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Sample records for 019-60 ab dc

  1. Data:7a23ab07-5468-48dc-947a-679327ca61e0 | Open Energy Information

    Open Energy Info (EERE)

    dc-947a-679327ca61e0 No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic...

  2. WASHINGTON. DC.

    Office of Legacy Management (LM)

    WASHINGTON. DC. tzr.~Dfak nuf, Ama fall- II* 8. Atoalc l%mqy Camlealnn . . . . ,L:,. ' ,. 8ta loui Are0 offlaa " . . : ' ; ,.' ~. ._ ; . . ..!"C.. ,:. . . ..~.;~..?n:,.;,, ,_ ," .L,: ' ..: ' I I. P.O. Box 36 ,, ,,,,: ,.,.:... . . Brorarw Btotlrn . St. Louis, $105cnlr1 =- %A. WO. LB - FCA Fbn. A. Dfcklooa, V?,ao huralb$

  3. Bi-directional dc-dc Converter

    Broader source: Energy.gov [DOE]

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

  4. Bi-directional dc-dc Converter

    Broader source: Energy.gov [DOE]

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

  5. DC source assemblies

    DOE Patents [OSTI]

    Campbell, Jeremy B; Newson, Steve

    2013-02-26

    Embodiments of DC source assemblies of power inverter systems of the type suitable for deployment in a vehicle having an electrically grounded chassis are provided. An embodiment of a DC source assembly comprises a housing, a DC source disposed within the housing, a first terminal, and a second terminal. The DC source also comprises a first capacitor having a first electrode electrically coupled to the housing, and a second electrode electrically coupled to the first terminal. The DC source assembly further comprises a second capacitor having a first electrode electrically coupled to the housing, and a second electrode electrically coupled to the second terminal.

  6. Bayer ABS Ltd formerly ABS Industries Ltd | Open Energy Information

    Open Energy Info (EERE)

    (formerly ABS Industries Ltd) Place: Vadodara, Gujarat, India Zip: 335871 Sector: Wind energy Product: Bayer ABS is a plastic, chemical, and pharmaceutical company. Has...

  7. Minesto AB | Open Energy Information

    Open Energy Info (EERE)

    Minesto AB Jump to: navigation, search Name: Minesto AB Region: Sweden Sector: Marine and Hydrokinetic Website: http: This company is listed in the Marine and Hydrokinetic...

  8. ABS Biodiesel | Open Energy Information

    Open Energy Info (EERE)

    Biodiesel Jump to: navigation, search Name: ABS Biodiesel Place: United Kingdom Product: UK-based biodiesel producer developing a plant in Avonmouth, near Bristol. References: ABS...

  9. Washington, DC.20585

    Office of Legacy Management (LM)

    Department of ,En&gy Washington, DC.20585 , ' . The Honorable Thomas, Murphy : ,, 414 Grant.Street Pittsburgh, Pennsylvania 15219 Dear Rayor Murphy:. Secretary of Energy ...

  10. Multilevel DC link inverter

    DOE Patents [OSTI]

    Su, Gui-Jia

    2003-06-10

    A multilevel DC link inverter and method for improving torque response and current regulation in permanent magnet motors and switched reluctance motors having a low inductance includes a plurality of voltage controlled cells connected in series for applying a resulting dc voltage comprised of one or more incremental dc voltages. The cells are provided with switches for increasing the resulting applied dc voltage as speed and back EMF increase, while limiting the voltage that is applied to the commutation switches to perform PWM or dc voltage stepping functions, so as to limit current ripple in the stator windings below an acceptable level, typically 5%. Several embodiments are disclosed including inverters using IGBT's, inverters using thyristors. All of the inverters are operable in both motoring and regenerating modes.

  11. Omega-AB

    Energy Science and Technology Software Center (OSTI)

    2007-05-01

    A hierarchical, modular modeling environment for hybrid simulations of sequential-modular, systems dynamics, discrete-event, and agent-based paradigms Omega-AB models contain a hierarchically-defined module tree that specifies the execution logic for the simulation, and a multi-network graph that defines the environment within which the simulation occurs. Modules are the fundamental buildinig blocks of an Omega-AB model and can define anything from a basic mathematical operation to a complex behavioral response model. Modules rely on the "plug-in" conceptmore » which allows developers to build independent module libraries that are gathered, linked, and instantiated by the Omega-AB engine at run time. Inter-module communication occurs through two complimentary systems: pull-based "ports" for general computation patterns and push-based "plugs" for event processing. The simulation environment is an abstract graph of nodes and links. Agents (module sub-trees headed up by an Agent module) reside at nodes and relate to their neighbors through typed links. To facilitate the construction and visualization of complex, interacting networks with dramatically different structure, Omega-AB provides a system for organizing the nodes into hierarchica trees that describe "slices" of the overall network.« less

  12. DC attenuation meter

    DOE Patents [OSTI]

    Hargrove, Douglas L.

    2004-09-14

    A portable, hand-held meter used to measure direct current (DC) attenuation in low impedance electrical signal cables and signal attenuators. A DC voltage is applied to the signal input of the cable and feedback to the control circuit through the signal cable and attenuators. The control circuit adjusts the applied voltage to the cable until the feedback voltage equals the reference voltage. The "units" of applied voltage required at the cable input is the system attenuation value of the cable and attenuators, which makes this meter unique. The meter may be used to calibrate data signal cables, attenuators, and cable-attenuator assemblies.

  13. DC arc weld starter

    DOE Patents [OSTI]

    Campiotti, Richard H. (Tracy, CA); Hopwood, James E. (Oakley, CA)

    1990-01-01

    A system for starting an arc for welding uses three DC power supplies, a high voltage supply for initiating the arc, an intermediate voltage supply for sustaining the arc, and a low voltage welding supply directly connected across the gap after the high voltage supply is disconnected.

  14. Solibro AB | Open Energy Information

    Open Energy Info (EERE)

    Sweden Zip: 751 21 Sector: Solar Product: Develops thin film solar cells using copper indium gallium diselenide (CIGS). References: Solibro AB1 This article is a stub....

  15. Interproject Service AB | Open Energy Information

    Open Energy Info (EERE)

    AB Jump to: navigation, search Name: Interproject Service AB Region: Sweden Sector: Marine and Hydrokinetic Website: www.ips-ab.com This company is listed in the Marine and...

  16. Washingtori, DC.20585

    Office of Legacy Management (LM)

    Departmeni of &ergy' ~ ,, Washingtori, DC.20585 ,' JAM 2'3: 199: " ,, The Honorable Peter G. Lawson First Selectman P.O. Box 155 Falls Village, Connecticut '06031 Dear Mayor 'Lawson: : Secretary of Energy 'Hazel O'Leary has announced a'new approach to openness in the Department of Energy (DOE) ,and itscommunications.with the,public. In support of this initiative, we are pleased to forward the enclosed information related to the former New England'Lime Co. site in your jurisdiction that

  17. Auxiliary resonant DC tank converter

    DOE Patents [OSTI]

    Peng, Fang Z.

    2000-01-01

    An auxiliary resonant dc tank (ARDCT) converter is provided for achieving soft-switching in a power converter. An ARDCT circuit is coupled directly across a dc bus to the inverter to generate a resonant dc bus voltage, including upper and lower resonant capacitors connected in series as a resonant leg, first and second dc tank capacitors connected in series as a tank leg, and an auxiliary resonant circuit comprising a series combination of a resonant inductor and a pair of auxiliary switching devices. The ARDCT circuit further includes first clamping means for holding the resonant dc bus voltage to the dc tank voltage of the tank leg, and second clamping means for clamping the resonant dc bus voltage to zero during a resonant period. The ARDCT circuit resonantly brings the dc bus voltage to zero in order to provide a zero-voltage switching opportunity for the inverter, then quickly rebounds the dc bus voltage back to the dc tank voltage after the inverter changes state. The auxiliary switching devices are turned on and off under zero-current conditions. The ARDCT circuit only absorbs ripples of the inverter dc bus current, thus having less current stress. In addition, since the ARDCT circuit is coupled in parallel with the dc power supply and the inverter for merely assisting soft-switching of the inverter without participating in real dc power transmission and power conversion, malfunction and failure of the tank circuit will not affect the functional operation of the inverter; thus a highly reliable converter system is expected.

  18. Arontis Solar Concentrator AB | Open Energy Information

    Open Energy Info (EERE)

    Arontis Solar Concentrator AB Jump to: navigation, search Name: Arontis Solar Concentrator AB Place: Harnosand, Sweden Zip: SE-871 31 Product: Developer of a medium-concentrating,...

  19. Improved DC Gun Insulator

    SciTech Connect (OSTI)

    M.L. Neubauer, K.B. Beard, R. Sah, C. Hernandez-Garcia, G. Neil

    2009-05-01

    Many user facilities such as synchrotron light sources and free electron lasers require accelerating structures that support electric fields of 10-100 MV/m, especially at the start of the accelerator chain where ceramic insulators are used for very high gradient DC guns. These insulators are difficult to manufacture, require long commissioning times, and have poor reliability, in part because energetic electrons bury themselves in the ceramic, creating a buildup of charge and causing eventual puncture. A novel ceramic manufacturing process is proposed. It will incorporate bulk resistivity in the region where it is needed to bleed off accumulated charge caused by highly energetic electrons. This process will be optimized to provide an appropriate gradient in bulk resistivity from the vacuum side to the air side of the HV standoff ceramic cylinder. A computer model will be used to determine the optimum cylinder dimensions and required resistivity gradient for an example RF gun application. A ceramic material example with resistivity gradient appropriate for use as a DC gun insulator will be fabricated by glazing using doping compounds and tested.

  20. Effpower AB | Open Energy Information

    Open Energy Info (EERE)

    Zip: SE-422 49 Product: Develops, manufactures and markets cost-competitive bipolar batteries based on lead acid chemistry. References: Effpower AB1 This article is a stub. You...

  1. DC Wafers | Open Energy Information

    Open Energy Info (EERE)

    Wafers Jump to: navigation, search Name: DC Wafers Place: Leon, Spain Product: Spanish manufacturer of multicrystalline silicon wafers. Planning a 30MW wafer slicing line in Leon,...

  2. Triple voltage dc-to-dc converter and method

    DOE Patents [OSTI]

    Su, Gui-Jia

    2008-08-05

    A circuit and method of providing three dc voltage buses and transforming power between a low voltage dc converter and a high voltage dc converter, by coupling a primary dc power circuit and a secondary dc power circuit through an isolation transformer; providing the gating signals to power semiconductor switches in the primary and secondary circuits to control power flow between the primary and secondary circuits and by controlling a phase shift between the primary voltage and the secondary voltage. The primary dc power circuit and the secondary dc power circuit each further comprising at least two tank capacitances arranged in series as a tank leg, at least two resonant switching devices arranged in series with each other and arranged in parallel with the tank leg, and at least one voltage source arranged in parallel with the tank leg and the resonant switching devices, said resonant switching devices including power semiconductor switches that are operated by gating signals. Additional embodiments having a center-tapped battery on the low voltage side and a plurality of modules on both the low voltage side and the high voltage side are also disclosed for the purpose of reducing ripple current and for reducing the size of the components.

  3. Bi-Directional DC-DC Converter for PHEV Applications

    SciTech Connect (OSTI)

    Abas Goodarzi

    2011-01-31

    Plug-In Hybrid Electric Vehicles (PHEV) require high power density energy storage system (ESS) for hybrid operation and high energy density ESS for Electric Vehicle (EV) mode range. However, ESS technologies to maximize power density and energy density simultaneously are not commercially feasible. The use of bi-directional DC-DC converter allows use of multiple energy storage, and the flexible DC-link voltages can enhance the system efficiency and reduce component sizing. This will improve fuel consumption, increase the EV mode range, reduce the total weight, reduce battery initial and life cycle cost, and provide flexibility in system design.

  4. Washington DC | OpenEI Community

    Open Energy Info (EERE)

    DC Home Linked Open Data Workshop in Washington, D.C. Description: A group organizing the LOD workshop in Washington, D.C. in fall 2012 A follow-up event to the successful LOD...

  5. D.C. | OpenEI Community

    Open Energy Info (EERE)

    D.C. Home Kyoung's picture Submitted by Kyoung(150) Contributor 6 September, 2012 - 08:51 GRR Update Meeting scheduled for 913 in D.C. D.C. GRR meeting update The next Geothermal...

  6. Good Energies (Washington DC) | Open Energy Information

    Open Energy Info (EERE)

    Good Energies (Washington DC) Name: Good Energies (Washington DC) Address: 1250 24th St., NW, Suite 250 Place: Washington, District of Columbia Zip: 20037 Product: Global investor...

  7. DC Pro Software Tool Suite

    SciTech Connect (OSTI)

    2009-04-01

    This fact sheet describes how DOE's Data Center Energy Profiler (DC Pro) Software Tool Suite and other resources can help U.S. companies identify ways to improve the efficiency of their data centers.

  8. Sol Voltaics AB | Open Energy Information

    Open Energy Info (EERE)

    Voltaics AB Jump to: navigation, search Name: Sol Voltaics AB Place: Lund, Sweden Zip: 223 70 Sector: Solar Product: QuNano spin-off aimed at developing and commercialising...

  9. Catalog of DC Appliances and Power Systems

    SciTech Connect (OSTI)

    Garbesi, Karina; Vossos, Vagelis; Shen, Hongxia

    2010-10-13

    This document catalogs the characteristics of current and potential future DC products and power systems.

  10. Light-weight DC to very high voltage DC converter

    DOE Patents [OSTI]

    Druce, R.L.; Kirbie, H.C.; Newton, M.A.

    1998-06-30

    A DC-DC converter capable of generating outputs of 100 KV without a transformer comprises a silicon opening switch (SOS) diode connected to allow a charging current from a capacitor to flow into an inductor. When a specified amount of charge has flowed through the SOS diode, it opens up abruptly; and the consequential collapsing field of the inductor causes a voltage and current reversal that is steered into a load capacitor by an output diode. A switch across the series combination of the capacitor, inductor, and SOS diode closes to periodically reset the SOS diode by inducing a forward-biased current. 1 fig.

  11. Light-weight DC to very high voltage DC converter

    DOE Patents [OSTI]

    Druce, Robert L.; Kirbie, Hugh C.; Newton, Mark A.

    1998-01-01

    A DC-DC converter capable of generating outputs of 100 KV without a transformer comprises a silicon opening switch (SOS) diode connected to allow a charging current from a capacitor to flow into an inductor. When a specified amount of charge has flowed through the SOS diode, it opens up abruptly; and the consequential collapsing field of the inductor causes a voltage and current reversal that is steered into a load capacitor by an output diode. A switch across the series combination of the capacitor, inductor, and SOS diode closes to periodically reset the SOS diode by inducing a forward-biased current.

  12. Switching coordination of distributed dc-dc converters for highly efficient photovoltaic power plants

    DOE Patents [OSTI]

    Agamy, Mohammed; Elasser, Ahmed; Sabate, Juan Antonio; Galbraith, Anthony William; Harfman Todorovic, Maja

    2014-09-09

    A distributed photovoltaic (PV) power plant includes a plurality of distributed dc-dc converters. The dc-dc converters are configured to switch in coordination with one another such that at least one dc-dc converter transfers power to a common dc-bus based upon the total system power available from one or more corresponding strings of PV modules. Due to the coordinated switching of the dc-dc converters, each dc-dc converter transferring power to the common dc-bus continues to operate within its optimal efficiency range as well as to optimize the maximum power point tracking in order to increase the energy yield of the PV power plant.

  13. DC to DC power converters and methods of controlling the same

    DOE Patents [OSTI]

    Steigerwald, Robert Louis; Elasser, Ahmed; Sabate, Juan Antonio; Todorovic, Maja Harfman; Agamy, Mohammed

    2012-12-11

    A power generation system configured to provide direct current (DC) power to a DC link is described. The system includes a first power generation unit configured to output DC power. The system also includes a first DC to DC converter comprising an input section and an output section. The output section of the first DC to DC converter is coupled in series with the first power generation unit. The first DC to DC converter is configured to process a first portion of the DC power output by the first power generation unit and to provide an unprocessed second portion of the DC power output of the first power generation unit to the output section.

  14. What is the deal with DC Microgrids?

    Energy Savers [EERE]

    2015 Acuity Brands What is the deal with DC Microgrids? and why would a Lighting company care? Yan Rodriguez VP Product and Technology 2015 Acuity Brands * Why DC Microgrids? *...

  15. ARM - Campaign Instrument - dc8-nasa

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

    ...strumentsdc8-nasa Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA. Send Campaign Instrument : NASA DC-8 (DC8-NASA) Instrument Categories ...

  16. AB Tehachapi Wind Farm | Open Energy Information

    Open Energy Info (EERE)

    In Service Owner Coram Energy Developer AB Energy Energy Purchaser Southern California Edison Co Location Tehachapi CA Coordinates 35.053289, -118.268631 Show Map Loading...

  17. PV Enterprise Sweden AB | Open Energy Information

    Open Energy Info (EERE)

    Sweden AB Place: Vilshult, Sweden Zip: 290 62 Product: Swedish manufacturer of photovoltaic modules, connection boxes, and installation equipment. Coordinates: 56.355011,...

  18. Ecological benefits of dc power transmission

    SciTech Connect (OSTI)

    Kutuzova, N. B.

    2011-05-15

    The environmental effects of dc overhead transmission lines are examined. The major effects of ac and dc transmission lines are compared. Dc lines have advantages compared to ac lines in terms of electrical safety for people under the lines, biological effects, corona losses, and clearance width.

  19. Newseum Washington, D.C.

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

    , 2016 Newseum Washington, D.C. Shaping the future of the marine and hydrokinetic energy industry EXECUTIVE SUMMIT ON MARINE AND HYDROKINETIC RESEARCH AND DEVELOPMENT LETTER FROM THE DIRECTOR Dear Industry Executive, I would like to take this opportunity to personally welcome you to the Executive Summit on Marine and Hydrokinetic (MHK) Research and Development presented by the U.S. Department of Energy Wind and Water Power Technologies Office. We are excited to bring together executive members

  20. EA-377 DC Energy Texas LLC | Department of Energy

    Energy Savers [EERE]

    7 DC Energy Texas LLC EA-377 DC Energy Texas LLC Order authorizing DC Energy Texas LLC to export electric energy to Mexico. PDF icon EA-377 DC Energy Texas LLC More Documents & ...

  1. Ab Initio Calculations Of Nuclear Reactions And Exotic Nuclei...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Ab Initio Calculations Of Nuclear Reactions And Exotic Nuclei Citation Details In-Document Search Title: Ab Initio Calculations Of Nuclear Reactions And Exotic ...

  2. Network for ab initio Many-body Methods: Development, Education...

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

    Miguel Morales is Prinicipal Investigator on Network for ab initio Many-body Methods: Development, Education and Training. Network for ab initio Many-body Methods: Development,...

