}), thermal conductivity decreased from 5 × 10{sup 15} W/mKs(SnSe) to 3 × 10{sup 15} W/mKs(SnSe{sub 0.75}S{sub 0.25}), electrical conductivity decreased from 7 × 10{sup 20}/Ωms(SnSe) to 5 × 10{sup 20} /Ωms(SnSe{sub 0.75}S{sub 0.25}). These calculations show that sulfur doped tin selenide exhibit better thermoelectric properties than undoped tin selenide.

  14. First principles study of metal contacts to monolayer black phosphorous

    SciTech Connect

    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.

  15. Environmental cost principle: Gone but not forgotten. Master`s thesis

    SciTech Connect

    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.

  16. Variational principle for linear stability of flowing plasmas in Hall magnetohydrodynamics

    SciTech Connect

    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.

  17. First Principles Calculations for X-ray Resonant Spectra and Elastic Properties

    SciTech Connect

    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}.

  18. A new principle for low-cost hydrogen sensors for fuel cell technology safety

    SciTech Connect

    Liess, Martin

    2014-03-24

    Hydrogen sensors are of paramount importance for the safety of hydrogen fuel cell technology as result of the high pressure necessary in fuel tanks and its low explosion limit. I present a novel sensor principle based on thermal conduction that is very sensitive to hydrogen, highly specific and can operate on low temperatures. As opposed to other thermal sensors it can be operated with low cost and low power driving electronics. On top of this, as sensor element a modified standard of-the shelf MEMS thermopile IR-sensor can be used. The sensor principle presented is thus suited for the future mass markets of hydrogen fuel cell technology.S.

  19. Room-temperature ferromagnetism in Cr-doped Si achieved by controlling atomic structure, Cr concentration, and carrier densities: A first-principles study

    SciTech Connect

    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.

  20. AMIE (ACRF MJO Investigation Experiment)

    U.S. Department of Energy (DOE) - all 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...

  1. 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...

  2. 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...

  3. Principles of ground relaying for high voltage and extra high voltage transmission lines

    SciTech Connect

    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.

  4. On the Stochastic Maximum Principle in Optimal Control of Degenerate Diffusions with Lipschitz Coefficients

    SciTech Connect

    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.

  5. Will smart meters ripen or rot? Five first principles for embracing customers as co-creators of value

    SciTech Connect

    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)

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

    Office of Energy Efficiency and Renewable Energy (EERE)

    Funding for Principle Power, Inc., for the WindFloat Pacific Offshore Wind Demonstration Project, offshore of Coos Bay, Oregon. The EA has been cancelled.

  7. Retrocausal Effects as a Consequence of Quantum Mechanics Refined to Accommodate the Principle of Sufficient Reason

    SciTech Connect

    Stapp, Henry P.

    2011-05-10

    The principle of sufficient reason asserts that anything that happens does so for a reason: no definite state of affairs can come into being unless there is a sufficient reason why that particular thing should happen. This principle is usually attributed to Leibniz, although the first recorded Western philosopher to use it was Anaximander of Miletus. The demand that nature be rational, in the sense that it be compatible with the principle of sufficient reason, conflicts with a basic feature of contemporary orthodox physical theory, namely the notion that nature's response to the probing action of an observer is determined by pure chance, and hence on the basis of absolutely no reason at all. This appeal to pure chance can be deemed to have no rational fundamental place in reason-based Western science. It is argued here, on the basis of the other basic principles of quantum physics, that in a world that conforms to the principle of sufficient reason, the usual quantum statistical rules will naturally emerge at the pragmatic level, in cases where the reason behind nature's choice of response is unknown, but that the usual statistics can become biased in an empirically manifest way when the reason for the choice is empirically identifiable. It is shown here that if the statistical laws of quantum mechanics were to be biased in this way then the basically forward-in-time unfolding of empirical reality described by orthodox quantum mechanics would generate the appearances of backward-time-effects of the kind that have been reported in the scientific literature.

  8. Notice of Intent to Investigate

    Energy.gov [DOE] (indexed site)

    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...