  3. DC Survey 2013 | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    Management / Aerial Measuring System DC Survey 2013 DC Background Survey (.zip) DC 2013 survey Related Topics ams Emergency Response Related News Department of Energy's chief risk officer visits Nevada National Security Site NNSA sites prepared for disasters using real-time response management system NNSA emergency response assets highlighted NNSA displays helicopter in Baltimore NNSA to Conduct Aerial Radiation Monitoring Survey over Boston April 17-20

  4. Washington, D.C. Office | NREL

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

    Office NREL's Washington, D.C. office provides energy analysis and technical program support to the U.S. Department of Energy. View Larger Map National Renewable Energy Laboratory - D.C. Office 901 D Street, SW (also 370 L'Enfant Promenade, adjacent to the Forrestal building) Suite 930 Washington, D.C., 20024 202-488-2200 D.C. Visitor Information See local information to plan your trip. Security Procedures Building security will accept HSPD-12 badges (recognizable by gold chip on front) or valid

  5. SSL Demonstration: Parking Garage Lighting, Washington, DC

    SciTech Connect (OSTI)

    2013-06-01

    GATEWAY program report brief summarizing an SSL parking garage demonstration at the Dept. of Labor headquarters parking garage in Washington, DC.

  6. Glass Ceramic Dielectrics for DC Bus Capacitors

    Broader source: Energy.gov [DOE]

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

  7. Simultaneous distribution of AC and DC power

    DOE Patents [OSTI]

    Polese, Luigi Gentile

    2015-09-15

    A system and method for the transport and distribution of both AC (alternating current) power and DC (direct current) power over wiring infrastructure normally used for distributing AC power only, for example, residential and/or commercial buildings' electrical wires is disclosed and taught. The system and method permits the combining of AC and DC power sources and the simultaneous distribution of the resulting power over the same wiring. At the utilization site a complementary device permits the separation of the DC power from the AC power and their reconstruction, for use in conventional AC-only and DC-only devices.

  8. High voltage DC power supply

    DOE Patents [OSTI]

    Droege, Thomas F.

    1989-01-01

    A high voltage DC power supply having a first series resistor at the output for limiting current in the event of a short-circuited output, a second series resistor for sensing the magnitude of output current, and a voltage divider circuit for providing a source of feedback voltage for use in voltage regulation is disclosed. The voltage divider circuit is coupled to the second series resistor so as to compensate the feedback voltage for a voltage drop across the first series resistor. The power supply also includes a pulse-width modulated control circuit, having dual clock signals, which is responsive to both the feedback voltage and a command voltage, and also includes voltage and current measuring circuits responsive to the feedback voltage and the voltage developed across the second series resistor respectively.

  9. High voltage DC power supply

    DOE Patents [OSTI]

    Droege, T.F.

    1989-12-19

    A high voltage DC power supply having a first series resistor at the output for limiting current in the event of a short-circuited output, a second series resistor for sensing the magnitude of output current, and a voltage divider circuit for providing a source of feedback voltage for use in voltage regulation is disclosed. The voltage divider circuit is coupled to the second series resistor so as to compensate the feedback voltage for a voltage drop across the first series resistor. The power supply also includes a pulse-width modulated control circuit, having dual clock signals, which is responsive to both the feedback voltage and a command voltage, and also includes voltage and current measuring circuits responsive to the feedback voltage and the voltage developed across the second series resistor respectively. 7 figs.

  10. DC-based magnetic field controller

    DOE Patents [OSTI]

    Kotter, Dale K.; Rankin, Richard A.; Morgan, John P,.

    1994-01-01

    A magnetic field controller for laboratory devices and in particular to dc operated magnetic field controllers for mass spectrometers, comprising a dc power supply in combination with improvements to a hall probe subsystem, display subsystem, preamplifier, field control subsystem, and an output stage.

  11. DC-based magnetic field controller

    DOE Patents [OSTI]

    Kotter, D.K.; Rankin, R.A.; Morgan, J.P.

    1994-05-31

    A magnetic field controller is described for laboratory devices and in particular to dc operated magnetic field controllers for mass spectrometers, comprising a dc power supply in combination with improvements to a Hall probe subsystem, display subsystem, preamplifier, field control subsystem, and an output stage. 1 fig.

  12. PIA - Savannah River Remediation Accreditation Boundary (SRR AB) |

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

    Department of Energy Remediation Accreditation Boundary (SRR AB) PIA - Savannah River Remediation Accreditation Boundary (SRR AB) PIA - Savannah River Remediation Accreditation Boundary (SRR AB) PDF icon PIA - Savannah River Remediation Accreditation Boundary (SRR AB) More Documents & Publications PIA - Savannah River Nuclear Solution IBARS Srs Site Apps. Accreditation Boundary PIA - WEB Physical Security Major Application Occupational Medical Surveillance System (OMSS) PIA, Idaho

  13. EA-327-A DC Energy, LLC | Department of Energy

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

    DC Energy to export electric energy to Canada. EA-327-A DC Energy.pdf More Documents & Publications Application to Export Electric Energy OE Docket No. EA-327-A DC Energy, LLC...

  14. Washington, D.C. Roundtable Summary | Department of Energy

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

    Washington, D.C. Roundtable Summary Washington, D.C. Roundtable Summary Summary of the DOE Office of Indian Energy roundtable held March 30, 2011, in Washington, D.C. PDF icon ...

  15. Logan Daum > Analyst - DC Energy > Center Alumni > The Energy...

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

    Logan Daum Analyst - DC Energy lrd56@cornell.edu Formerly a graduate student with the Fennie Group, Logan joined DC Energy in June of 2013...

  16. Low Cost, High Temperature, High Ripple Current DC Bus Capacitors...

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

    Low Cost, High Temperature, High Ripple Current DC Bus Capacitors Low Cost, High Temperature, High Ripple Current DC Bus Capacitors 2010 DOE Vehicle Technologies and Hydrogen...

  17. Maryland DC Virginia Solar Energy Industries Association MDV...

    Open Energy Info (EERE)

    DC Virginia Solar Energy Industries Association MDV SEIA Jump to: navigation, search Name: Maryland-DC-Virginia Solar Energy Industries Association (MDV-SEIA) Place: Bethesda,...

  18. Washington, D.C. and Indiana: Allison Hybrid Technology Achieves...

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

    Washington, D.C. and Indiana: Allison Hybrid Technology Achieves Commercial Success Washington, D.C. and Indiana: Allison Hybrid Technology Achieves Commercial Success August 21,...

  19. Multilevel cascade voltage source inverter with seperate DC sources...

    Office of Scientific and Technical Information (OSTI)

    Multilevel cascade voltage source inverter with seperate DC sources Citation Details In-Document Search Title: Multilevel cascade voltage source inverter with seperate DC sources ...

  20. Multilevel cascade voltage source inverter with seperate DC sources...

    Office of Scientific and Technical Information (OSTI)

    Multilevel cascade voltage source inverter with seperate DC sources Citation Details In-Document Search Title: Multilevel cascade voltage source inverter with seperate DC sources A ...

  1. INL Efficiency and Security Testing of EVSE, DC Fast Chargers...

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

    INL Efficiency and Security Testing of EVSE, DC Fast Chargers, and Wireless Charging Systems INL Efficiency and Security Testing of EVSE, DC Fast Chargers, and Wireless Charging ...

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

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

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

  3. Microsoft Word - ivanova-dc.doc

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

    the large, small and very small modes (named here as mode 3, 2, and 1). Figure 7. Mean dimension measured by the 2DC vs. temperature for this study (CEPEX). Vertical bars are...

  4. DC High School Science Bowl Regionals

    Broader source: Energy.gov [DOE]

    This event is the Washington, D.C. High School Regional competition for the US National Science Bowl. The regional competition is run by the Office of Economic Impact and Diversity, and the...

  5. Improved DC Gun Insulator Assembly

    SciTech Connect (OSTI)

    Sah, R.; Dudas, A.; Neubauer, M. L.; Poelker, M.; Surles-Law, K. E.L.

    2010-05-23

    Many user facilities such as synchrotron radiation light sources and free electron lasers require accelerating structures that support electric fields of 10-100 MV/m, especially at the start of the accelerator chain where ceramic insulators are used for very high gradient DC guns. These insulators are difficult to manufacture, require long commissioning times, and often exhibit poor reliability. Two technical approaches to solving this problem will be investigated. Firstly, inverted ceramics offer solutions for reduced gradients between the electrodes and ground. An inverted design will be presented for 350 kV, with maximum gradients in the range of 5-10 MV/m. Secondly, novel ceramic manufacturing processes will be studied, in order to protect triple junction locations from emission, by applying a coating with a bulk resistivity. The processes for creating this coating will be optimized to provide protection as well as be used to coat a ceramic with an appropriate gradient in bulk resistivity from the vacuum side to the air side of an HV standoff ceramic cylinder. Example insulator designs are being computer modelled, and insulator samples are being manufactured and tested

  6. Ab-initio Reaction Calculations for Carbon-12 (ESP Technical...

    Office of Scientific and Technical Information (OSTI)

    Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction ...

  7. Gallivare PhotoVoltaic AB | Open Energy Information

    Open Energy Info (EERE)

    Gallivare PhotoVoltaic AB Jump to: navigation, search Name: Gallivare PhotoVoltaic AB Place: Gllivare, Sweden Zip: 982 28 Product: Swedish manufacturer of PV modules at its...

  8. Hydrogen Funding and the AB 118 Investment Plan | Department...

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

    Funding and the AB 118 Investment Plan Hydrogen Funding and the AB 118 Investment Plan Presentation at the Renewable Hydrogen Worshop, Nov. 16, 2009, in Palm Springs, CA PDF icon ...

  9. Halbach array DC motor/generator

    DOE Patents [OSTI]

    Merritt, B.T.; Dreifuerst, G.R.; Post, R.F.

    1998-01-06

    A new configuration of DC motor/generator is based on a Halbach array of permanent magnets. This motor does not use ferrous materials so that the only losses are winding losses and losses due to bearings and windage. An ``inside-out`` design is used as compared to a conventional motor/generator design. The rotating portion, i.e., the rotor, is on the outside of the machine. The stationary portion, i.e., the stator, is formed by the inside of the machine. The rotor contains an array of permanent magnets that provide a uniform field. The windings of the motor are placed in or on the stator. The stator windings are then ``switched`` or ``commutated`` to provide a DC motor/generator much the same as in a conventional DC motor. The commutation can be performed by mechanical means using brushes or by electronic means using switching circuits. The invention is useful in electric vehicles and adjustable speed DC drives. 17 figs.

  10. Halbach array DC motor/generator

    DOE Patents [OSTI]

    Merritt, Bernard T.; Dreifuerst, Gary R.; Post, Richard F.

    1998-01-01

    A new configuration of DC motor/generator is based on a Halbach array of permanent magnets. This motor does not use ferrous materials so that the only losses are winding losses and losses due to bearings and windage. An "inside-out" design is used as compared to a conventional motor/generator design. The rotating portion, i.e., the rotor, is on the outside of the machine. The stationary portion, i.e., the stator, is formed by the inside of the machine. The rotor contains an array of permanent magnets that provide a uniform field. The windings of the motor are placed in or on the stator. The stator windings are then "switched" or "commutated" to provide a DC motor/generator much the same as in a conventional DC motor. The commutation can be performed by mechanical means using brushes or by electronic means using switching circuits. The invention is useful in electric vehicles and adjustable speed DC drives.

  11. SUBCONTRACT REPORT: DC-DC Converter for Fuel Cell and Hybrid Vehicles

    SciTech Connect (OSTI)

    Marlino, Laura D; Zhu, Lizhi

    2007-07-01

    The goal of this project is to develop and fabricate a 5kW dc-dc converter with a baseline 14V output capability for fuel cell and hybrid vehicles. The major objectives for this dc-dc converter technology are to meet: Higher efficiency (92%); High coolant temperature,e capability (105 C); High reliability (15 Years/150,000miles); Smaller volume (5L); Lower weight (6kg); and Lower cost ($75/kW). The key technical challenge for these converters is the 105 C coolant temperatures. The power switches and magnetics must be designed to sustain these operating temperatures reliably, without a large cost/mass/volume penalty.

  12. EA-351 DC Energy Dakota, LLC | Department of Energy

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

    Order authorizing DC Energy Dakota, LLC to export electric energy to Canada PDF icon ... EA-351 DC Energy Dakota, LLC EA-344 Twin Cities Power-Canada, LLC EA-354 Endure Energy, ...

  13. Global DC Power System Market Analysis | OpenEI Community

    Open Energy Info (EERE)

    either positive or negative. It can be powered from an AC or DC source. A basic DC power system consists of a transformer, a rectifier, a filter, and a regulator. All these...

  14. Global DC Power System Market Growth | OpenEI Community

    Open Energy Info (EERE)

    either positive or negative. It can be powered from an AC or DC source. A basic DC power system consists of a transformer, a rectifier, a filter, and a regulator. All these...

  15. Global DC Power System Market Space | OpenEI Community

    Open Energy Info (EERE)

    either positive or negative. It can be powered from an AC or DC source. A basic DC power system consists of a transformer, a rectifier, a filter, and a regulator. All these...

  16. EA-377 DC Energy Texas | Department of Energy

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

    EA-377 DC Energy Texas Order authorizing DC Energy Texas to export electric energy to Mexico. PDF icon EA-377 DCE Texas Order.pdf More Documents & Publications Application to ...

  17. Ab initio non-relativistic spin dynamics

    SciTech Connect (OSTI)

    Ding, Feizhi; Goings, Joshua J.; Li, Xiaosong; Frisch, Michael J.

    2014-12-07

    Many magnetic materials do not conform to the (anti-)ferromagnetic paradigm where all electronic spins are aligned to a global magnetization axis. Unfortunately, most electronic structure methods cannot describe such materials with noncollinear electron spin on account of formally requiring spin alignment. To overcome this limitation, it is necessary to generalize electronic structure methods and allow each electron spin to rotate freely. Here, we report the development of an ab initio time-dependent non-relativistic two-component spinor (TDN2C), which is a generalization of the time-dependent Hartree-Fock equations. Propagating the TDN2C equations in the time domain allows for the first-principles description of spin dynamics. A numerical tool based on the Hirshfeld partitioning scheme is developed to analyze the time-dependent spin magnetization. In this work, we also introduce the coupling between electron spin and a homogenous magnetic field into the TDN2C framework to simulate the response of the electronic spin degrees of freedom to an external magnetic field. This is illustrated for several model systems, including the spin-frustrated Li{sub 3} molecule. Exact agreement is found between numerical and analytic results for Larmor precession of hydrogen and lithium atoms. The TDN2C method paves the way for the ab initio description of molecular spin transport and spintronics in the time domain.

  18. Washington DC Regions | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    for your school's state, county, city, or district. For more information, please visit the Middle School Coach page. Washington, DC Region Middle School Regional Washington, DC DC...

  19. Washington DC Regions | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    school's state, county, city, or district. For more information, please visit the High School Coach page. Washington, DC Region High School Regional Washington, DC Washington, DC...

  20. Energy Training Session for DC Elementary School Teachers

    Broader source: Energy.gov [DOE]

    Are you an elementary school teacher in Washington, DC, looking for creative ideas to introduce energy curriculum to your students?

  1. Energy Challenge Two: The WeatherizeDC Campaign

    Broader source: Energy.gov [DOE]

    WeatherizeDC is a campaign of The DC Project, a nonprofit based in Washington, D.C., founded by former leaders of the Obama for America campaign around a mission to advance economic and environmental justice by creating clean energy career opportunities for people who need them most.

  2. Q&A: Kristen Psaki of WeatherizeDC

    Broader source: Energy.gov [DOE]

    Roughly 20 percent of carbon emissions come from inefficient homes. The DC Project says it has found a way to mitigate emissions and create jobs, a winning combination. WeatherizeDC is the non-profit’s effort to use a community engagement model to help DC residents find green jobs and live a more energy efficient lifestyle.

  3. Ab initio multireference in-medium similarity renormalization...

    Office of Scientific and Technical Information (OSTI)

    group calculations of even calcium and nickel isotopes Citation Details In-Document Search Title: Ab initio multireference in-medium similarity renormalization group ...

  4. Ab Initio Calculations of Light-Ion Fusion Reactions (Conference...

    Office of Scientific and Technical Information (OSTI)

    Ab Initio Calculations of Light-Ion Fusion Reactions Citation Details In-Document Search ... Visit OSTI to utilize additional information resources in energy science and technology. A ...

  5. Ab initio thermodynamic approach to identify mixed solid sorbents...

    Office of Scientific and Technical Information (OSTI)

    for CO2 capture technology Citation Details In-Document Search Title: Ab initio thermodynamic approach to identify mixed solid sorbents for CO2 capture technology Because the ...

  6. A High Power Density DC-DC Converter for Distributed PV Architectures

    SciTech Connect (OSTI)

    Mohammed S. Agamy; Song Chi; Ahmed Elasser; Maja Harfman-Todorovic; Yan Jiang; Frank Mueller; Fengfeng Tao

    2012-06-01

    In order to maximize solar energy harvesting capabilities, power converters have to be designed for high efficiency and good MPPT and voltage/current performance. When many converters are used in distributed systems, power density also becomes an important factor as it allows for simpler system integration. In this paper a high power density string dc-dc converter suitable for distributed medium to large scale PV installation is presented. A simple partial power processing topology, implemented with all silicon carbide devices provides high efficiency as well as high power density. A 3.5kW, 100kHz converter is designed and tested to verify the proposed methods.

  7. Improved DC Gun and Insulator Assembly

    SciTech Connect (OSTI)

    Neubauer, Michael; Johnson, Rolland P

    2015-01-11

    Many user facilities such as synchrotron radiation light sources and free electron lasers rely on DC high voltage photoguns with internal field gradients as high as 10 to 15 MV/m. These high gradients often lead to field emission which poses serious problems for the photocathode used to generate the electron beam and the ceramic insulators used to bias the photocathode at high voltage. Ceramic insulators are difficult to manufacture, require long commissioning times, and have poor reliability, in part because energetic electrons bury themselves in the ceramic causing a buildup of charge and eventual puncture, and also because large diameter ceramics are difficult to braze reliably. The lifetimes of photo cathodes inside high current DC guns exhibiting field emission are limited to less than a hundred hours. Reducing the surface gradients on the metals reduces the field emission, which serves to maintain the required ultrahigh vacuum condition. A novel gun design with gradients around 5 MV/m and operating at 350 kV, a major improvement over existing designs, was proposed that allows for the in-situ replacement of photo cathodes in axially symmetric designs using inverted ceramics. In this project, the existing JLAB CEBAF asymmetric gun design with an inverted ceramic support was modeled and the beam dynamics characterized. An improved structure was designed that reduces the surface gradients and improves the beam optics. To minimize the surface gradients, a number of electrostatic gun designs were studied to determine the optimum configuration of the critical electrodes within the gun structure. Coating experiments were carried out to create a charge dissipative coating for cylindrical ceramics. The phase II proposal, which was not granted, included the design and fabrication of an axially symmetric DC Gun with an inverted ceramic that would operate with less than 5 MV/m at 350 kV and would be designed with an in-situ replaceable photo-cathode.

  8. ABS_PDv14.0 beta

    Energy Science and Technology Software Center (OSTI)

    2008-07-30

    ABS_PD stands for Adaptive Background Suppression and Peak Detection algorithm. This algorithm uses an iterative process to simultaneously estimate the background and identify peaks in signals where the bakground is slowly varying relative to the peaks to be detected. This is sone on an automated manner. The algorithm can be applied to many physical processes where the desired signal is superimposed on a background. The main advantage of this algorithm is that the background canmore » be variable and doesn't have to be known. All that is required is that a set of basis function,s capa ble of representing the background, needs to be defined. Depending on the signals to be processed, the basis functions can be as simple as low order polynomials. The current algorithm has polynomials built-in and allows for additional basis functions to be defined by the user. An additional advantage is that the algorithm does not use any derivatives in detection of peaks and thus allows for analysis of noisy data. The noise level in the data is automatically taken into account when setting thresholds for peak detection.« less

  9. DC OPC Comments. September 17, 2010 | Department of Energy

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

    OPC Comments. September 17, 2010 DC OPC Comments. September 17, 2010 Comments of the office of peoples counsel, washington DC in response to the department of energy's request for information concerning smart grid issues. PDF icon DC OPC Comments. September 17, 2010 More Documents & Publications Addressing Policy and Logistical Challenges to smart grid Implementation: eMeter Response to Department of Energy RFI Comments of DRSG to DOE Smart Grid RFI: Addressing Policy and Logistical

  10. Energy Incentive Programs, Washington DC | Department of Energy

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

    Washington DC Energy Incentive Programs, Washington DC Updated October 2015 What public-purpose-funded energy efficiency programs are available in the District of Columbia? In 2008, the Council of the District of Columbia passed the Clean and Affordable Energy Act (CAEA), establishing the DC Sustainable Energy Utility (DCSEU), whose mission is to provide energy assistance to low-income residents and support energy efficiency and renewable energy programs. The DCSEU, funded by the Sustainable

  11. VA-MD-DC Hydrogen Education for Decision Makers

    Broader source: Energy.gov [DOE]

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

  12. Low Cost, High Temperature, High Ripple Current DC Bus Capacitors

    Broader source: Energy.gov [DOE]

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

  13. DC Resistivity Survey (Schlumberger Array) At Raft River Geothermal...

    Open Energy Info (EERE)

    Raft River Geothermal Area (1974-1975) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: DC Resistivity Survey (Schlumberger Array) At Raft River...

  14. Simultaneous distribution of AC and DC power - Energy Innovation...

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

    buildings has significant energy savings potential through the elimination of inverters necessary to convert DC source power into AC (Alternating Current) as well as the...

  15. Washington DC Reliability Requirements and the Need to Operate...

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

    Washington DC Reliability Requirements and the Need to Operate Mirant's Potomac River Generation Station to Support Local Area Reliability (Oak Ridge National Laboratory 2005) ...

  16. DC Bus Capacitor Manufacturing Facility for Electric Drive Vehicles

    Broader source: Energy.gov [DOE]

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

  17. DC Resistivity Survey (Dipole-Dipole Array) At Coso Geothermal...

    Open Energy Info (EERE)

    Coso Geothermal Area (1977) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: DC Resistivity Survey (Dipole-Dipole Array) At Coso Geothermal Area...

  18. Persons Who Received the DC PSC's Emergency Petition and Complaint...

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

    ("DC PSC") Emergency Petition Comments on Department of Energy's Emergency Order To Resume Limited Operation at Mirant's Potomac River Generating Station and Proposed Mirant ...

  19. Electric Dipole Transitions Within The Ab initio No-Core Shell...

    Office of Scientific and Technical Information (OSTI)

    Electric Dipole Transitions Within The Ab initio No-Core Shell Model With Continuum Citation Details In-Document Search Title: Electric Dipole Transitions Within The Ab initio...

  20. Ab-initio Reaction Calculations for Carbon-12 (ESP Technical...

    Office of Scientific and Technical Information (OSTI)

    for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction Calculations for Carbon-12 (ESP ...

  1. AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES...

    Office of Scientific and Technical Information (OSTI)

    AND PRESSURES IN THE V-Cr SYSTEM Citation Details In-Document Search Title: AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES IN THE V-Cr SYSTEM Authors: Landa, A ...

  2. AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES...

    Office of Scientific and Technical Information (OSTI)

    AND PRESSURES IN THE V-Cr SYSTEM Citation Details In-Document Search Title: AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES IN THE V-Cr SYSTEM You are ...

  3. Development of a Novel Bi-Directional Isolated Multiple-Input DC-DC Converter

    SciTech Connect (OSTI)

    Li, H.

    2005-10-24

    There is vital need for a compact, lightweight, and efficient energy-storage system that is both affordable and has an acceptable cycle life for the large-scale production of electric vehicles (EVs) and hybrid electric vehicles (HEVs). Most of the current research employs a battery-storage unit (BU) combined with a fuel cell (FC) stack in order to achieve the operating voltage-current point of maximum efficiency for the FC system. A system block diagram is shown in Fig.1.1. In such a conventional arrangement, the battery is sized to deliver the difference between the energy required by the traction drive and the energy supplied by the FC system. Energy requirements can increase depending on the drive cycle over which the vehicle is expected to operate. Peak-power transients result in an increase of losses and elevated temperatures which result in a decrease in the lifetime of the battery. This research will propose a novel two-input direct current (dc) dc to dc converter to interface an additional energy-storage element, an ultracapacitor (UC), which is shown in Fig.1.2. It will assist the battery during transients to reduce the peak-power requirements of the battery.

  4. Read-out electronics for DC squid magnetic measurements

    DOE Patents [OSTI]

    Ganther, Jr., Kenneth R.; Snapp, Lowell D.

    2002-01-01

    Read-out electronics for DC SQUID sensor systems, the read-out electronics incorporating low Johnson noise radio-frequency flux-locked loop circuitry and digital signal processing algorithms in order to improve upon the prior art by a factor of at least ten, thereby alleviating problems caused by magnetic interference when operating DC SQUID sensor systems in magnetically unshielded environments.

  5. National Small Business Federal Contracting Summit-DC Fall Conference

    Broader source: Energy.gov [DOE]

    The 2014 National Small Business Federal Contracting Summit - DC Fall Conference is presented jointly by the National Association of Small Business Contractors (the Supplier Council of The American Small Business Chamber of Commerce) and the U.S. Women's Chamber of Commerce in Washington DC.

  6. Dynamic microscopic theory of fusion using DC-TDHF

    SciTech Connect (OSTI)

    Umar, A. S.; Oberacker, V. E.; Keser, R.; Maruhn, J. A.; Reinhard, P.-G.

    2012-10-20

    The density-constrained time-dependent Hartree-Fock (DC-TDHF) theory is a fully microscopic approach for calculating heavy-ion interaction potentials and fusion cross sections below and above the fusion barrier. We discuss recent applications of DC-TDHF method to fusion of light and heavy systems.

  7. Historical Material Analysis of DC745U Pressure Pads

    SciTech Connect (OSTI)

    Ortiz-Acosta, Denisse

    2012-07-30

    As part of the Enhance Surveillance mission, it is the goal to provide suitable lifetime assessment of stockpile materials. This report is an accumulation of historical publication on the DC745U material and their findings. It is the intention that the B61 LEP program uses this collection of data to further develop their understanding and potential areas of study. DC745U is a commercially available silicone elastomer consisting of dimethyl, methyl-phenyl, and methyl-vinyl siloxane repeat units. Originally, this material was manufactured by Dow Corning as Silastic{reg_sign} DC745U at their manufacturing facility in Kendallville, IN. Recently, Dow Corning shifted this material to the Xiameter{reg_sign} brand product line. Currently, DC745U is available through Xiameter{reg_sign} or Dow Corning's distributor R. D. Abbott Company. DC745U is cured using 0.5 wt% vinyl-specific peroxide curing agent known as Luperox 101 or Varox DBPH-50. This silicone elastomer is used in numerous parts, including two major components (outer pressure pads and aft cap support) in the W80 and as pressure pads on the B61. DC745U is a proprietary formulation, thus Dow Corning provides limited information on its composition and properties. Based on past experience with Dow Corning, DC745U is at risk of formulation changes without notification to the costumer. A formulation change for DC745U may have a significant impact because the network structure is a key variable in determining material properties. The purpose of this report is to provide an overview of historical DC745U studies and identify gaps that need to be addressed in future work. Some of the previous studies include the following: 1. Spectroscopic characterization of raw gum stock. 2. Spectroscopic, thermal, and mechanical studies on cured DC745U. 3. Nuclear Magnetic Resonance (NMR) and solvent swelling studies on DC745U with different crosslink densities. 4. NMR, solvent swelling, thermal, and mechanical studies on thermally aged DC745U. 5. NMR, solvent swelling, thermal, and mechanical studies on radiolytically aged DC745U. Each area is reviewed and further work is suggested to improve our understanding of DC745U for systems engineering, surveillance, aging assessments, and lifetime assessment.

  8. Application to Export Electric Energy OE Docket No. EA-351 DC...

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

    1 DC Energy Dakota, LLC Application to Export Electric Energy OE Docket No. EA-351 DC Energy Dakota, LLC Application from DC Energy Dakota, LLC to export electric energy to Canada...

  9. Linked Open Data Workshop in Washington, D.C. | OpenEI Community

    Open Energy Info (EERE)

    Linked Open Data Workshop in Washington, D.C. Home > Linked Open Data Workshop in Washington, D.C. > Posts by term > Linked Open Data Workshop in Washington, D.C. Content Group...

  10. Implementing the DC Mode in Cosmological Simulations with Supercomoving Variables

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

    Gnedin, Nickolay Y; Kravtsov, Andrey V; Rudd, Douglas H

    2011-06-02

    As emphasized by previous studies, proper treatment of the density fluctuation on the fundamental scale of a cosmological simulation volume - the 'DC mode' - is critical for accurate modeling of spatial correlations on scales ~> 10% of simulation box size. We provide further illustration of the effects of the DC mode on the abundance of halos in small boxes and show that it is straightforward to incorporate this mode in cosmological codes that use the 'supercomoving' variables. The equations governing evolution of dark matter and baryons recast with these variables are particularly simple and include the expansion factor, andmorehence the effect of the DC mode, explicitly only in the Poisson equation.less

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

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

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

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

  12. The Automotive X Prize rolls into Washington, DC 09/16/10 | Department...

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

    The Automotive X Prize rolls into Washington, DC 091610 The Automotive X Prize rolls into Washington, DC 091610 Addthis ProgressiveXPrizeEventSeptember162010Peraves187mpg...

  13. Electrodeposited Nanolaminated CoNiFe Cores for Ultracompact DC-DC Power Conversion

    SciTech Connect (OSTI)

    Kim, J; Kim, M; Herrault, F; Park, JY; Allen, MG

    2015-09-01

    Laminated metallic alloy cores (i.e., alternating layers of thin film metallic alloy and insulating material) of appropriate lamination thickness enable suppression of eddy current losses at high frequencies. Magnetic cores comprised of many such laminations yield substantial overall magnetic volume, thereby enabling high-power operation. Previously, we reported nanolaminated permalloy (Ni-80 Fe-20) cores based on a sequential electrodeposition technique, demonstrating negligible eddy current losses at peak flux densities up to 0.5 T and operating at megahertz frequencies. This paper demonstrates improved performance of nanolaminated cores comprising tens to hundreds of layers of 300-500-nm-thick CoNiFe films that exhibit superior magnetic properties (e.g., higher saturation flux density and lower coercivity) than permalloy. Nanolaminated CoNiFe cores can be operated up to a peak flux density of 0.9 T, demonstrating improved power handling capacity and exhibiting 30% reduced volumetric core loss, attributed to lowered hysteresis losses compared to the nanolaminated permalloy core of the same geometry. Operating these cores in a buck dc-dc power converter at a switching frequency of 1 MHz, the nanolaminated CoNiFe cores achieved a conversion efficiency exceeding 90% at output power levels up to 7 W, compared to an achieved permalloy core conversion efficiency below 86% at 6 W.

  14. DC Bus Capacitor Manufacturing Facility for Electric Drive Vehicles...

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

    0 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C. PDF icon apearravt028boan2010...

  15. Radiofrequency amplifier based on a dc superconducting quantum interference device

    DOE Patents [OSTI]

    Hilbert, C.; Martinis, J.M.; Clarke, J.

    1984-04-27

    A low noise radiofrequency amplifer, using a dc SQUID (superconducting quantum interference device) as the input amplifying element. The dc SQUID and an input coil are maintained at superconductivity temperatures in a superconducting shield, with the input coil inductively coupled to the superconducting ring of the dc SQUID. A radiofrequency signal from outside the shield is applied to the input coil, and an amplified radiofrequency signal is developed across the dc SQUID ring and transmitted to exteriorly of the shield. A power gain of 19.5 +- 0.5 dB has been achieved with a noise temperature of 1.0 +- 0.4 K at a frequency of 100 MHz.

  16. PowerCentsDC Program Final Report | Department of Energy

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

    In 2007 the Smart Meter Pilot Program Inc initiated PowerCentsDC to test the reactions and impacts on consumer behavior of smart prices, smart meters, and smart thermostats in the ...

  17. Radiofrequency amplifier based on a dc superconducting quantum interference device

    DOE Patents [OSTI]

    Hilbert, Claude; Martinis, John M.; Clarke, John

    1986-01-01

    A low noise radiofrequency amplifier (10), using a dc SQUID (superconducting quantum interference device) as the input amplifying element. The dc SQUID (11) and an input coil (12) are maintained at superconductivity temperatures in a superconducting shield (13), with the input coil (12) inductively coupled to the superconducting ring (17) of the dc SQUID (11). A radiofrequency signal from outside the shield (13) is applied to the input coil (12), and an amplified radiofrequency signal is developed across the dc SQUID ring (17) and transmitted to exteriorly of the shield (13). A power gain of 19.5.+-.0.5 dB has been achieved with a noise temperature of 1.0.+-.0.4 K. at a frequency of 100 MHz.

  18. National Science Bowl Brings Best and Brightest to DC

    Broader source: Energy.gov [DOE]

    The National Science Bowl Finals in Washington D.C. April 27 to 30 pit 113 high and middle school teams against one another answering questions Jeopardy-style about biology, chemistry, earth science, physics, astronomy, and math.

  19. ARM - Field Campaign - DC-8 Cloud Radar Campaign

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

    Contact Lihua Li (lihua@mirsl.ecs.umass.edu) or Steve Sekelsky (sekelsky@mirsl.ecs.umass.edu). Summary The NASA DC-8 was based at Tinker Air Force Base near Oklahoma City between ...

  20. Memorandum From: Leo Breton, Founder Energy Innovations Washington, DC

    Energy Savers [EERE]

    From: Leo Breton, Founder Energy Innovations Washington, DC 202-329-6813 Lbreton2000@yahoo.com To: expartecommunications@hq.doe.gov Subj: Complying with DOE's "ex parte communications" requirements Leo Breton, representing Energy Innovations of Washington, DC, a small company engaged in improving the energy efficiency of appliances, automobiles, and HVAC systems, requested a meeting with DOE regarding residential cooktop and range efficiency standards and related test procedures. A

  1. Washington DC Reliability Requirements and the Need to Operate Mirant's

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

    Potomac River Generation Station to Support Local Area Reliability (Oak Ridge National Laboratory 2005) | Department of Energy Washington DC Reliability Requirements and the Need to Operate Mirant's Potomac River Generation Station to Support Local Area Reliability (Oak Ridge National Laboratory 2005) Washington DC Reliability Requirements and the Need to Operate Mirant's Potomac River Generation Station to Support Local Area Reliability (Oak Ridge National Laboratory 2005) Pursuant to

  2. NREL: Energy Analysis - Washington D.C. Office Staff

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

    Washington D.C. Office The following SEAC staff are based in our Washington D.C. Office. They support a variety of programs and activities, and often are the liaison between the U.S. Department of Energy and staff based in Golden, Colorado. Team Lead: Robert Margolis Administrative Support: Catherine Burke (Golden) Austin Brown David J. Feldman Thomas Jenkin John (Jack) Mayernik Colin McMillan Kathleen Nawaz Monisha Shah Photo of Austin Brown. Austin Brown Senior Analyst (Strategic Planning)

  3. Energy Department Completes Cool Roof Installation on DC Headquarters

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

    Building to Save Money by Saving Energy | Department of Energy Completes Cool Roof Installation on DC Headquarters Building to Save Money by Saving Energy Energy Department Completes Cool Roof Installation on DC Headquarters Building to Save Money by Saving Energy December 14, 2010 - 12:00am Addthis Washington - Secretary Steven Chu today announced the completion of a new cool roof installation on the Department of Energy's Headquarters West Building. There was no incremental cost to adding

  4. User Science Exhibition March 28-29 in Washington DC

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

    Science Exhibition March 28-29 in Washington DC User Science Exhibition March 28-29 in Washington DC February 17, 2012 by Francesca Verdier This March 28 and 29 the National User Facilities Organization is holding a User Science Exhibition on Capitol Hill. All major DOE facilities will have posters and representatives there. NERSC users are welcome to attend. This event will highlight the significant and important role that scientific user facilities play in science education, economic

  5. A High Efficiency DC-DC Converter Topology Suitable for Distributed Large Commercial and Utility Scale PV Systems

    SciTech Connect (OSTI)

    Mohammed S. Agamy; Maja Harfman-Todorovic; Ahmed Elasser; Robert L. Steigerwald; Juan A. Sabate; Song Chi; Adam J. McCann; Li Zhang; Frank Mueller

    2012-09-01

    In this paper a DC-DC power converter for distributed photovoltaic plant architectures is presented. The proposed converter has the advantages of simplicity, high efficiency, and low cost. High efficiency is achieved by having a portion of the input PV power directly fed forward to the output without being processed by the converter. The operation of this converter also allows for a simplified maximum power point tracker design using fewer measurements

  6. Docket No. EERE- 2008-BT-STD-0005, RIN 1904-AB57 Ex partecommunicatio...

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

    RIN 1904-AB57 Ex parte communication DOE Meeting of June 13, 2012 Docket No. EERE- 2008-BT-STD-0005, RIN 1904-AB57 Ex parte communication DOE Meeting of June 13, 2012 ...

  7. Electric Dipole Transitions Within The Ab initio No-Core Shell...

    Office of Scientific and Technical Information (OSTI)

    Within The Ab initio No-Core Shell Model With Continuum Citation Details In-Document Search Title: Electric Dipole Transitions Within The Ab initio No-Core Shell Model With ...