  9. Investigating the Effects of Temperature

    U.S. Department of Energy (DOE) - all 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

  10. Junior Solar Sprint - Classroom Investigations

    U.S. Department of Energy (DOE) - all 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

  11. 2008 Annual Progress Report - Advanced Vehicle Technology Analysis and Evaluation Activities and Heavy Vehicle Systems Optimization Program

    SciTech Connect

    none,

    2009-02-24

    Annual Progress Report for fiscal year 2008 for the Advanced Vehicle Technology Analysis and Evaluation (AVTAE) team activities

  12. FY2009 Annual Progress Report for Advanced Vehicle Technology Analysis and Evaluation Activities and Heavy Vehicle Systems Optimization Program

    SciTech Connect

    none,

    2010-02-19

    Annual Progress Report for fiscal year 2009 for the Advanced Vehicle Technology Analysis and Evaluation (AVTAE) team activities

  13. Hurricane Katrina Wind Investigation Report

    SciTech Connect

    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

  14. Design, construction, establishment of proof of principle, and testing of a spectrometer to permit spectroelectrochemical investigations of actinides in a confined system

    SciTech Connect

    Dasgupta, P.K.; Li, J.

    1999-02-01

    This study examines the design, construction, and performance of a spectrometer that was designed and built for UV-visible absorption spectroscopic studies in molten salt media. Contrary to previous designs in the literature, the authors found that furnace and chemical components can be located away from the instrument and electronics. In studying the performance of the spectrometer, they used a potassium chloride eutectic mixture as the molten salt medium. They found that UV-visible absorption spectroscopic studies can be conveniently created in a molten alkali halide media with inexpensive equipment coupled with good sensitivity and precision. Further research will focus on designing a suitable fiber optic probe that will allow the authors to monitor the molten salt process on-line.

  15. The ground state and electronic structure of Gd@C{sub 82}: A systematic theoretical investigation of first principle density functionals

    SciTech Connect

    Dai, Xing; Gao, Yang; Xin, Minsi; Wang, Zhigang; Zhou, Ruhong

    2014-12-28

    As a representative lanthanide endohedral metallofullerene, Gd@C{sub 82} has attracted a widespread attention among theorists and experimentalists ever since its first synthesis. Through comprehensive comparisons and discussions, as well as references to the latest high precision experiments, we evaluated the performance of different computational methods. Our results showed that the appropriate choice of the exchange-correlation functionals is the decisive factor to accurately predict both geometric and electronic structures for Gd@C{sub 82}. The electronic structure of the ground state and energy gap between the septet ground state and the nonet low-lying state obtained from pure density functional methods, such as PBE and PW91, are in good agreement with current experiment. Unlike pure functionals, the popularly used hybrid functionals in previous studies, such as B3LYP, could infer the qualitative correct ground state only when small basis set for C atoms is employed. Furthermore, we also highlighted that other geometric structures of Gd@C{sub 82} with the Gd staying at different positions are either not stable or with higher energies. This work should provide some useful references for various theoretical methodologies in further density functional studies on Gd@C{sub 82} and its derivatives in the future.

  16. Lithium insertion properties of Li{sub x}TiNb{sub 2}O{sub 7} investigated by neutron diffraction and first-principles modelling

    SciTech Connect

    Catti, Michele; Pinus, Ilya; Knight, Kevin

    2015-09-15

    TiNb{sub 2}O{sub 7}, a good candidate as anode in lithium batteries, was treated with n-butyllithium to synthesize Li{sub x}TiNb{sub 2}O{sub 7} phases similar to those formed during electrochemical reactions. The Li{sub 2.67}TiNb{sub 2}O{sub 7} and Li{sub 3.33}TiNb{sub 2}O{sub 7} compounds, monoclinic C2/m, were studied by time-of-flight powder neutron diffraction. Their crystal structures, containing 3×3 blocks of (Ti,Nb)O{sub 6} octahedra, were Rietveld refined including Li positions. The Li atoms are distributed in similar amounts over sites with (Li–O) Coordination Numbers 5 and 4, although CN=5 should be preferred for having lower energy. Quantum-mechanical calculations were also performed, determining the average charge–discharge voltages to be 1.415 and 1.571 V for Li{sub 3.33}TiNb{sub 2}O{sub 7} and Li{sub 2.67}TiNb{sub 2}O{sub 7}, respectively, in good agreement with experimental results. An analysis of the theoretical charge distribution shows that, on lithiation, the chemical reduction of Ti and Nb atoms concentrates in the more condensed peripheral octahedra of the 3×3 block. This corresponds to electrons moving into a partly spin-polarized small band which gives rise to semi-metallic conductivity. - Graphical abstract: Structure of monoclinic Li{sub 3.33}TiNb{sub 2}O{sub 7}, and corresponding electron density of states. - Highlights: • Lithium was chemically inserted into the battery anode material TiNb{sub 2}O{sub 7}. • Li atoms are distributed over four- and fivefold oxygen coordinated sites. • On lithiation Nb and Ti atoms are reduced according to a peculiar structural pattern. • Theoretically predicted charge–discharge voltages fit experiments very well.