  8. DC Microgrids Scoping Study. Estimate of Technical and Economic Benefits

    SciTech Connect (OSTI)

    Backhaus, Scott N.; Swift, Gregory William; Chatzivasileiadis, Spyridon; Tschudi, William; Glover, Steven; Starke, Michael; Wang, Jianhui; Yue, Meng; Hammerstrom, Donald

    2015-03-23

    Microgrid demonstrations and deployments are expanding in US power systems and around the world. Although goals are specific to each site, these microgrids have demonstrated the ability to provide higher reliability and higher power quality than utility power systems and improved energy utilization. The vast majority of these microgrids are based on AC power transfer because this has been the traditionally dominant power delivery scheme. Independently, manufacturers, power system designers and researchers are demonstrating and deploying DC power distribution systems for applications where the end-use loads are natively DC, e.g., computers, solid-state lighting, and building networks. These early DC applications may provide higher efficiency, added flexibility, reduced capital costs over their AC counterparts. Further, when onsite renewable generation, electric vehicles and storage systems are present, DC-based microgrids may offer additional benefits. Early successes from these efforts raises a question - can a combination of microgrid concepts and DC distribution systems provide added benefits beyond what has been achieved individually?

  9. An integrated flyback converter for DC uninterruptible power supply

    SciTech Connect (OSTI)

    Ma, K.W.; Lee, Y.S.

    1996-03-01

    An integrated flyback converter performing the combined functions of uninterruptible power supply (UPS) and switch-mode power supply (SMPS) is presented. This converter has a high voltage main power input and a low voltage backup battery input. DC output is obtained form the main input via a flyback converter during normal operation and from the backup battery via another flyback converter when input power fails. High conversion efficiency is achieved in normal, backup, and charging modes as there is only a single dc-dc conversion in each mode. The converter circuit is very simple, with two switching transistors, a relay for mode switching, and a single magnetic structure only. This new design offers substantial improvement in efficiency, size, and cost over the conventional cascade of UPS and SMPS due to single voltage conversion, high frequency switching, and removal of design redundancy. The operation, design, analysis, and experimental results of the converter are presented.

  10. Ab initio calculations of light-ion fusion reactions

    SciTech Connect (OSTI)

    Hupin, G.; Quaglioni, S.; Navratil, P.

    2012-10-20

    The exact treatment of nuclei starting from the constituent nucleons and the fundamental interactions among them has been a long-standing goal in nuclear physics. Above all nuclear scattering and reactions, which require the solution of the many-body quantum-mechanical problem in the continuum, represent an extraordinary theoretical as well as computational challenge for ab initio approaches. The ab initio No-Core Shell Model/Resonating-Group Method (NCSM/RGM) complements a microscopic cluster technique with the use of realistic interactions, and a microscopic and consistent description of the nucleon clusters. This approach is capable of describing simultaneously both bound and scattering states in light nuclei. Recent applications to light nuclei scattering and fusion reactions relevant to energy production in stars and Earth based fusion facilities, such as the deuterium-{sup 3}He fusion, are presented. Progress toward the inclusion of the three nucleon force into the formalism is outlined.

  11. Nuclear magnetic resonance experiments with dc SQUID amplifiers

    SciTech Connect (OSTI)

    Heaney, M.B. . Dept. of Physics Lawrence Berkeley Lab., CA )

    1990-11-01

    The development and fabrication of dc SQUIDs (Superconducting QUantum Interference Devices) with Nb/Al{sub 2}O{sub 3}/Nb Josephson junctions is described. A theory of the dc SQUID as a radio-frequency amplifier is presented, with an optimization strategy that accounts for the loading and noise contributions of the postamplifier and maximizes the signal-to-noise ratio of the total system. The high sensitivity of the dc SQUID is extended to high field NMR. A dc SQUID is used as a tuned radio-frequency amplifier to detect pulsed nuclear magnetic resonance at 32 MHz from a metal film in a 3.5 Tesla static field. A total system noise temperature of 11 K has been achieved, at a bath temperature of 4.2 K. The minimum number of nuclear Bohr magnetons observable from a free precession signal after a single pulse is about 2 {times} 10{sup 17} in a bandwidth of 25 kHz. In a separate experiment, a dc SQUID is used as a rf amplifier in a NQR experiment to observe a new resonance response mechanism. The net electric polarization of a NaClO{sub 3} crystal due to the precessing electric quadrupole moments of the Cl nuclei is detected at 30 MHz. The sensitivity of NMR and NQR spectrometers using dc SQUID amplifiers is compared to the sensitivity of spectrometers using conventional rf amplifiers. A SQUID-based spectrometer has a voltage sensitivity which is comparable to the best achieved by a FET-based spectrometer, at these temperatures and operating frequencies.

  12. Ab Initio Calculations of Even Oxygen Isotopes with Chiral

    Office of Scientific and Technical Information (OSTI)

    Two-Plus-Three-Nucleon Interactions (Journal Article) | SciTech Connect Initio Calculations of Even Oxygen Isotopes with Chiral Two-Plus-Three-Nucleon Interactions Citation Details In-Document Search Title: Ab Initio Calculations of Even Oxygen Isotopes with Chiral Two-Plus-Three-Nucleon Interactions Authors: Hergert, H. ; Binder, S. ; Calci, A. ; Langhammer, J. ; Roth, R. Publication Date: 2013-06-10 OSTI Identifier: 1102833 Type: Publisher's Accepted Manuscript Journal Name: Physical

  13. Ab initio multireference in-medium similarity renormalization group

    Office of Scientific and Technical Information (OSTI)

    calculations of even calcium and nickel isotopes (Journal Article) | SciTech Connect initio multireference in-medium similarity renormalization group calculations of even calcium and nickel isotopes Citation Details In-Document Search Title: Ab initio multireference in-medium similarity renormalization group calculations of even calcium and nickel isotopes Authors: Hergert, H. ; Bogner, S. K. ; Morris, T. D. ; Binder, S. ; Calci, A. ; Langhammer, J. ; Roth, R. Publication Date: 2014-10-23

  14. A Multilevel Voltage-Source Inverter with Separate DC Sources

    Office of Scientific and Technical Information (OSTI)

    Multilevel Voltage-Source Inverter with Separate DC Sources for Static Var Generation Fang Zheng Peng University of Tennessee, Knoxville Oak Ridge National Laboratory Oak Ridge, Tennessee 37831-7258 Phone: 615-576-7261 P.O. BOX 2003, K-l008F, M / S 7258 Abstract - A new multilevel voltage-source inverter with separate dc sources is proposed for high-voltage, high-power applications, such as flexible ac transmission systems (FACTS) including static var generation (SVG), power line conditioning,

  15. DC Fast Charging at the Workplace | Department of Energy

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

    DC Fast Charging at the Workplace DC Fast Charging at the Workplace Most employers offering plug-in electric vehicle (PEV) charging install Level 1 or Level 2 charging stations, but there are some cases where employers may want to consider installing DCFC. Level 1 and Level 2 charging can meet the needs of most employees that are parked during an average workday. During one hour of charging, Level 1 charging can replenish 2 to 5 miles of range and Level 2 charging can add about 10-20 miles of

  16. DC Students Take On Regional Science Bowl Competition | Department of

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

    Energy DC Students Take On Regional Science Bowl Competition DC Students Take On Regional Science Bowl Competition March 10, 2014 - 4:47pm Addthis The high school regional science bowl competition was held on Saturday, February 22, 2014 at the U.S. Department of Energy. The winning team was Woodrow Wilson High School. The high school regional science bowl competition was held on Saturday, February 22, 2014 at the U.S. Department of Energy. The winning team was Woodrow Wilson High School.

  17. Graphite electrode DC arc furnace. Innovative technology summary report

    SciTech Connect (OSTI)

    1999-05-01

    The Graphite Electrode DC Arc Furnace (DC Arc) is a high-temperature thermal process, which has been adapted from a commercial technology, for the treatment of mixed waste. A DC Arc Furnace heats waste to a temperature such that the waste is converted into a molten form that cools into a stable glassy and/or crystalline waste form. Hazardous organics are destroyed through combustion or pyrolysis during the process and the majority of the hazardous metals and radioactive components are incorporated in the molten phase. The DC Arc Furnace chamber temperature is approximately 593--704 C and melt temperatures are as high as 1,500 C. The DC Arc system has an air pollution control system (APCS) to remove particulate and volatiles from the offgas. The advantage of the DC Arc is that it is a single, high-temperature thermal process that minimizes the need for multiple treatment systems and for extensive sorting/segregating of large volumes of waste. The DC Arc has the potential to treat a wide range of wastes, minimize the need for sorting, reduce the final waste volumes, produce a leach resistant waste form, and destroy organic contaminants. Although the DC arc plasma furnace exhibits great promise for treating the types of mixed waste that are commonly present at many DOE sites, several data and technology deficiencies were identified by the Mixed Waste Focus Area (MWFA) regarding this thermal waste processing technique. The technology deficiencies that have been addressed by the current studies include: establishing the partitioning behavior of radionuclides, surrogates, and hazardous metals among the product streams (metal, slag, and offgas) as a function of operating parameters, including melt temperature, plenum atmosphere, organic loading, chloride concentration, and particle size; demonstrating the efficacy of waste product removal systems for slag and metal phases; determining component durability through test runs of extended duration, evaluating the effect of feed composition variations on process operating conditions and slag product performance; and collecting mass balance and operating data to support equipment and instrument design.

  18. Ab Initio Nuclear Structure and Reaction Calculations for Rare Isotopes

    SciTech Connect (OSTI)

    Draayer, Jerry P.

    2014-09-28

    We have developed a novel ab initio symmetry-adapted no-core shell model (SA-NCSM), which has opened the intermediate-mass region for ab initio investigations, thereby providing an opportunity for first-principle symmetry-guided applications to nuclear structure and reactions for nuclear isotopes from the lightest p-shell systems to intermediate-mass nuclei. This includes short-lived proton-rich nuclei on the path of X-ray burst nucleosynthesis and rare neutron-rich isotopes to be produced by the Facility for Rare Isotope Beams (FRIB). We have provided ab initio descriptions of high accuracy for low-lying (including collectivity-driven) states of isotopes of Li, He, Be, C, O, Ne, Mg, Al, and Si, and studied related strong- and weak-interaction driven reactions that are important, in astrophysics, for further understanding stellar evolution, X-ray bursts and triggering of s, p, and rp processes, and in applied physics, for electron and neutrino-nucleus scattering experiments as well as for fusion ignition at the National Ignition Facility (NIF).

  19. High voltage dc--dc converter with dynamic voltage regulation and decoupling during load-generated arcs

    DOE Patents [OSTI]

    Shimer, D.W.; Lange, A.C.

    1995-05-23

    A high-power power supply produces a controllable, constant high voltage output under varying and arcing loads. The power supply includes a voltage regulator, an inductor, an inverter for producing a high frequency square wave current of alternating polarity, an improved inverter voltage clamping circuit, a step up transformer, an output rectifier for producing a dc voltage at the output of each module, and a current sensor for sensing output current. The power supply also provides dynamic response to varying loads by controlling the voltage regulator duty cycle and circuitry is provided for sensing incipient arc currents at the output of the power supply to simultaneously decouple the power supply circuitry from the arcing load. The power supply includes a plurality of discrete switching type dc--dc converter modules. 5 Figs.

  20. High voltage dc-dc converter with dynamic voltage regulation and decoupling during load-generated arcs

    DOE Patents [OSTI]

    Shimer, Daniel W.; Lange, Arnold C.

    1995-01-01

    A high-power power supply produces a controllable, constant high voltage output under varying and arcing loads. The power supply includes a voltage regulator, an inductor, an inverter for producing a high frequency square wave current of alternating polarity, an improved inverter voltage clamping circuit, a step up transformer, an output rectifier for producing a dc voltage at the output of each module, and a current sensor for sensing output current. The power supply also provides dynamic response to varying loads by controlling the voltage regulator duty cycle and circuitry is provided for sensing incipient arc currents at the output of the power supply to simultaneously decouple the power supply circuitry from the arcing load. The power supply includes a plurality of discrete switching type dc--dc converter modules.

  1. National Energy Education Summit to Electrify D.C.

    Broader source: Energy.gov [DOE]

    On January 26, energy educators from across the country will convene in Washington, D.C., to address the need for nationwide energy literacy. Join us for the National Energy Education Summit, hosted by the Council of Energy Research and Education Leaders.

  2. Electrostatic coalescence system with independent AC and DC hydrophilic electrodes

    DOE Patents [OSTI]

    Hovarongkura, A. David; Henry, Jr., Joseph D.

    1981-01-01

    An improved electrostatic coalescence system is provided in which independent AC and DC hydrophilic electrodes are employed to provide more complete dehydration of an oil emulsion. The AC field is produced between an AC electrode array and the water-oil interface wherein the AC electrode array is positioned parallel to the interface which acts as a grounded electrode. The emulsion is introduced into the AC field in an evenly distributed manner at the interface. The AC field promotes drop-drop and drop-interface coalescence of the water phase in the entering emulsion. The continuous oil phase passes upward through the perforated AC electrode array and enters a strong DC field produced between closely spaced DC electrodes in which small dispersed droplets of water entrained in the continuous phase are removed primarily by collection at hydrophilic DC electrodes. Large droplets of water collected by the electrodes migrate downward through the AC electrode array to the interface. All phase separation mechanisms are utilized to accomplish more complete phase separation.

  3. Recovery Act: Integrated DC-DC Conversion for Energy-Efficient Multicore Processors

    SciTech Connect (OSTI)

    Shepard, Kenneth L

    2013-03-31

    In this project, we have developed the use of thin-film magnetic materials to improve in energy efficiency of digital computing applications by enabling integrated dc-dc power conversion and management with on-chip power inductors. Integrated voltage regulators also enables fine-grained power management, by providing dynamic scaling of the supply voltage in concert with the clock frequency of synchronous logic to throttle power consumption at periods of low computational demand. The voltage converter generates lower output voltages during periods of low computational performance requirements and higher output voltages during periods of high computational performance requirements. Implementation of integrated power conversion requires high-capacity energy storage devices, which are generally not available in traditional semiconductor processes. We achieve this with integration of thin-film magnetic materials into a conventional complementary metal-oxide-semiconductor (CMOS) process for high-quality on-chip power inductors. This project includes a body of work conducted to develop integrated switch-mode voltage regulators with thin-film magnetic power inductors. Soft-magnetic materials and inductor topologies are selected and optimized, with intent to maximize efficiency and current density of the integrated regulators. A custom integrated circuit (IC) is designed and fabricated in 45-nm CMOS silicon-on-insulator (SOI) to provide the control system and power-train necessary to drive the power inductors, in addition to providing a digital load for the converter. A silicon interposer is designed and fabricated in collaboration with IBM Research to integrate custom power inductors by chip stacking with the 45-nm CMOS integrated circuit, enabling power conversion with current density greater than 10A/mm2. The concepts and designs developed from this work enable significant improvements in performance-per-watt of future microprocessors in servers, desktops, and mobile devices. These new approaches to scaled voltage regulation for computing devices also promise significant impact on electricity consumption in the United States and abroad by improving the efficiency of all computational platforms. In 2006, servers and datacenters in the United States consumed an estimated 61 billion kWh or about 1.5% of the nation's total energy consumption. Federal Government servers and data centers alone accounted for about 10 billion kWh, for a total annual energy cost of about $450 million. Based upon market growth and efficiency trends, estimates place current server and datacenter power consumption at nearly 85 billion kWh in the US and at almost 280 billion kWh worldwide. Similar estimates place national desktop, mobile and portable computing at 80 billion kWh combined. While national electricity utilization for computation amounts to only 4% of current usage, it is growing at a rate of about 10% a year with volume servers representing one of the largest growth segments due to the increasing utilization of cloud-based services. The percentage of power that is consumed by the processor in a server varies but can be as much as 30% of the total power utilization, with an additional 50% associated with heat removal. The approaches considered here should allow energy efficiency gains as high as 30% in processors for all computing platforms, from high-end servers to smart phones, resulting in a direct annual energy savings of almost 15 billion kWh nationally, and 50 billion kWh globally. The work developed here is being commercialized by the start-up venture, Ferric Semiconductor, which has already secured two Phase I SBIR grants to bring these technologies to the marketplace.

  4. Ab initio Study of He Stability in hcp-Ti

    SciTech Connect (OSTI)

    Dai, Yunya; Yang, Li; Peng, SM; Long, XG; Gao, Fei; Zu, Xiaotao T.

    2010-12-20

    The stability of He in hcp-Ti was studied using ab initio method based on density functional theory. The results indicate that a single He atom prefers to occupy the tetrahedral site rather than the octahedral site. The interaction of He defects with Ti atoms has been used to explain the relative stabilities of He point defects in hcp-Ti. The relative stability of He defects in hcp-Ti is useful for He clustering and bubble nucleation in metal tritides, which provides the basis for development of improved atomistic models.

  5. Ab-initio study of transition metal hydrides

    SciTech Connect (OSTI)

    Sharma, Ramesh; Shukla, Seema Dwivedi, Shalini Sharma, Yamini

    2014-04-24

    We have performed ab initio self consistent calculations based on Full potential linearized augmented plane wave (FP-LAPW) method to investigate the optical and thermal properties of yttrium hydrides. From the band structure and density of states, the optical absorption spectra and specific heats have been calculated. The band structure of Yttrium metal changes dramatically due to hybridization of Y sp orbitals with H s orbitals and there is a net charge transfer from metal to hydrogen site. The electrical resistivity and specific heats of yttrium hydrides are lowered but the thermal conductivity is slightly enhanced due to increase in scattering from hydrogen sites.

  6. Energy Secretary Moniz's Remarks at CSIS in Washington D.C. on...

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

    CSIS in Washington D.C. on Energy Security 40 Years after the Embargo - As Delivered Energy Secretary Moniz's Remarks at CSIS in Washington D.C. on Energy Security 40 Years after ...

  7. GRR Update Meeting scheduled for 9/13 in D.C. | OpenEI Community

    Open Energy Info (EERE)

    GRR Update Meeting scheduled for 913 in D.C. Home > Blogs > Kyoung's blog Kyoung's picture Submitted by Kyoung(150) Contributor 6 September, 2012 - 08:51 D.C. GRR meeting update...

  8. Global DC Power System Market Trends, Analysis 2015-2019 | OpenEI...

    Open Energy Info (EERE)

    either positive or negative. It can be powered from an AC or DC source. A basic DC power system consists of a transformer, a rectifier, a filter, and a regulator. All these...

  9. Global DC Power System Market Key Vendors | OpenEI Community

    Open Energy Info (EERE)

    either positive or negative. It can be powered from an AC or DC source. A basic DC power system consists of a transformer, a rectifier, a filter, and a regulator. All these...

  10. Fault Detection and Isolation in Low-Voltage DC Distribution System -

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

    Energy Innovation Portal Electricity Transmission Electricity Transmission Building Energy Efficiency Building Energy Efficiency Find More Like This Return to Search Fault Detection and Isolation in Low-Voltage DC Distribution System University of Colorado Contact CU About This Technology Publications: PDF Document Publication CU2941D-3222D (DC Microgrid) Marketing Summary.pdf (172 KB) Conceptual diagram of a DC distribution system Conceptual diagram of a DC distribution system Technology

  11. Proceedings of the National Hydrogen Energy Roadmap Workshop: Washington, DC; April 2-3, 2002

    Broader source: Energy.gov [DOE]

    Summary of the Proceedings of the National Hydrogen Energy Roadmap Workshop held April 2-3, 2002 in Washington, DC.