  17. DFT investigation on the electronic structure of Faujasite

    SciTech Connect

    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.

  18. Electronic and magnetic properties of double perovskite Dy{sub 2}MnCoO{sub 6} by first-principles calculation

    SciTech Connect

    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}.

  19. Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations

    SciTech Connect

    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.

  20. Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations

    SciTech Connect

    Zhou, Fei; Nielson, Weston; Xia, Yi; Ozolins, 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 KL to values near the amorphous limit.

  1. Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

    SciTech Connect

    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.

  2. Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations

    DOE PAGES [OSTI]

    Zhou, Fei; Nielson, Weston; Xia, Yi; Ozolins, 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

  3. Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis

    SciTech Connect

    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 acetylcholine 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.

  4. Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

    DOE PAGES [OSTI]

    Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; Weber, William J.

    2015-01-21

    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. Furthermore, these results could serve asmore » guiding principles in predicting oxygen vacancy stability in strained systems and in the design of vacancy stabilized materials.« less

  5. Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis

    DOE PAGES [OSTI]

    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

  6. First-principles analysis of anharmonic nuclear motion and thermal transport in thermoelectric materials

    SciTech Connect

    Tadano, Terumasa; Tsuneyuki, Shinji

    2015-12-31

    We show a first-principles approach for analyzing anharmonic properties of lattice vibrations in solids. We firstly extract harmonic and anharmonic force constants from accurate first-principles calculations based on the density functional theory. Using the many-body perturbation theory of phonons, we then estimate the phonon scattering probability due to anharmonic phonon-phonon interactions. We show the validity of the approach by computing the lattice thermal conductivity of Si, a typical covalent semiconductor, and selected thermoelectric materials PbTe and Bi{sub 2}Te{sub 3} based on the Boltzmann transport equation. We also show that the phonon lifetime and the lattice thermal conductivity of the high-temperature phase of SrTiO{sub 3} can be estimated by employing the perturbation theory on top of the solution of the self-consistent phonon equation.

  7. New Optical Evaluation Approach for Parabolic Trough Collectors: First-Principle OPTical Intercept Calculation

    SciTech Connect

    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.

  8. Integrating rock mechanics issues with repository design through design process principles and methodology

    SciTech Connect

    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.

  9. ADRO-HQ-010 (july 2016) ADR PRINCIPLES OF CONFLICT RESOLUTION

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    ADRO-HQ-010 (JULY 2016) 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 conflicts,

  10. First Principles Contributions to the Thermodynamic Assessment of Solid State Metal Hydride and Complex Hydride Phases

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Principles Contributions to the Thermodynamic Assessment of Solid State Metal Hydride and Complex Hydride Phases Susanne M. Opalka, United Technologies Research Center Caian Qiu, Caterpillar Champaign Simulation Center Ole Martin Løvvik, University of Olso, Norway DOE Theory Focus Session on Hydrogen Storage Materials Crystal Gateway Marriott, Crystal City, VA May 18, 2006 Acknowledgements We acknowledge the contributions of our collaborators: Paul W. Saxe, Materials Design, Inc. , Institute

  11. Theory of an Earth-bound clock comparison experiment as test of the principle of equivalence

    SciTech Connect

    Opat, G.I. Nuclear Physics Laboratory, GL-10, University of Washington, Seattle, Washington ); Unruh, W.G. )

    1991-11-15

    The comparison at sea level of the rates of two atomic clocks of differing geographical latitude is shown to provide a sensitive test of the principle of equivalence. Specifically, clocks of 1/10{sup 15} stability would effectively compare the rate of fall of the excitation energy of an atom with that of sea water to an accuracy of 1/10{sup 14} or better, a comparison which would be extremely difficult by normal techniques.

  12. Status of Proof-of-principle Experiment for Coherent Electron Cooling

    SciTech Connect

    Pinayev, I; Ben-Zvi, I; Bengtsson, J; Elizarov, A; Fedotov, A V; Gassner, D M; Hao, Y; Kayran, D; Litvinenko, V; Mahler, G J; Meng, W; Roser, T; Sheehy, B; Than, R; Tuozzolo, J E; Wang, G; Webb, S D; Yakimenko, V; Bell, G I; Bruhwiler, D L; Ranjbar, V H; Schwartz, B T; Hutton, A; Krafft, G A; Poelker, M; Rimmer, R A; Kholopov, M A; Vobly, P

    2012-07-01

    Coherent electron cooling (CEC) has a potential to significantly boost luminosity of high-energy, high-intensity hadron colliders. To verify the concept we conduct proof-of-the-principle experiment at RHIC. In this paper, we describe the current experimental setup to be installed into 2 o'clock RHIC interaction regions. We present current design, status of equipment acquisition and estimates for the expected beam parameters.

  13. Best Practices for HPSB Guiding Principles Implementation in Existing DOE Buildings

    SciTech Connect

    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.

  14. Sustainability principles in strategic environmental assessment: A framework for analysis and examples from Italian urban planning

    SciTech Connect

    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.

  15. A first-principles study of lithium-decorated hybrid boron nitride and graphene domains for hydrogen storage

    SciTech Connect

    Hu, Zi-Yu; Shao, Xiaohong E-mail: limin.liu@csrc.ac.cn; Wang, Da; Liu, Li-Min E-mail: limin.liu@csrc.ac.cn; Johnson, J. Karl

    2014-08-28

    First-principles calculations are performed to investigate the adsorption of hydrogen onto Li-decorated hybrid boron nitride and graphene domains of (BN){sub x}C{sub 1−x} complexes with x = 1, 0.25, 0.5, 0.75, 0, and B{sub 0.125}C{sub 0.875}. The most stable adsorption sites for the nth hydrogen molecule in the lithium-decorated (BN){sub x}C{sub 1−x} complexes are systematically discussed. The most stable adsorption sites were affected by the charge localization, and the hydrogen molecules were favorably located above the C-C bonds beside the Li atom. The results show that the nitrogen atoms in the substrate planes could increase the hybridization between the 2p orbitals of Li and the orbitals of H{sub 2}. The results revealed that the (BN){sub x}C{sub 1−x} complexes not only have good thermal stability but they also exhibit a high hydrogen storage of 8.7% because of their dehydrogenation ability.

  16. First principles study on the electronic transport properties of C{sub 60} and B{sub 80} molecular bridges

    SciTech Connect

    Zheng, X. H. Hao, H.; Lan, J.; Wang, X. L.; Shi, X. Q.; Zeng, Z.

    2014-08-21

    The electronic transport properties of molecular bridges constructed by C{sub 60} and B{sub 80} molecules which have the same symmetry are investigated by first principles calculations combined with a non-equilibrium Green's function technique. It is found that, like C{sub 60}, monomer B{sub 80} is a good conductor arising from the charge transfer from the leads to the molecule, while the dimer (B{sub 80}){sub 2} and (C{sub 60}){sub 2} are both insulators due to the potential barrier formed at the molecule-molecule interface. Our further study shows that, although both the homogeneous dimer (B{sub 80}){sub 2} and (C{sub 60}){sub 2} display poor conductivity, the heterogeneous dimer B{sub 80}C{sub 60} shows a very high conductance as a result from the decreased HOMO-LUMO gap and the excess charge redistribution. Finally, we find that the conductivity of both (B{sub 80}){sub 2} and (C{sub 60}){sub 2} can be significantly improved by electron doping, for example, by doping C in (B{sub 80}){sub 2} and doping N in (C{sub 60}){sub 2}.

  17. Interfacial bonding and electronic structure of GaN/GaAs interface: A first-principles study

    SciTech Connect

    Cao, Ruyue; Zhang, Zhaofu; Wang, Changhong; Li, Haobo; Dong, Hong; Liu, Hui; Wang, Weichao; Xie, Xinjian

    2015-04-07

    Understanding of GaN interfacing with GaAs is crucial for GaN to be an effective interfacial layer between high-k oxides and III-V materials with the application in high-mobility metal-oxide-semiconductor field effect transistor (MOSFET) devices. Utilizing first principles calculations, here, we investigate the structural and electronic properties of the GaN/GaAs interface with respect to the interfacial nitrogen contents. The decrease of interfacial N contents leads to more Ga dangling bonds and As-As dimers. At the N-rich limit, the interface with N concentration of 87.5% shows the most stability. Furthermore, a strong band offsets dependence on the interfacial N concentration is also observed. The valance band offset of N7 with hybrid functional calculation is 0.51 eV. The electronic structure analysis shows that significant interface states exist in all the GaN/GaAs models with various N contents, which originate from the interfacial dangling bonds and some unsaturated Ga and N atoms. These large amounts of gap states result in Fermi level pinning and essentially degrade the device performance.