  12. Secretary Moniz's Remarks at the Powering Africa Summit in Washington, D.C.-- As Delivered

    Broader source: Energy.gov [DOE]

    Secretary Moniz's remarks, as delivered, at the Power Africa Summit in Washington, D.C. on January 29, 2015.

  13. Demonstration of LED Retrofit Lamps at the Smithsonian Art Museum, Washington, DC

    SciTech Connect (OSTI)

    Miller, N. J.; Rosenfeld, S. M.

    2012-06-01

    GATEWAY program report on a demonstration of LED retrofit lamps at the Smithsonian American Art Museum in Washington, DC.

  14. Interviews in Washington, DC for Albert Einstein Fellowship Semi-Finalists

    Broader source: Energy.gov [DOE]

    Selected semi-finalists in the Albert Einstein Distinguished Educator Fellowship are invited to DC for interviews.

  15. Ab Initio Thermodynamic Model for Magnesium Carbonates and Hydrates

    SciTech Connect (OSTI)

    Chaka, Anne M.; Felmy, Andrew R.

    2014-03-28

    An ab initio thermodynamic framework for predicting properties of hydrated magnesium carbonate minerals has been developed using density-functional theory linked to macroscopic thermodynamics through the experimental chemical potentials for MgO, water, and CO2. Including semiempirical dispersion via the Grimme method and small corrections to the generalized gradient approximation of Perdew, Burke, and Ernzerhof for the heat of formation yields a model with quantitative agreement for the benchmark minerals brucite, magnesite, nesquehonite, and hydromagnesite. The model shows how small differences in experimental conditions determine whether nesquehonite, hydromagnesite, or magnesite is the result of laboratory synthesis from carbonation of brucite, and what transformations are expected to occur on geological time scales. Because of the reliance on parameter-free first principles methods, the model is reliably extensible to experimental conditions not readily accessible to experiment and to any mineral composition for which the structure is known or can be hypothesized, including structures containing defects, substitutions, or transitional structures during solid state transformations induced by temperature changes or processes such as water, CO2, or O2 diffusion. Demonstrated applications of the ab initio thermodynamic framework include an independent means to evaluate differences in thermodynamic data for lansfordite, predicting the properties of Mg analogs of Ca-based hydrated carbonates monohydrocalcite and ikaite which have not been observed in nature, and an estimation of the thermodynamics of barringtonite from the stoichiometry and a single experimental observation.

  16. Three-cluster dynamics within an ab initio framework

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

    Quaglioni, Sofia; Romero-Redondo, Carolina; Navratil, Petr

    2013-09-26

    In this study, we introduce a fully antisymmetrized treatment of three-cluster dynamics within the ab initio framework of the no-core shell model/resonating-group method. Energy-independent nonlocal interactions among the three nuclear fragments are obtained from realistic nucleon-nucleon interactions and consistent ab initio many-body wave functions of the clusters. The three-cluster Schrödinger equation is solved with bound-state boundary conditions by means of the hyperspherical-harmonic method on a Lagrange mesh. We discuss the formalism in detail and give algebraic expressions for systems of two single nucleons plus a nucleus. Using a soft similarity-renormalization-group evolved chiral nucleon-nucleon potential, we apply the method to amore » 4He+n+n description of 6He and compare the results to experiment and to a six-body diagonalization of the Hamiltonian performed within the harmonic-oscillator expansions of the no-core shell model. Differences between the two calculations provide a measure of core (4He) polarization effects.« less

  17. A Segmented Drive System with a Small DC Bus Capacitor | Department of

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

    Energy apep_08_su.pdf More Documents & Publications A Segmented Drive Inverter Topology with a Small DC Bus Capacitor A Segmented Drive Inverter Topology with a Small DC Bus Capacitor A Segmented Drive Inverter Topology with a Small DC Bus Capacitor

  18. Multilevel cascade voltage source inverter with seperate DC sources

    DOE Patents [OSTI]

    Peng, Fang Zheng (Knoxville, TN); Lai, Jih-Sheng (Blacksburg, VA)

    2002-01-01

    A multilevel cascade voltage source inverter having separate DC sources is described herein. This inverter is applicable to high voltage, high power applications such as flexible AC transmission systems (FACTS) including static VAR generation (SVG), power line conditioning, series compensation, phase shifting and voltage balancing and fuel cell and photovoltaic utility interface systems. The M-level inverter consists of at least one phase wherein each phase has a plurality of full bridge inverters equipped with an independent DC source. This inverter develops a near sinusoidal approximation voltage waveform with only one switching per cycle as the number of levels, M, is increased. The inverter may have either single-phase or multi-phase embodiments connected in either wye or delta configurations.

  19. Multilevel cascade voltage source inverter with separate DC sources

    DOE Patents [OSTI]

    Peng, F.Z.; Lai, J.S.

    1997-06-24

    A multilevel cascade voltage source inverter having separate DC sources is described herein. This inverter is applicable to high voltage, high power applications such as flexible AC transmission systems (FACTS) including static VAR generation (SVG), power line conditioning, series compensation, phase shifting and voltage balancing and fuel cell and photovoltaic utility interface systems. The M-level inverter consists of at least one phase wherein each phase has a plurality of full bridge inverters equipped with an independent DC source. This inverter develops a near sinusoidal approximation voltage waveform with only one switching per cycle as the number of levels, M, is increased. The inverter may have either single-phase or multi-phase embodiments connected in either wye or delta configurations. 15 figs.

  20. Multilevel cascade voltage source inverter with seperate DC sources

    DOE Patents [OSTI]

    Peng, Fang Zheng; Lai, Jih-Sheng

    2001-04-03

    A multilevel cascade voltage source inverter having separate DC sources is described herein. This inverter is applicable to high voltage, high power applications such as flexible AC transmission systems (FACTS) including static VAR generation (SVG), power line conditioning, series compensation, phase shifting and voltage balancing and fuel cell and photovoltaic utility interface systems. The M-level inverter consists of at least one phase wherein each phase has a plurality of full bridge inverters equipped with an independent DC source. This inverter develops a near sinusoidal approximation voltage waveform with only one switching per cycle as the number of levels, M, is increased. The inverter may have either single-phase or multi-phase embodiments connected in either wye or delta configurations.

  1. Multilevel cascade voltage source inverter with seperate DC sources

    DOE Patents [OSTI]

    Peng, Fang Zheng; Lai, Jih-Sheng

    1997-01-01

    A multilevel cascade voltage source inverter having separate DC sources is described herein. This inverter is applicable to high voltage, high power applications such as flexible AC transmission systems (FACTS) including static VAR generation (SVG), power line conditioning, series compensation, phase shifting and voltage balancing and fuel cell and photovoltaic utility interface systems. The M-level inverter consists of at least one phase wherein each phase has a plurality of full bridge inverters equipped with an independent DC source. This inverter develops a near sinusoidal approximation voltage waveform with only one switching per cycle as the number of levels, M, is increased. The inverter may have either single-phase or multi-phase embodiments connected in either wye or delta configurations.

  2. Modeling Microinverters and DC Power Optimizers in PVWatts

    SciTech Connect (OSTI)

    MacAlpine, S.; Deline, C.

    2015-02-01

    Module-level distributed power electronics including microinverters and DC power optimizers are increasingly popular in residential and commercial PV systems. Consumers are realizing their potential to increase design flexibility, monitor system performance, and improve energy capture. It is becoming increasingly important to accurately model PV systems employing these devices. This document summarizes existing published documents to provide uniform, impartial recommendations for how the performance of distributed power electronics can be reflected in NREL's PVWatts calculator (http://pvwatts.nrel.gov/).

  3. UNITED STATES DEPARTMENT OF ENERGY Washington, D.C.

    Energy Savers [EERE]

    Before the UNITED STATES DEPARTMENT OF ENERGY Washington, D.C. In the Matter of Request for Information ) Regarding Reducing Regulatory Burden ) ''Regulatory Burden RFI" 5 CFR Chapter XXII ) 10 CFR Chapters II, III, and X ) COMMENTS OF THE CONSUMER ELECTRONICS ASSOCIATION Introduction The Consumer Electronics Association (CEA) is the preeminent trade association promoting growth in the $285 billion U.S. consumer electronics industry. CEA represents more than 2,000 corporate members involved

  4. DC Microgrids Scoping Study: Estimate of Technical and Economic Benefits

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

    (March 2015) | Department of Energy Microgrids Scoping Study: Estimate of Technical and Economic Benefits (March 2015) DC Microgrids Scoping Study: Estimate of Technical and Economic Benefits (March 2015) Microgrid demonstrations and deployments have shown the ability of microgrids to provide higher reliability and higher power quality than utility power systems and improved energy utilization. The vast majority of these microgrids are based on AC power, but some manufacturers, power system

  5. dc-plasma-sprayed electronic-tube device

    DOE Patents [OSTI]

    Meek, T.T.

    1982-01-29

    An electronic tube and associated circuitry which is produced by dc plasma arc spraying techniques is described. The process is carried out in a single step automated process whereby both active and passive devices are produced at very low cost. The circuitry is extremely reliable and is capable of functioning in both high radiation and high temperature environments. The size of the electronic tubes produced are more than an order of magnitude smaller than conventional electronic tubes.

  6. Synthesis of silicon nanotubes by DC arc plasma method

    SciTech Connect (OSTI)

    Tank, C. M.; Bhoraskar, S. V.; Mathe, V. L.

    2012-06-05

    Plasma synthesis is a novel technique of synthesis of nanomaterials as they provide high rate of production and promote metastable reactions. Very thin walled silicon nanotubes were synthesized in a DC direct arc thermal plasma reactor. The effect of parameters of synthesis i.e. arc current and presence of hydrogen on the morphology of Si nanoparticles is reported. Silicon nanotubes were characterized by Transmission Electron Microscopy (TEM), Local Energy Dispersive X-ray analysis (EDAX), and Scanning Tunneling Microscopy (STM).

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

    Broader source: Energy.gov [DOE]

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

  8. A KINE-CHEMICAL INVESTIGATION OF THE AB DOR MOVING GROUP 'STREAM' (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect A KINE-CHEMICAL INVESTIGATION OF THE AB DOR MOVING GROUP 'STREAM' Citation Details In-Document Search Title: A KINE-CHEMICAL INVESTIGATION OF THE AB DOR MOVING GROUP 'STREAM' The AB Dor Moving Group consists of a 'nucleus' of {approx}10 stars at d {approx_equal} 20 pc, along with dozens of purported 'stream' members distributed across the sky. We perform a chemical and kinematic analysis of a subsample of AB Dor stream stars to test whether they constitute a

  9. Ab Initio Rational Design of New MOFs for Separations and Flue Gas Capture

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

    | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Ab Initio Rational Design of New MOFs for Separations and Flue Gas Capture

  10. Ab initio Carbon Capture in Open-Site Metal Organic Frameworks | Center for

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

    Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Ab initio Carbon Capture in Open-Site Metal Organic Frameworks

  11. Multiphase soft switched DC/DC converter and active control technique for fuel cell ripple current elimination

    DOE Patents [OSTI]

    Lai, Jih-Sheng (Blacksburg, VA); Liu, Changrong (Sunnyvale, CA); Ridenour, Amy (Salem, VA)

    2009-04-14

    DC/DC converter has a transformer having primary coils connected to an input side and secondary coils connected to an output side. Each primary coil connects a full-bridge circuit comprising two switches on two legs, the primary coil being connected between the switches on each leg, each full-bridge circuit being connected in parallel wherein each leg is disposed parallel to one another, and the secondary coils connected to a rectifying circuit. An outer loop control circuit that reduces ripple in a voltage reference has a first resistor connected in series with a second resistor connected in series with a first capacitor which are connected in parallel with a second capacitor. An inner loop control circuit that reduces ripple in a current reference has a third resistor connected in series with a fourth resistor connected in series with a third capacitor which are connected in parallel with a fourth capacitor.

  12. Application to Export Electric Energy OE Docket No. EA-351 DC Energy

    Energy Savers [EERE]

    Dakota, LLC | Department of Energy 1 DC Energy Dakota, LLC Application to Export Electric Energy OE Docket No. EA-351 DC Energy Dakota, LLC Application from DC Energy Dakota, LLC to export electric energy to Canada PDF icon Application to Export Electric Energy OE Docket No. EA-351 DC Energy Dakota, LLC More Documents & Publications EA-351 DC Energy Dakota, LLC Application to export electric energy OE Docket No. EA-210-B PPL EnergyPlus, LLC Application to Export Electric Energy OE Docket

  13. Ab initio study of helium behavior in titanium tritides

    SciTech Connect (OSTI)

    Liang, J. H.; Dai, Yunya; Yang, Li; Peng, SM; Fan, K. M.; Long, XG; Zhou, X. S.; Zu, Xiaotao; Gao, Fei

    2013-03-01

    Ab initio calculations based on density functional theory have been performed to investigate the relative stability of titanium tritides and the helium behavior in stable titanium tritides. The results show that the β-phase TiT1.5 without two tritium along the [100] direction (TiT1.5[100]) is more stable than other possible structures. The stability of titanium tritides decrease with the increased generation of helium in TiT1.5[100]. In addition, helium generated by tritium decay prefers locating at a tetrahedral site, and favorably migrates between two neighbor vacant tetrahedral sites through an intermediate octahedral site in titanium tritides, with a migration energy of 0.23 eV. Furthermore, helium is easily accumulated on a (100) plane in β-phase TiT1.5[100].

  14. Non-stoichiometric AB5 alloys for metal hydride electrodes

    DOE Patents [OSTI]

    Reilly, James J.; Adzic, Gordana D.; Johnson, John R.; Vogt, Thomas; McBreen, James

    2001-01-01

    The present invention provides a non-stoichiometric alloy comprising a composition having the formula AB.sub.5+X an atomic ratio wherein A is selected from the group consisting of the rare earth metals, yttrium, mischmetal, or a combination thereof; B is nickel and tin, or nickel and tin and at least a third element selected from the group consisting of the elements in group IVA of the periodic table, aluminum, manganese, iron, cobalt, copper, antimony or a combination thereof; X is greater than 0 and less than or equal to about 2.0; and wherein at least one substituted A site is occupied by at least one of the B elements. An electrode incorporating said alloy and an electrochemical cell incorporating said electrode are also described.

  15. Bedrock Groundwaters -- Upgradient -- 92-06a,b

    Office of Legacy Management (LM)

    09 This page intentionally left blank Bedrock Groundwaters -- Upgradient -- 92-06 a,b ____________________________________________ Analyte Unit 10/30/00 10/10/01 ____________________________________________ Field Measurements Alkalinity mg/L 189 182 Conductivity c μmhos/cm 560 560 DO c mg/L 1.4 -- ORP c mV -51 -46 pH c s.u. 7.24 7.52 Temperature c C 11.3 11.6 Turbidity c NTU 0.84 4.3 Common Ions Ca mg/L 72.8 69.3 Chloride mg/L 2.15 2.44 Fluoride μg/L 124 242 Hardness mg/L 225 214 K mg/L 1.98

  16. Engine with hydraulic fuel injection and ABS circuit using a single high pressure pump

    DOE Patents [OSTI]

    Bartley, Bradley E.; Blass, James R.; Gibson, Dennis H.

    2001-01-01

    An engine system comprises a hydraulically actuated fuel injection system and an ABS circuit connected via a fluid flow passage that provides hydraulic fluid to both the fuel injection system and to the ABS circuit. The hydraulically actuated system includes a high pressure pump. The fluid control passage is in fluid communication with an outlet from the high pressure pump.

  17. Hardwired Control Changes For NSTX DC Power Feeds

    SciTech Connect (OSTI)

    Ramakrishnan, S.

    2013-06-28

    The National Spherical Torus Experiment (NSTX) has been designed and installed in the existing facilities at Princeton Plasma Physics Laboratory (PPPL). Most of the hardware, plant facilities, auxiliary sub-systems, and power systems originally used for the Tokamak Fusion Test Reactor (TFTR) have been used with suitable modifications to reflect NSTX needs. The original TFTR Hardwired Control System (HCS) with electromechanical relays was used for NSTX DC Power loop control and protection during NSTX operations. As part of the NSTX Upgrade, the HCS is being changed to a PLC-based system with the same control logic. This paper gives a description of the changeover to the new PLC-based system __________________________________________________

  18. Notices Ave. SW., Room 3E207, Washington, DC

    Energy Savers [EERE]

    5295 Federal Register / Vol. 81, No. 55 / Tuesday, March 22, 2016 / Notices Ave. SW., Room 3E207, Washington, DC 20202. Telephone: (202) 453-6891 or by email: ddra@ed.gov. If you use a TDD or a TTY, call the FRS, toll free, at 1-800-877-8339. If you request an application from ED Pubs, be sure to identify this program as follows: CFDA number 84.022A. VIII. Other Information Accessible Format: Individuals with disabilities can obtain this document and a copy of the application package in an

  19. Heteroepitaxial Ge-on-Si by DC magnetron sputtering

    SciTech Connect (OSTI)

    Steglich, Martin; Schrempel, Frank; Fchsel, Kevin; Kley, Ernst-Bernhard; Patzig, Christian; Berthold, Lutz; Hche, Thomas; Tnnermann, Andreas; Fraunhofer Institute for Applied Optics and Precision Engineering IOF, Albert-Einstein-Str. 7, 07745 Jena

    2013-07-15

    The growth of Ge on Si(100) by DC Magnetron Sputtering at various temperatures is studied by Spectroscopic Ellipsometry and Transmission Electron Microscopy. Smooth heteroepitaxial Ge films are prepared at relatively low temperatures of 380C. Typical Stransky-Krastanov growth is observed at 410C. At lower temperatures (320C), films are essentially amorphous with isolated nanocrystallites at the Si-Ge interface. A minor oxygen contamination at the interface, developing after ex-situ oxide removal, is not seen to hinder epitaxy. Compensation of dislocation-induced acceptors in Ge by sputtering from n-doped targets is proposed.

  20. Positron lifetime spectrometer using a DC positron beam

    DOE Patents [OSTI]

    Xu, Jun; Moxom, Jeremy

    2003-10-21

    An entrance grid is positioned in the incident beam path of a DC beam positron lifetime spectrometer. The electrical potential difference between the sample and the entrance grid provides simultaneous acceleration of both the primary positrons and the secondary electrons. The result is a reduction in the time spread induced by the energy distribution of the secondary electrons. In addition, the sample, sample holder, entrance grid, and entrance face of the multichannel plate electron detector assembly are made parallel to each other, and are arranged at a tilt angle to the axis of the positron beam to effectively separate the path of the secondary electrons from the path of the incident positrons.

  1. DC switching regulated power supply for driving an inductive load

    DOE Patents [OSTI]

    Dyer, G.R.

    1983-11-29

    A dc switching regulated power supply for driving an inductive load is provided. The regulator basic circuit is a bridge arrangement of diodes and transistors. First and second opposite legs of the bridge are formed by first and second parallel-connected transistor arrays, respectively, while the third and fourth legs of the bridge are formed by appropriately connected first and second parallel connected diode arrays, respectively. A dc power supply is connected to the input of the bridge and the output is connected to the load. A servo controller is provided to control the switching rate of the transistors to maintain a desired current to the load. The regulator may be operated in three stages or modes: (1) for current runup in the load, both first and second transistor switch arrays are turned on and current is supplied to the load through both transistor arrays. (2) When load current reaches the desired level, the first switch is turned off, and load current flywheels through the second switch array and the fourth leg diode array connecting the second switch array in series with the load. Current is maintained by alternating between modes 1 and 2 at a suitable duty cycle and switching rate set by the controller. (3) Rapid current rundown is accomplished by turning both switch arrays off, allowing load current to be dumped back into the source through the third and fourth diode arrays connecting the source in series opposition with the load to recover energy from the inductive load.

  2. Single-mode deformation via nanoindentation in dc-Si

    SciTech Connect (OSTI)

    Wong, Sherman; Haberl, Bianca; Williams, James S.; Bradby, Jodie E.

    2015-01-01

    The mixture of the metastable body-centered cubic (bc8) and rhombohedral (r8) phases of silicon that is formed via nanoindentation of diamond cubic (dc) silicon exhibits properties that are of scientifc and technological interest. This letter demonstrates that large regions of this mixed phase can be formed in crystalline Si via nanoindentation without signifcant damage to the surrounding crystal. Cross-sectional transmission electron microscopy is used to show that volumes 6 um wide and up to 650 nm deep can be generated in this way using a spherical tip of 21.5 um diameter. The phase transformed region is characterised using both Raman microspectroscopy and transmission electron microscopy. It is found that uniform loading using large spherical indenters can favor phase transformation as the sole deformation mechanism as long as the maximum load is below a critical level. We suggest that the sluggish nature of the transformation from the dc-Si phase to the metallic (b-Sn) phase normally results in competing deformation mechanisms such as slip and cracking but these can be suppressed by controlled loading conditions.

  3. Ab initio description of the exotic unbound 7He nucleus

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

    Baroni, Simone; Navratil, Petr; Quaglioni, Sofia

    2013-01-11

    In this study, the neutron-rich unbound 7He nucleus has been the subject of many experimental investigations. While the ground-state 3/2– resonance is well established, there is a controversy concerning the excited 1/2– resonance reported in some experiments as low lying and narrow (ER~1 MeV, Γ≤1 MeV) while in others as very broad and located at a higher energy. This issue cannot be addressed by ab initio theoretical calculations based on traditional bound-state methods. We introduce a new unified approach to nuclear bound and continuum states based on the coupling of the no-core shell model, a bound-state technique, with the no-coremore » shell model combined with the resonating-group method, a nuclear scattering technique. Our calculations describe the ground-state resonance in agreement with experiment and, at the same time, predict a broad 1/2– resonance above 2 MeV.« less

  4. Better Buildings Summit Kicks off in Washington, DC | Department of Energy

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

    Better Buildings Summit Kicks off in Washington, DC Better Buildings Summit Kicks off in Washington, DC May 9, 2016 - 11:11am Addthis The 2016 Better Buildings Summit kicked off today in Washington, DC, bringing together leading organizations across key sectors to showcase solutions to cut energy intensity in their buildings portfolio-wide by 20% over the next ten years. During this three day event, partners and stakeholders will exchange best practices, highlight demonstrated market solutions

  5. We Have a Winner - DC High School Regional Science Bowl Competition Held

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

    Last Saturday | Department of Energy We Have a Winner - DC High School Regional Science Bowl Competition Held Last Saturday We Have a Winner - DC High School Regional Science Bowl Competition Held Last Saturday February 11, 2013 - 10:30am Addthis We Have a Winner - DC High School Regional Science Bowl Competition Held Last Saturday Annie Whatley Annie Whatley Deputy Director, Office of Minority Education and Community Development As part of the National Science Bowl, more than 9,500 high

  6. D.C. Middle and High School Students Get a Chance to Experience the

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

    Regional Science Bowl Competition Setting | Department of Energy D.C. Middle and High School Students Get a Chance to Experience the Regional Science Bowl Competition Setting D.C. Middle and High School Students Get a Chance to Experience the Regional Science Bowl Competition Setting March 26, 2014 - 1:07pm Addthis Annie Whatley Annie Whatley Deputy Director, Office of Minority Education and Community Development Have you ever heard of the Washington, D.C. regional science bowl competition?

  7. Decoherence and dephasing errors caused by the dc Stark effect in rapid ion

    Office of Scientific and Technical Information (OSTI)

    transport (Journal Article) | SciTech Connect Decoherence and dephasing errors caused by the dc Stark effect in rapid ion transport Citation Details In-Document Search Title: Decoherence and dephasing errors caused by the dc Stark effect in rapid ion transport We investigate the error due to the dc Stark effect for quantum information processing for trapped ion quantum computers using the scalable architecture proposed in D. Wineland et al. [J. Res. Natl. Inst. Stand. Technol. 103, 259

  8. DC Students Flex Their Mental Muscles in Regional Science Bowl Competition

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

    | Department of Energy DC Students Flex Their Mental Muscles in Regional Science Bowl Competition DC Students Flex Their Mental Muscles in Regional Science Bowl Competition February 23, 2015 - 3:12pm Addthis DC Students Flex Their Mental Muscles in Regional Science Bowl Competition Students across the country are flexing their mental muscles to earn a top spot in the Department of Energy's National Science Bowl® competition. High school students in the nation's capital were able to showcase

  9. Optimization of spin-torque switching using AC and DC pulses

    SciTech Connect (OSTI)

    Dunn, Tom; Kamenev, Alex

    2014-06-21

    We explore spin-torque induced magnetic reversal in magnetic tunnel junctions using combined AC and DC spin-current pulses. We calculate the optimal pulse times and current strengths for both AC and DC pulses as well as the optimal AC signal frequency, needed to minimize the Joule heat lost during the switching process. The results of this optimization are compared against numeric simulations. Finally, we show how this optimization leads to different dynamic regimes, where switching is optimized by either a purely AC or DC spin-current, or a combination AC/DC spin-current, depending on the anisotropy energies and the spin-current polarization.

  10. EERE Success Story—Washington, D.C. and Indiana: Allison Hybrid Technology Achieves Commercial Success

    Office of Energy Efficiency and Renewable Energy (EERE)

    EERE partner, Allison Transmission, Inc., has achieved commercial success in the greater Washington, D.C. area, with 1,480 hybrid buses on the road.

  11. A Segmented Drive Inverter Topology with a Small DC Bus Capacitor

    Broader source: Energy.gov [DOE]

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

  12. U.S. Department of Energy Forrestal Building, Washington, D.C. | Department

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

    of Energy Forrestal Building, Washington, D.C. U.S. Department of Energy Forrestal Building, Washington, D.C. Photo of Photovoltaic System at the Forrestal Building in Washington, DC The U.S. Department of Energy (DOE) is housed in the Forrestal Building in Washington, DC. A photovoltaic (PV) system was installed as part of the DOE's support of alternative energy and the Federal initiatives to lower energy usage. The 3 kW AC PV system is mounted on a balcony on the south side of the

  13. Harnessing the Power of the Sun, Solar Impulse Plane Lands in DC Area

    Broader source: Energy.gov [DOE]

    Today, Secretary Moniz spoke at an event welcoming the arrival of the solar-powered Solar Impulse plane at Dulles International Airport near Washington, D.C.

  14. An Active Filter Approach to the Reduction of the DC Link Capacitor

    Broader source: Energy.gov [DOE]

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

  15. Washington, D.C. and Indiana: Allison Hybrid Technology Achieves Commercial Success

    Broader source: Energy.gov [DOE]

    EERE partner, Allison Transmission, Inc., has achieved commercial success in the greater Washington, D.C. area, with 1,480 hybrid buses on the road.

  16. 103 Teams to Head to DOE's National Science Bowl in Washington, D.C. |

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

    Department of Energy 3 Teams to Head to DOE's National Science Bowl in Washington, D.C. 103 Teams to Head to DOE's National Science Bowl in Washington, D.C. April 23, 2009 - 12:00am Addthis WASHINGTON, DC- Students from 67 high school teams and 36 middle school teams from across the nation will compete next weekend for championship titles in the U.S. Department of Energy's (DOE) National Science Bowl in Washington D.C. The National Science Bowl is the nation's largest academic competition of

  17. Discharging a DC bus capacitor of an electrical converter system

    DOE Patents [OSTI]

    Kajouke, Lateef A; Perisic, Milun; Ransom, Ray M

    2014-10-14

    A system and method of discharging a bus capacitor of a bidirectional matrix converter of a vehicle are presented here. The method begins by electrically shorting the AC interface of the converter after an AC energy source is disconnected from the AC interface. The method continues by arranging a plurality of switching elements of a second energy conversion module into a discharge configuration to establish an electrical current path from a first terminal of an isolation module, through an inductive element, and to a second terminal of the isolation module. The method also modulates a plurality of switching elements of a first energy conversion module, while maintaining the discharge configuration of the second energy conversion module, to at least partially discharge a DC bus capacitor.

  18. Auxiliary quasi-resonant dc tank electrical power converter

    DOE Patents [OSTI]

    Peng, Fang Z.

    2006-10-24

    An auxiliary quasi-resonant dc tank (AQRDCT) power converter with fast current charging, voltage balancing (or charging), and voltage clamping circuits is provided for achieving soft-switched power conversion. The present invention is an improvement of the invention taught in U.S. Pat. No. 6,111,770, herein incorporated by reference. The present invention provides faster current charging to the resonant inductor, thus minimizing delay time of the pulse width modulation (PWM) due to the soft-switching process. The new AQRDCT converter includes three tank capacitors or power supplies to achieve the faster current charging and minimize the soft-switching time delay. The new AQRDCT converter further includes a voltage balancing circuit to charge and discharge the three tank capacitors so that additional isolated power supplies from the utility line are not needed. A voltage clamping circuit is also included for clamping voltage surge due to the reverse recovery of diodes.

  19. Superconducting DC and RF Properties of Ingot Niobium

    SciTech Connect (OSTI)

    Pashupati Dhakal, Gianluigi Ciovati, Peter Kneisel, Ganapati Rao Myneni

    2011-07-01

    The thermal conductivity, DC magnetization and penetration depth of large-grain niobium hollow cylindrical rods fabricated from ingots, manufactured by CBMM subjected to chemical and heat treatment were measured. The results confirm the influence of chemical and heat-treatment processes on the superconducting properties, with no significant dependence on the impurity concentrations in the original ingots. Furthermore, RF properties, such as the surface resistance and quench field of the niobium rods were measured using a TE{sub 011} cavity. The hollow niobium rod is the center conductor of this cavity, converting it to a coaxial cavity. The quench field is limited by the critical heat flux through the rods' cooling channel.

  20. Disc rotors with permanent magnets for brushless DC motor

    DOE Patents [OSTI]

    Hawsey, Robert A.; Bailey, J. Milton

    1992-01-01

    A brushless dc permanent magnet motor drives an autonomous underwater vehe. In one embodiment, the motor comprises four substantially flat stators in stacked relationship, with pairs of the stators axially spaced, each of the stators comprising a tape-wound stator coil, and first and second substantially flat rotors disposed between the spaced pairs of stators. Each of the rotors includes an annular array of permanent magnets embedded therein. A first shaft is connected to the first rotor and a second, concentric shaft is connected to the second rotor, and a drive unit causes rotation of the two shafts in opposite directions. The second shaft comprises a hollow tube having a central bore in which the first shaft is disposed. Two different sets of bearings support the first and second shafts. In another embodiment, the motor comprises two ironless stators and pairs of rotors mounted on opposite sides of the stators and driven by counterrotating shafts.

  1. Atmospheric characterization of the hot Jupiter Kepler-13Ab

    SciTech Connect (OSTI)

    Shporer, Avi; O'Rourke, Joseph G.; Knutson, Heather A.; Szab, Gyula M.; Zhao, Ming; Burrows, Adam; Fortney, Jonathan; Agol, Eric; Cowan, Nicolas B.; Desert, Jean-Michel; Howard, Andrew W.; Isaacson, Howard; Lewis, Nikole K.; Showman, Adam P.; Todorov, Kamen O.

    2014-06-10

    Kepler-13Ab (= KOI-13.01) is a unique transiting hot Jupiter. It is one of very few known short-period planets orbiting a hot A-type star, making it one of the hottest planets currently known. The availability of Kepler data allows us to measure the planet's occultation (secondary eclipse) and phase curve in the optical, which we combine with occultations observed by warm Spitzer at 4.5 ?m and 3.6 ?m and a ground-based occultation observation in the K{sub s} band (2.1 ?m). We derive a day-side hemisphere temperature of 2750 160 K as the effective temperature of a black body showing the same occultation depths. Comparing the occultation depths with one-dimensional planetary atmosphere models suggests the presence of an atmospheric temperature inversion. Our analysis shows evidence for a relatively high geometric albedo, A {sub g} = 0.33{sub ?0.06}{sup +0.04}. While measured with a simplistic method, a high A {sub g} is supported also by the fact that the one-dimensional atmosphere models underestimate the occultation depth in the optical. We use stellar spectra to determine the dilution, in the four wide bands where occultation was measured, due to the visual stellar binary companion 1.''15 0.''05 away. The revised stellar parameters measured using these spectra are combined with other measurements, leading to revised planetary mass and radius estimates of M{sub p} = 4.94-8.09 M {sub J} and R{sub p} = 1.406 0.038 R {sub J}. Finally, we measure a Kepler midoccultation time that is 34.0 6.9 s earlier than expected based on the midtransit time and the delay due to light-travel time and discuss possible scenarios.

  2. Ab-initio Carbon Capture in Open-Site Metal Organic Frameworks...

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

    Ab-initio Carbon Capture in Open-Site Metal Organic Frameworks Previous Next List A. Dzubak, L.-C. Lin, J. Kim, J. A. Swisher, R. Poloni, S. N. Maximoff, B. Smit, and L. Gagliardi,...

  3. Advances in the ab initio description of nuclear three-cluster...

    Office of Scientific and Technical Information (OSTI)

    description of nuclear three-cluster systems Citation Details In-Document Search Title: Advances in the ab initio description of nuclear three-cluster systems Authors: Redondo, C R ...

  4. Electric Dipole Transitions Within The Ab initio No-Core Shell Model With

    Office of Scientific and Technical Information (OSTI)

    Continuum (Technical Report) | SciTech Connect Technical Report: Electric Dipole Transitions Within The Ab initio No-Core Shell Model With Continuum Citation Details In-Document Search Title: Electric Dipole Transitions Within The Ab initio No-Core Shell Model With Continuum Authors: Quaglioni, S ; Baroni, S ; Navratil, P Publication Date: 2012-10-01 OSTI Identifier: 1053666 Report Number(s): LLNL-TR-588973 DOE Contract Number: W-7405-ENG-48 Resource Type: Technical Report Research Org:

  5. Ab Initio Calculations of Light-Ion Fusion Reactions (Conference) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Ab Initio Calculations of Light-Ion Fusion Reactions Citation Details In-Document Search Title: Ab Initio Calculations of Light-Ion Fusion Reactions Authors: Hupin, G ; Quaglioni, S ; Navratil, P Publication Date: 2012-09-11 OSTI Identifier: 1248279 Report Number(s): LLNL-PROC-580635 DOE Contract Number: AC52-07NA27344 Resource Type: Conference Resource Relation: Conference: Presented at: Nuclear Structure and Dynamics II, Opatija, Croatia, Jul 09 - Jul 13, 2012

  6. Ab initio calculations of light-ion fusion reactions (Journal Article) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Journal Article: Ab initio calculations of light-ion fusion reactions Citation Details In-Document Search Title: Ab initio calculations of light-ion fusion reactions The exact treatment of nuclei starting from the constituent nucleons and the fundamental interactions among them has been a long-standing goal in nuclear physics. Above all nuclear scattering and reactions, which require the solution of the many-body quantum-mechanical problem in the continuum, represent an

  7. Ab initio study of neutron drops with chiral Hamiltonians (Journal Article)

    Office of Scientific and Technical Information (OSTI)

    | SciTech Connect Ab initio study of neutron drops with chiral Hamiltonians Citation Details In-Document Search Title: Ab initio study of neutron drops with chiral Hamiltonians Authors: Potter, H. D. ; Fischer, S. ; Maris, P. ; Vary, J. P. ; Binder, S. ; Calci, A. ; Langhammer, J. ; Roth, R. Publication Date: 2014-12-01 OSTI Identifier: 1197766 Grant/Contract Number: DESC0008485; FG02-87ER40371 Type: Published Article Journal Name: Physics Letters. Section B Additional Journal Information:

  8. Ab initio thermodynamic approach to identify mixed solid sorbents for CO2

    Office of Scientific and Technical Information (OSTI)

    capture technology (Journal Article) | SciTech Connect Journal Article: Ab initio thermodynamic approach to identify mixed solid sorbents for CO2 capture technology Citation Details In-Document Search Title: Ab initio thermodynamic approach to identify mixed solid sorbents for CO2 capture technology Because the current technologies for capturing CO2 are still too energy intensive, new materials must be developed that can capture CO2 reversibly with acceptable energy costs. At a given CO2

  9. Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report):

    Office of Scientific and Technical Information (OSTI)

    ALCF-2 Early Science Program Technical Report (Technical Report) | SciTech Connect Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Authors: Lovato, A. ; Pieper, S.C. [1] ; PHY) [2] + Show Author Affiliations (LCF) ( Publication Date: 2013-05-13 OSTI Identifier: 1079770

  10. DC switching regulated power supply for driving an inductive load

    DOE Patents [OSTI]

    Dyer, George R.

    1986-01-01

    A power supply for driving an inductive load current from a dc power supply hrough a regulator circuit including a bridge arrangement of diodes and switching transistors controlled by a servo controller which regulates switching in response to the load current to maintain a selected load current. First and second opposite legs of the bridge are formed by first and second parallel-connected transistor arrays, respectively, while the third and fourth legs of the bridge are formed by appropriately connected first and second parallel connected diode arrays, respectively. The regulator may be operated in three "stages" or modes: (1) For current runup in the load, both first and second transistor switch arrays are turned "on" and current is supplied to the load through both transistor arrays. (2) When load current reaches the desired level, the first switch is turned "off", and load current "flywheels" through the second switch array and the fourth leg diode array connecting the second switch array in series with the load. Current is maintained by alternating between modes 1 and 2 at a suitable duty cycle and switching rate set by the controller. (3) Rapid current rundown is accomplished by turning both switch arrays "off", allowing load current to be dumped back into the source through the third and fourth diode arrays connecting the source in series opposition with the load to recover energy from the inductive load. The three operating states are controlled automatically by the controller.