  18. Principles on Radiological Characterization of the Unit 1 at Ignalina NPP for Decommissioning Purposes

    SciTech Connect

    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)

  19. Concentration and density changes at an electrode surface and the principle of unchanging total concentration

    DOE PAGES [OSTI]

    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

  20. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Sleeping Bear Dunes National Lakeshore

    SciTech Connect

    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.

  1. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Grand Canyon National Park

    SciTech Connect

    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.

  2. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for Department of Veterans Affairs – VA Manhattan Campus

    SciTech Connect

    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.

  3. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for Department of Health and Human Services – ASPR

    SciTech Connect

    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.

  4. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Fort Vancouver National Historic Site

    SciTech Connect

    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

  5. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Golden Gate National Recreation Area

    SciTech Connect

    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.

  6. First-Principles Petascale Simulations for Predicting Deflagration to Detonation Transition in Hydrogen-Oxygen Mixtures

    SciTech Connect

    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

  7. The Handicap Principle, Strategic Information Warfare and the Paradox of Asymmetry

    SciTech Connect

    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

  8. 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...

  9. Principal Investigators | Photosynthetic Antenna Research Center

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Principal Investigators Principal Investigators Robert E. Blankenship DirectorPrincipal ... Principal Investigator E-mail: mgross@wustl.edu Phone: (314) 935-4814 Neil Hunter Neil ...

  10. Accident Investigation Report- Radiological Release

    Office of Energy Efficiency and Renewable Energy (EERE)

    On February 14, 2014, an airborne radiological release occurred at the Department of Energy Waste Isolation Pilot Plant (WIPP) near Carlsbad, New Mexico. Because access to the underground was restricted following the event, the investigation was broken into two phases. The Phase 1 report focused on how the radiological material was released into the atmosphere and Phase 2, performed once limited access to the underground was re‐established, focused on the source of the released radiological material.

  11. Type B Accident Investigation, Subcontractor Employee Personal...

    Office of Environmental Management (EM)

    Investigation, Subcontractor Employee Personal Protective Equipment Ignition Incident on ... Type B Accident Investigation, Subcontractor Employee Personal Protective Equipment ...

  12. Integrating total quality management principles with the requirements of DOE Order 5700.6C

    SciTech Connect

    Hedges, D.

    1993-03-01

    The Department of Energy has recently required its field offices, contractors, and subcontractors to implement DOE Order 5700.6C, ``Quality Assurance,`` for all work on waste management contracts. The order restructures the 18 criteria of NQA-1 and focuses on the role of management in achieving and assuring quality, performance of activities to achieve and assure quality, and management`s assessment of its performance for the purpose of identifying improvements to be made. The DOE order also introduces elements of the total quality management (TQM) philosophy, which were not present in DOE Order 5700.6B. The research community within DOE has recently issued a document entitled DOE Order 5700.6C Implementation Guide, which is more explicit about the integration of TQM principles with the implementation of DOE Order 5700.6C in research facilities. The Environmental Protection Agency is sponsoring a quality assurance standard (ANSI/ASQC E-4) to replace EPA`s QAMS 005/80. The new standard is consistent with DOE Order 5700.6C, and it also stresses the integration of TQM principles within the quality assurance process. This paper discusses the intent and philosophy of the 10 criteria of the new DOE order, the status of ANSI/ASQC E-4, and how to effectively integrate TQM principles into the quality assurance process as the conversion is made from NQA-1 to DOE Order 5700.6C. The purpose and value of DOE Order 5700.6C Implementation Guide for research will also be discussed.

  13. New class of planar ferroelectric Mott insulators via first-principles design

    SciTech Connect

    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.

  14. From First Principles Design to Realization of Bimetallic Catalysts for Enhanced Selectivity

    SciTech Connect

    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.

  15. Impact of first-principles properties of deuterium–tritium on inertial confinement fusion target designs

    DOE PAGES [OSTI]

    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

  16. Impact of first-principles properties of deuterium–tritium on inertial confinement fusion target designs

    DOE PAGES [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 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

  17. Impact of first-principles properties of deuterium–tritium on inertial confinement fusion target designs

    SciTech Connect

    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

  18. Impact of first-principles properties of deuterium–tritium on inertial confinement fusion target designs

    SciTech Connect

    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

  19. Impact of first-principles properties of deuterium–tritium on inertial confinement fusion target designsa)

    DOE PAGES [OSTI]

    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

  20. Main Principles of the Perspective System of SNF Management in Russia - 13333

    SciTech Connect

    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)