  11. QER Second Installment Public Meeting-Washington, DC | Department of Energy

    Energy Savers [EERE]

    Initiatives » The Quadrennial Energy Review (QER) » Quadrennial Energy Review Stakeholder Engagement » QER Second Installment Public Meeting-Washington, DC QER Second Installment Public Meeting-Washington, DC MEETING DATE AND LOCATION Thursday, February 4, 2016 Doors open: 8:30 AM; Program begins: 9:30 AM U.S. Capitol Visitor Center 1st and East Capitol Streets NE Washington, DC 20510 Watch the February 4th Stakeholder Meeting here. MEETING INFORMATION The U.S. Department of Energy Secretary

  12. DC power transmission from the Leningradskaya Nuclear Power Plant to Vyborg

    SciTech Connect (OSTI)

    Koshcheev, L. A.; Shul'ginov, N. G.

    2011-05-15

    DC power transmission from the Leningradskaya Nuclear Power Plant (LAES) to city of Vyborg is proposed. This will provide a comprehensive solution to several important problems in the development and control of the unified power system (EES) of Russia.

  13. Existing Homes Retrofit Case Study: Consortium for Advanced Residential Buildings (CARB), Washington, D.C.

    SciTech Connect (OSTI)

    2009-09-01

    This is a Building America fact sheet describing Consortium for Advanced Residential Buildiings (CARB) whole building retrofit process to renovate a 145-year-old home in Washington, D.C.

  14. Careers and disAbled DC Career Expo | Department of Energy

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

    10:00AM to 3:00PM EST Ronald Reagan Building, 1300 Pennsylvania Ave., NW, Washington, DC 20004 POC: Donna Friend More Info Careers & Internships The White House USA.gov Energy.gov...

  15. DC Pro Software Tool Suite, Data Center Fact Sheet, Industrial Technologies Program

    SciTech Connect (OSTI)

    Not Available

    2009-04-01

    This fact sheet describes how DOE's Data Center Energy Profiler (DC Pro) Software Tool Suite and other resources can help U.S. companies identify ways to improve the efficiency of their data centers.

  16. Multilevel-Dc-Bus Inverter For Providing Sinusoidal And Pwm Electrical Machine Voltages

    DOE Patents [OSTI]

    Su, Gui-Jia [Knoxville, TN

    2005-11-29

    A circuit for controlling an ac machine comprises a full bridge network of commutation switches which are connected to supply current for a corresponding voltage phase to the stator windings, a plurality of diodes, each in parallel connection to a respective one of the commutation switches, a plurality of dc source connections providing a multi-level dc bus for the full bridge network of commutation switches to produce sinusoidal voltages or PWM signals, and a controller connected for control of said dc source connections and said full bridge network of commutation switches to output substantially sinusoidal voltages to the stator windings. With the invention, the number of semiconductor switches is reduced to m+3 for a multi-level dc bus having m levels. A method of machine control is also disclosed.

  17. Linked Open Data Workshop in Washington, D.C. | OpenEI Community

    Open Energy Info (EERE)

    Home > Linked Open Data Workshop in Washington, D.C. > Posts by term Content Group Activity By term Q & A Feeds Event (2) linked open data (2) LOD (2) notes (1) Open Data (2)...

  18. Linked Open Data Workshop in Washington, D.C. | OpenEI Community

    Open Energy Info (EERE)

    Linked Open Data Workshop in Washington, D.C. Home > Features > Groups Content Group Activity By term Q & A Feeds Content type Blog entry Discussion Document Event Poll...

  19. Linked Open Data Workshop in Washington, D.C. - Q & A | OpenEI...

    Open Energy Info (EERE)

    - Q & A Home > Linked Open Data Workshop in Washington, D.C. Content Group Activity By term Q & A Feeds No questions have been added to this group yet....

  20. Linked Open Data Workshop in Washington, D.C. | OpenEI Community

    Open Energy Info (EERE)

    Groups > Groups > Linked Open Data Workshop in Washington, D.C. Content Group Activity By term Q & A Feeds There are no feeds from external sites for this group. Groups Menu You...

  1. DC Resistivity Survey (Mise-A-La-Masse) | Open Energy Information

    Open Energy Info (EERE)

    fluid type and phase state of the pore water Thermal: Resistivity influenced by temperature Dictionary.png DC Resistivity Survey (Mise-A-La-Masse): No definition has been...

  2. Vehicle Technologies Office Merit Review 2014: High Performance DC Bus Film Capacitor

    Broader source: Energy.gov [DOE]

    Presentation given by GE Global Research at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about high performance DC bus...

  3. Vehicle Technologies Office Merit Review 2015: High Performance DC Bus Film Capacitor

    Broader source: Energy.gov [DOE]

    Presentation given by GE Global Research at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about high performance DC bus...

  4. A highly stable DC power supply for precision magnetic field measurements and other purposes

    SciTech Connect (OSTI)

    Ino, Takashi

    2012-04-15

    A homogeneous magnetic field is essential for the {sup 3}He neutron spin filter used to polarize neutron beams and analyze neutron spins in neutron scattering. The required spatial uniformity of the magnetic field is on the order of 10{sup -4}/cm or less. To measure such uniformity, one needs a DC current source with a current stability much better than 10{sup -4}. However, laboratory DC power supplies, which are commonly used in many {sup 3}He neutron spin filters, do not have such stabilities. To attain a highly stable current with a common laboratory DC power supply for every {sup 3}He neutron spin filter, a simple feedback circuit has been developed to keep the output current stable up to 10{sup -6}. Such a highly stable current or voltage from a common laboratory DC power supply can also be used for various other research applications.

  5. Dielectric relaxation and conduction in SrTiO{sub 3} thin films under dc bias

    SciTech Connect (OSTI)

    Ang, Chen; Yu, Zhi; Cross, L. E.; Guo, Ruyan; Bhalla, A. S.

    2001-08-06

    The dielectric and conduction behavior of SrTiO{sub 3} thin films deposited on a SrTiO{sub 3} single-crystal substrate is studied. Without dc bias, an obvious dielectric 'defect mode' in the dielectric loss is observed in the temperature range of {approx}100--200 K; however, no noticeable corresponding dielectric constant peak is observed. By applying a high dc bias ({>=}40 kV/cm), a dielectric constant peak with frequency dispersion appears in the same temperature range, the dielectric loss is increased, and simultaneously high dc conduction is observed. The induced dielectric constant peak is related to dc conduction and attributed to the coupling effect of the mobile carriers with the dielectric defect mode. {copyright} 2001 American Institute of Physics.

  6. Report from the Field: Nutrient and Energy Recovery at DC Water

    Broader source: Energy.gov [DOE]

    Presentation by Mark Ramirez, DC Water, during the "Technological State of the Art" panel at the Hydrogen, Hydrocarbons, and Bioproduct Precursors from Wastewaters Workshop held March 18–19, 2015.

  7. FUPWG Spring 2011 Washington, D.C., Update | Department of Energy

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

    1 Washington, D.C., Update FUPWG Spring 2011 Washington, D.C., Update Presentation covers the Federal Utility Partnership Working Group (FUPWG) Washington update, and is given during the FUPWG Spring 2011 meeting. PDF icon fupwg_spring11_sschell.pdf More Documents & Publications Federal Utility Partnership Working Group 2011 Meeting: Washington Update UESC Data Collection Update Federal Utility Partnership Working Group Meeting: Washington Update

  8. Report Now Available: DC Microgrids Scoping Study--Estimate of Technical and Economic Benefits (March 2015)

    Broader source: Energy.gov [DOE]

    Los Alamos National Laboratory has released a report titled DC Microgrids Scoping Study: Estimate of Technical and Economic Benefits, which presents the results of a study by several national labs and funded by the Office of Electricity Delivery & Energy Reliability. The study provides a preliminary examination of the benefits and drawbacks of potential DC microgrid applications relative to their AC counterparts, using several metrics for comparison, and offers recommendations for potential future research and deployment activities.

  9. EERE Success Story-Washington, D.C. and Tennessee: Bioenergy Technologies

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

    Office Announces Launch of New and Improved KDF | Department of Energy Washington, D.C. and Tennessee: Bioenergy Technologies Office Announces Launch of New and Improved KDF EERE Success Story-Washington, D.C. and Tennessee: Bioenergy Technologies Office Announces Launch of New and Improved KDF January 31, 2014 - 12:00am Addthis In September 2013, the Bioenergy Technologies Office (BETO) launched a revamped, easier-to-use version of the Bioenergy Knowledge Discovery Framework. Initially

  10. Students Recognized in Washington, D.C. for their Winning Bioenergy

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

    Infographic | Department of Energy Students Recognized in Washington, D.C. for their Winning Bioenergy Infographic Students Recognized in Washington, D.C. for their Winning Bioenergy Infographic September 24, 2015 - 10:21am Addthis A team of high school students designed this infographic about cellulosic ethanol. View the entire infographic from the <a href="http://energy.gov/eere/bioenergy/bioenergizeme-infographic-challenge-cellulosic-ethanol">Bioenergy Technologies Office

  11. Local Teams from PA, WV Travel to Washington D.C. for National Science Bowl

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

    | netl.doe.gov Regional News Local Teams from PA, WV Travel to Washington D.C. for National Science Bowl Pittsburgh, Pa. - The National Energy Technology Laboratory have sent the regional winners of the southwestern Pennsylvania (SWPA) and West Virginia Science Bowls off to compete in the U.S. Department of Energy National Science Bowl April 28-May 2, 2016, in Washington, D.C. By winning their regional tournaments, the Marshall Middle School (Wexford, PA), Morgantown High School (Morgantown,

  12. Ab Initio Many-Body Calculations Of Light-Ion Reactions (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Conference: Ab Initio Many-Body Calculations Of Light-Ion Reactions Citation Details In-Document Search Title: Ab Initio Many-Body Calculations Of Light-Ion Reactions Authors: Romero-Redondo, C ; Navratil, P ; Quaglioni, S ; Hupin, G ; Langhammer, J ; Calci, A ; Roth, R Publication Date: 2013-07-31 OSTI Identifier: 1093413 Report Number(s): LLNL-PROC-642196 DOE Contract Number: W-7405-ENG-48 Resource Type: Conference Resource Relation: Conference: Presented at: Nuclear

  13. AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES IN THE V-Cr

    Office of Scientific and Technical Information (OSTI)

    SYSTEM (Journal Article) | SciTech Connect AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES IN THE V-Cr SYSTEM Citation Details In-Document Search Title: AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES IN THE V-Cr SYSTEM Authors: Landa, A ; Soderlind, P ; Yang, L H Publication Date: 2013-10-29 OSTI Identifier: 1116979 Report Number(s): LLNL-JRNL-645443 DOE Contract Number: W-7405-ENG-48 Resource Type: Journal Article Resource Relation: Journal Name: Physical Review

  14. Ab Initio Many-Body Calculations Of Light-Ion Reactions (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Conference: Ab Initio Many-Body Calculations Of Light-Ion Reactions Citation Details In-Document Search Title: Ab Initio Many-Body Calculations Of Light-Ion Reactions Authors: Romero-Redondo, C ; Navratil, P ; Quaglioni, S ; Hupin, G ; Langhammer, J ; Calci, A ; Roth, R Publication Date: 2013-07-31 OSTI Identifier: 1093413 Report Number(s): LLNL-PROC-642196 DOE Contract Number: W-7405-ENG-48 Resource Type: Conference Resource Relation: Conference: Presented at: Nuclear

  15. Ab Initio Many-Body Calculations of Deuteron-4He Scattering And 6Li States

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Journal Article: Ab Initio Many-Body Calculations of Deuteron-4He Scattering And 6Li States Citation Details In-Document Search Title: Ab Initio Many-Body Calculations of Deuteron-4He Scattering And 6Li States Authors: Quaglioni, S ; Navratil, P Publication Date: 2011-02-08 OSTI Identifier: 1118007 Report Number(s): LLNL-JRNL-469878 DOE Contract Number: W-7405-ENG-48 Resource Type: Journal Article Resource Relation: Journal Name: Phisical Review C, na, na,

  16. Ab Initio NCSM/RGM For Three-Body Cluster Systems And Application To

    Office of Scientific and Technical Information (OSTI)

    4He+n+n (Conference) | SciTech Connect Ab Initio NCSM/RGM For Three-Body Cluster Systems And Application To 4He+n+n Citation Details In-Document Search Title: Ab Initio NCSM/RGM For Three-Body Cluster Systems And Application To 4He+n+n Authors: Romero-Redondo, C ; Navratil, P ; Quaglioni, S ; Hupin, G Publication Date: 2014-04-07 OSTI Identifier: 1129136 Report Number(s): LLNL-PROC-652666 DOE Contract Number: W-7405-ENG-48 Resource Type: Conference Resource Relation: Conference: Presented

  17. Ab Initio NCSM/RGM For Three-Body Cluster Systems And Application To

    Office of Scientific and Technical Information (OSTI)

    4He+n+n (Conference) | SciTech Connect Ab Initio NCSM/RGM For Three-Body Cluster Systems And Application To 4He+n+n Citation Details In-Document Search Title: Ab Initio NCSM/RGM For Three-Body Cluster Systems And Application To 4He+n+n × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional information

  18. Ab Initio Thermodynamic Study of the CO2 Capture Properties of Potassium

    Office of Scientific and Technical Information (OSTI)

    Carbonate Sesquihydrate, K2CO3*1.5H2O (Journal Article) | SciTech Connect Journal Article: Ab Initio Thermodynamic Study of the CO2 Capture Properties of Potassium Carbonate Sesquihydrate, K2CO3*1.5H2O Citation Details In-Document Search Title: Ab Initio Thermodynamic Study of the CO2 Capture Properties of Potassium Carbonate Sesquihydrate, K2CO3*1.5H2O By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO2 absorption/desorption reactions with

  19. Advances in the ab initio description of nuclear three-cluster systems

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect Advances in the ab initio description of nuclear three-cluster systems Citation Details In-Document Search Title: Advances in the ab initio description of nuclear three-cluster systems Authors: Redondo, C R ; Quaglioni, S ; Navratil, P ; Hupin, G Publication Date: 2015-08-25 OSTI Identifier: 1234622 Report Number(s): LLNL-PROC-676587 DOE Contract Number: AC52-07NA27344 Resource Type: Conference Resource Relation: Conference: Presented at: 21st International

  20. Advances in the ab initio description of nuclear three-cluster systems

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect Advances in the ab initio description of nuclear three-cluster systems Citation Details In-Document Search Title: Advances in the ab initio description of nuclear three-cluster systems × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional information resources in energy

  1. Spectroscopic signatures of AA' and AB stacking of chemical vapor deposited bilayer MoS2

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

    Xia, Ming; Li, Bo; Yin, Kuibo; Capellini, Giovanni; Niu, Gang; Gong, Yongji; Zhou, Wu; Ajayan, Pulickel M.; Xie, Ya -Hong

    2015-11-04

    We discuss prominent resonance Raman and photoluminescence spectroscopic differences between AA'and AB stacked bilayer molybdenum disulfide (MoS2) grown by chemical vapor deposition are reported. Bilayer MoS2 islands consisting of the two stacking orders were obtained under identical growth conditions. Also, resonance Raman and photoluminescence spectra of AA' and AB stacked bilayer MoS2 were obtained on Au nanopyramid surfaces under strong plasmon resonance. Both resonance Raman and photoluminescence spectra show distinct features indicating clear differences in interlayer interaction between these two phases. The implication of these findings on device applications based on spin and valley degrees of freedom.

  2. AB 2188: Implementation of the California Solar Rights Act at the Local Level

    Broader source: Energy.gov [DOE]

    This document is intended to provide guidance for implementing the Solar Permitting Efficiency Act (AB 2188), which was enacted in California in 2015, in substantial conformance with the California Solar Permitting Guidebook. This document also includes a stand-alone model ordinance that complies with the requirements of the Solar Rights Act, as amended. The sections of this document are organized to first provide the reader with the statutory requirements of AB 2188 and the existing requirements of the Solar Rights Act, followed by the recommendations from the California Solar Permitting Guidebook for substantial conformance with regard to the permitting requirements for local permitting processes.

  3. DC Motor control using motor-generator set with controlled generator field

    DOE Patents [OSTI]

    Belsterling, Charles A.; Stone, John

    1982-01-01

    A d.c. generator is connected in series opposed to the polarity of a d.c. power source supplying a d.c. drive motor. The generator is part of a motor-generator set, the motor of which is supplied from the power source connected to the motor. A generator field control means varies the field produced by at least one of the generator windings in order to change the effective voltage output. When the generator voltage is exactly equal to the d.c. voltage supply, no voltage is applied across the drive motor. As the field of the generator is reduced, the drive motor is supplied greater voltage until the full voltage of the d.c. power source is supplied when the generator has zero field applied. Additional voltage may be applied across the drive motor by reversing and increasing the reversed field on the generator. The drive motor may be reversed in direction from standstill by increasing the generator field so that a reverse voltage is applied across the d.c. motor.

  4. Optimizing Energy Savings from Direct-DC in U.S. Residential Buildings

    SciTech Connect (OSTI)

    Garbesi, Karina; Vossos, Vagelis; Sanstad, Alan; Burch, Gabriel

    2011-10-13

    An increasing number of energy efficient appliances operate on direct current (DC) internally, offering the potential to use DC from renewable energy systems directly and avoiding the losses inherent in converting power to alternating current (AC) and back. This paper investigates that potential for net-metered residences with on-site photovoltaics (PV) by modeling the net power draw of the ‘direct-DC house’ with respect to today’s typical configuration, assuming identical DC-internal loads. Power draws were modeled for houses in 14 U.S. cities, using hourly, simulated PV-system output and residential loads. The latter were adjusted to reflect a 33% load reduction, representative of the most efficient DC-internal technology, based on an analysis of 32 electricity end-uses. The model tested the effect of climate, electric vehicle (EV) loads, electricity storage, and load shifting on electricity savings; a sensitivity analysis was conducted to determine how future changes in the efficiencies of power system components might affect savings potential. Based on this work, we estimate that net-metered PV residences could save 5% of their total electricity load for houses without storage and 14% for houses with storage. Based on residential PV penetration projections for year 2035 obtained from the National Energy Modeling System (2.7% for the reference case and 11.2% for the extended policy case), direct-DC could save the nation 10 trillion Btu (without storage) or 40 trillion Btu (with storage). Shifting the cooling load by two hours earlier in the day (pre-cooling) has negligible benefits for energy savings. Direct-DC provides no energy savings benefits for EV charging, to the extent that charging occurs at night. However, if charging occurred during the day, for example with employees charging while at work, the benefits would be large. Direct-DC energy savings are sensitive to power system and appliance conversion efficiencies but are not significantly influenced by climate. While direct-DC for residential applications will most likely arise as a spin-off of developments in the commercial sector—because of lower barriers to market entry and larger energy benefits resulting from the higher coincidence between load and insolation—this paper demonstrates that there are substantial benefits in the residential sector as well. Among residential applications, space cooling derives the largest energy savings from being delivered by a direct-DC system. It is the largest load for the average residence on a national basis and is particularly so in high-load regions. It is also the load with highest solar coincidence.

  5. RESEARCH and RELATED BUDGET - SECTION A-B, BUDGET PERIOD 1

    Energy Savers [EERE]

    SECTION A-B, BUDGET PERIOD 1 *Budget Type: Project: *Name of Organization: *Budget Period: 1 Prefix *Last Name Suffix *Project Role Base Salary $ Cal. Months Acad. Months Sum. Months *Requested Salary ($) *Fringe Benefits ($) *Funds Requested ($) 1. Principal Investigator - $ - $ - $ - $ 2. - $ - $ - $ - $ 3. - $ - $ - $ - $ 4. - $ - $ - $ - $ 5. - $ - $ - $ - $ 6. - $ - $ - $ - $ 7. - $ - $ - $ - $ 8. - $ - $ - $ - $ 9. - $ - $ Attachments: Yes Cal. Months Acad. Months Sum. Months *Requested

  6. Method for the separation of high impact polystyrene (HIPS) and acrylonitrile butadiene styrene (ABS) plastics

    DOE Patents [OSTI]

    Jody, Bassam J.; Arman, Bayram; Karvelas, Dimitrios E.; Pomykala, Jr., Joseph A.; Daniels, Edward J.

    1997-01-01

    An improved method is provided for separating acrylonitrile butadiene styrene (ABS) and high impact polystyrene (HIPS) plastics from each other. The ABS and HIPS plastics are shredded to provide a selected particle size. The shredded particles of the ABS and HIPS plastics are applied to a solution having a solution density in a predefined range between 1.055 gm/cm.sup.3 and 1.07 gm/cm.sup.3, a predefined surface tension in a range between 22 dynes/cm to 40 dynes/cm and a pH in the range of 1.77 and 2.05. In accordance with a feature of the invention, the novel method is provided for separating ABS and HIPS, two solid thermoplastics which have similar densities by selectively modifying the effective density of the HIPS using a binary solution with the appropriate properties, such as pH, density and surface tension, such as a solution of acetic acid and water or a quaternary solution having the appropriate density, surface tension, and pH.

  7. Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture...

    Office of Scientific and Technical Information (OSTI)

    Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture Citation Details In-Document Search Title: Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture ...

  8. Performance Study of K2CsSb Photocathode inside a DC High Voltage Gun

    SciTech Connect (OSTI)

    T. Rao, J. Smedley, J.M. Grames, R. Mammei, J.L. McCarter, M. Poelker, R. Suleiman

    2011-03-01

    In the past decade, there has been considerable interest in the generation of tens of mA average current in a photoinjector. Until recently, GaAs:Cs cathodes and K2CsSb cathodes have been tested successfully in DC and RF injectors respectively for this application. Our goal is to test the GaAs:Cs in RF injector and the K2CsSb cathode in the DC gun in order to widen our choices. Since the multialkali cathode is a compound with uniform stochiometry over its entire thickness, we anticipate that the life time issues seen in GaAs:Cs due surface damage by ion bombardment would be minimized with this material. Hence successful operation of the K2CsSb cathode in DC gun could lead to a relatively robust electron source capable of delivering ampere level currents. In order to test the performance of K2CsSb cathode in a DC gun, we have designed and built a load lock system that would allow the fabrication of the cathode at BNL and its testing at JLab. In this paper, we will present the design of the load-lock system, cathode fabrication, and the cathode performance in the preparation chamber and in the DC gun.

  9. Performance Study of K2CsSb Photocathode Inside a DC High Voltage Gun

    SciTech Connect (OSTI)

    McCarter J. L.; Rao T.; Smedley, J.; Grames, J.; Mammei, R.; Poelker, M.; Suleiman, R.

    2011-09-01

    In the past decade, there has been considerable interest in the generation of tens of mA average current in a photoinjector. Until recently, GaAs:Cs cathodes and K{sub 2}CsSb cathodes have been tested successfully in DC and RF injectors respectively for this application. Our goal is to test the K{sub 2}CsSb photocathode inside a DC gun. Since the multialkali cathode is a compound with constant characteristics over its entire thickness, we anticipate that the lifetime issues seen in GaAs:Cs due to surface damage by ion bombardment would be minimized. Hence successful operation of the K{sub 2}CsSb cathode in a DC gun could lead to a relatively robust electron source capable of delivering ampere level currents. In order to test the performance of a K{sub 2}CsSb cathode in a DC gun, we have designed and built a load lock system that allows the fabrication of the cathode at Brookhaven National Lab (BNL) and its testing at Jefferson Lab (JLab). In this paper, we will present the performance of the K{sub 2}CsSb photocathode in the preparation chamber and in the DC gun.

  10. One-dimensional hybrid simulation of the dc/RF combined driven capacitively coupled CF{sub 4} plasmas

    SciTech Connect (OSTI)

    Wang Shuai [School of Science, Northeastern University, Shenyang 110891 (China); Xu Xiang; Wang Younian [School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China)

    2012-11-15

    We developed a one-dimensional hybrid model to simulate the dc/RF combined driven capacitively coupled plasma for CF{sub 4} discharges. The numerical results show the influence of the dc source on the plasma density distribution, ion energy distributions (IEDs), and ion angle distributions (IADs) on both RF and dc electrodes. The increase of dc voltage impels more ions with high energy to the electrode applied to the dc source, which makes the IEDs at the dc electrode shift toward higher energy and the peaks in IADs shift toward the small angle region. At the same time, it also decreases ion-energy at the RF electrode and enlarges the ion-angles which strike the RF electrode.

  11. The National Science Bowl Students are Here! (The Streets of D.C. Just Got a Little Smarter.)

    Broader source: Energy.gov [DOE]

    Hundreds of America’s best science high school and middle school students are arriving in D.C. today to gear up for the National Science Bowl.

  12. Secretary Moniz's Remarks at the Schlesinger Medal Ceremony and Energy Security Symposium in Washington D.C.-- As Delivered

    Broader source: Energy.gov [DOE]

    Secretary Moniz's remarks, as delivered, at the Schlesinger Medal Ceremony and Energy Security Symposium in Washington D.C. on October 1, 2014.

  13. Earth Day Park in Washington, D.C. to be Solar Powered

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

    Day Park in Washington, D.C. to be Solar Powered For more information contact: Mike Marsh, 275-4085 Golden, Colo., April 17, 1996 -- Lights powered with clean, renewable energy from the sun will illuminate Earth Day Park in Washington, D.C. just in time for the 26th annual celebration of Earth Day April 22, thanks to the U.S. Department of Energy and its National Renewable Energy Laboratory (NREL). The DOE project, which will be dedicated by Energy Secretary Hazel O'Leary on Earth Day, is a

  14. A room temperature electron cyclotron resonance ion source for the DC-110 cyclotron

    SciTech Connect (OSTI)

    Efremov, A. Bogomolov, S.; Lebedev, A.; Loginov, V.; Yazvitsky, N.

    2014-02-15

    The project of the DC-110 cyclotron facility to provide applied research in the nanotechnologies (track pore membranes, surface modification of materials, etc.) has been designed by the Flerov Laboratory of Nuclear Reactions of the Joint Institute for Nuclear Research (Dubna). The facility includes the isochronous cyclotron DC-110 for accelerating the intensive Ar, Kr, Xe ion beams with 2.5 MeV/nucleon fixed energy. The cyclotron is equipped with system of axial injection and ECR ion source DECRIS-5, operating at the frequency of 18 GHz. This article reviews the design and construction of DECRIS-5 ion source along with some initial commissioning results.

  15. Persons Who Received the DC PSC's Emergency Petition and Complaint via

    Energy Savers [EERE]

    E-mail on August 24, 2005 | Department of Energy Persons Who Received the DC PSC's Emergency Petition and Complaint via E-mail on August 24, 2005 Persons Who Received the DC PSC's Emergency Petition and Complaint via E-mail on August 24, 2005 Docket No. EO-05-01: In response to your August 29, 2005 letter, attached please find a list of all entities and organizations to whom we served the District of Columbia Public Service Commission's (HOC PSC") Petition and Complaint filed on August

  16. Secretary Moniz's Keynote Address at the ARPA-E Summit in Washington D.C.

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

    -- As Delivered | Department of Energy Keynote Address at the ARPA-E Summit in Washington D.C. -- As Delivered Secretary Moniz's Keynote Address at the ARPA-E Summit in Washington D.C. -- As Delivered February 26, 2014 - 5:18pm Addthis Dr. Ernest Moniz Dr. Ernest Moniz Secretary of Energy Well, thank you, Dan (Poneman). As Dan indicated, we go back a ways and if you look at Secretaries and Deputy Secretaries and Acting Secretaries of the Department of Energy, I'm pretty sure that Dan is the

  17. Energy Secretary Moniz's Remarks at CSIS in Washington D.C. on Energy

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

    Security 40 Years after the Embargo - As Delivered | Department of Energy CSIS in Washington D.C. on Energy Security 40 Years after the Embargo - As Delivered Energy Secretary Moniz's Remarks at CSIS in Washington D.C. on Energy Security 40 Years after the Embargo - As Delivered October 24, 2013 - 11:27am Addthis Dr. Ernest Moniz Dr. Ernest Moniz Secretary of Energy Well, thank you, John. I was actually planning to make a long presentation, but I will, in real time, convert it to a short

  18. Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo

    SciTech Connect (OSTI)

    Zen, Andrea; Luo, Ye Mazzola, Guglielmo Sorella, Sandro; Guidoni, Leonardo

    2015-04-14

    Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics simulations still represents a formidable task for quantum chemistry. In this article, we present a room temperature simulation of liquid water based on the potential energy surface obtained by a many-body wave function through quantum Monte Carlo (QMC) methods. The simulated properties are in good agreement with recent neutron scattering and X-ray experiments, particularly concerning the position of the oxygen-oxygen peak in the radial distribution function, at variance of previous density functional theory attempts. Given the excellent performances of QMC on large scale supercomputers, this work opens new perspectives for predictive and reliable ab initio simulations of complex chemical systems.

  19. Ab Initio Many-Body Calculations Of Nucleon-Nucleus Scattering

    SciTech Connect (OSTI)

    Quaglioni, S; Navratil, P

    2008-12-17

    We develop a new ab initio many-body approach capable of describing simultaneously both bound and scattering states in light nuclei, by combining the resonating-group method with the use of realistic interactions, and a microscopic and consistent description of the nucleon clusters. This approach preserves translational symmetry and Pauli principle. We outline technical details and present phase shift results for neutron scattering on {sup 3}H, {sup 4}He and {sup 10}Be and proton scattering on {sup 3,4}He, using realistic nucleon-nucleon (NN) potentials. Our A = 4 scattering results are compared to earlier ab initio calculations. We find that the CD-Bonn NN potential in particular provides an excellent description of nucleon-{sup 4}He S-wave phase shifts. We demonstrate that a proper treatment of the coupling to the n-{sup 10}Be continuum is successful in explaining the parity-inverted ground state in {sup 11}Be.

  20. Bridging a gap between continuum-QCD and ab initio predictions of hadron observables

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

    Binosi, Daniele; Chang, Lei; Papavassiliou, Joannis; Roberts, Craig D.

    2015-01-23

    Within contemporary hadron physics there are two common methods for determining the momentum-dependence of the interaction between quarks: the top-down approach, which works toward an ab initio computation of the interaction via direct analysis of the gauge-sector gap equations; and the bottom-up scheme, which aims to infer the interaction by fitting data within a well-defined truncation of those equations in the matter sector that are relevant to bound-state properties. We unite these two approaches by demonstrating that the renormalisation-group-invariant running-interaction predicted by contemporary analyses of QCDs gauge sector coincides with that required in order to describe ground-state hadron observables usingmorea nonperturbative truncation of QCDs DysonSchwinger equations in the matter sector. This bridges a gap that had lain between nonperturbative continuum-QCD and the ab initio prediction of bound-state properties.less

  1. Preparation and immunoreactivity of high specific activity indium-111-DTPA labeled monoclonal antibody (MoAb) using ultrapure indium-111

    SciTech Connect (OSTI)

    Zoghbi, S.S.; Neumann, R.D.; Gottschalk, A.

    1986-10-01

    The preparation of high-specific activity /sup 111/In-DTPA-MoAb without increasing the number of DTPA molecules per Ab was investigated. Instant thin layer chromatography was used to assay the relationship between labeling efficiencies and specific activities. With ultrapurified /sup 111/In, the specific activity of the radiolabeled MoAb approached the expected theoretic maximum of 100 muCi/microgram. The bioactivity of such high-specific activity preparation showed no degradation as measured by in vitro cell binding assay.

  2. Ab Initio Coupled-Cluster Effective Interactions for the Shell Model:

    Office of Scientific and Technical Information (OSTI)

    Application to Neutron-Rich Oxygen and Carbon Isotopes (Journal Article) | SciTech Connect Coupled-Cluster Effective Interactions for the Shell Model: Application to Neutron-Rich Oxygen and Carbon Isotopes Citation Details In-Document Search Title: Ab Initio Coupled-Cluster Effective Interactions for the Shell Model: Application to Neutron-Rich Oxygen and Carbon Isotopes Authors: Jansen, G. R. ; Engel, J. ; Hagen, G. ; Navratil, P. ; Signoracci, A. Publication Date: 2014-10-03 OSTI

  3. Fungal-specific transcription factor AbPf2 activates pathogenicity in Alternaria brassicicola

    SciTech Connect (OSTI)

    Cho, Yangrae; Ohm, Robin A.; Grigoriev, Igor V.; Srivastava, Akhil

    2012-12-03

    Alternaria brassicicola is a successful saprophyte and necrotrophic plant pathogen. To identify molecular determinants of pathogenicity, we created non-pathogenic mutants of a transcription factor-encoding gene, AbPf2. The frequency and timing of germination and appressorium formation on host plants were similar between the non-pathogenic abpf2 mutants and wild-type A. brassicicola. The mutants were also similar in vitro to wild-type A. brassicicola in terms of vegetative growth, conidium production, and responses to a phytoalexin, reactive oxygen species and osmolites. The hyphae of the mutants grew slowly but did not cause disease symptoms on the surface of host plants. Transcripts of the AbPf2 gene increased exponentially soon after wild-type conidia contacted their host plants . A small amount of AbPf2 protein, as monitored using GFP fusions, was present in young, mature conidia. The protein level decreased during saprophytic growth, but increased and was located primarily in fungal nuclei during pathogenesis. Levels of the proteins and transcripts sharply decreased following colonization of host tissues beyond the initial infection site. When expression of the transcription factor was induced in the wild-type during early pathogenesis, 106 fungal genes were also induced in the wild-type but not in the abpf2 mutants. Notably, 33 of the 106 genes encoded secreted proteins, including eight putative effector proteins. Plants inoculated with abpf2 mutants expressed higher levels of genes associated with photosynthesis, the pentose phosphate pathway and primary metabolism, but lower levels of defense-related genes. Our results suggest that AbPf2 is an important regulator of pathogenesis, but does not affect other cellular processes in A. brassicicola.

  4. The RCK Domain of the KtrAB K+ Transporter: Multiple Conformations of an Octameric Ring

    SciTech Connect (OSTI)

    Albright,R.; Vazquez Ibar, J.; Kim, C.; Gruner, S.; Morais-Cabral, J.

    2006-01-01

    The KtrAB ion transporter is a complex of the KtrB membrane protein and KtrA, an RCK domain. RCK domains regulate eukaryotic and prokaryotic membrane proteins involved in K{sup +} transport. Conflicting functional models have proposed two different oligomeric arrangements for RCK domains, tetramer versus octamer. Our results for the KtrAB RCK domain clearly show an octamer in solution and in the crystal. We determined the structure of this protein in three different octameric ring conformations that resemble the RCK-domain octamer observed in the MthK potassium channel but show striking differences in size and symmetry. We present experimental evidence for the association between one RCK octameric ring and two KtrB membrane proteins. These results provide insights into the quaternary organization of the KtrAB transporter and its mechanism of activation and show that the RCK-domain octameric ring model is generally applicable to other ion-transport systems.

  5. Ab initio molecular dynamics simulation of pressure-induced phase transformation of BeO

    SciTech Connect (OSTI)

    Xiao, H. Y.; Duan, G.; Zu, X. T.; Weber, W. J.

    2011-05-05

    Ab initio molecular dynamics (MD) method has been used to study high pressure-induced phase transformation in BeO based on the local density approximation (LDA) and the generalized gradient approximation (GGA). Both methods show that the wurtzite (WZ) and zinc blende (ZB) BeO transforms to the rocksalt (RS) structure smoothly at high pressure. The transition pressures obtained from the LDA method are about 40 GPa larger than the GGA result for both WZ ? RS and ZB ? RS phase transformations, and the phase transformation mechanisms revealed by the LDA and GGA methods are different. For WZ ? RS phase transformations both mechanisms obtained from the LDA and GGA methods are not comparable to the previous ab initio MD simulations of WZ BeO at 700 GPa based on the GGA method. It is suggested that the phase transformation mechanisms of BeO revealed by the ab initio MD simulations are affected remarkably by the exchangecorrelation functional employed and the way of applying pressure.

  6. Accelerating ab initio path integral molecular dynamics with multilevel sampling of potential surface

    SciTech Connect (OSTI)

    Geng, Hua Y.

    2015-02-15

    A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics (AI-PIMD) simulation, without compromising the overall accuracy. To validate the method, the internal energy and free energy of an Einstein crystal are calculated and compared with the analytical solutions. As a preliminary application, we assess the performance of the method in a realistic model—the FCC phase of dense atomic hydrogen, in which the calculated result shows that the acceleration rate is about 3 to 4-fold for a two-level implementation, and can be increased up to 10 times if extrapolation is used. With only 16 beads used for the ab initio potential sampling, this method gives a well converged internal energy. The residual error in pressure is just about 3 GPa, whereas it is about 20 GPa for a plain AI-PIMD calculation with the same number of beads. The vibrational free energy of the FCC phase of dense hydrogen at 300 K is also calculated with an AI-PIMD thermodynamic integration method, which gives a result of about 0.51 eV/proton at a density of r{sub s}=0.912.

  7. IMPLEMENTATION OF A DC BUMP AT THE STORAGE RING INJECTION STRAIGHT SECTION

    SciTech Connect (OSTI)

    Wang, G.M.; Shaftan, T.; Kramer, S.K.; Fliller, R.; Guo, W.; Heese, R.; Yu, L.H.; Parker, B.; Willeke, F.J.

    2011-03-28

    The NSLS II beam injection works with a DC septum, a pulsed septum and four fast kicker magnets. The kicker power supplies each produce a two revolution period pulsed field, 5.2 {micro}s half sine waveform, using {approx}5kA drive voltage. The corresponding close orbit bump amplitude is {approx}15mm. It is desired that the bump is transparent to the users for top-off injection. However, high voltage and short pulse power supplies have challenges to maintain pulse-to-pulse stability and magnet-to-magnet reproducibility. To minimize these issues, we propose implementing a DC local bump on top of the fast bump to reduce the fast kicker strength by a factor of 2/3. This bump uses two storage ring corrector magnets plus one additional magnet at the septum to create a local bump. Additionally, these magnets could provide a DC bump to simulate the septum position effects on the store beam lifetime. This paper presents the detail design of this DC injection bump and related beam dynamics.

  8. Use of Facility Contractor Employees for Services to DOE in the Washington, D.C., Area

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

    2001-07-12

    To clarify and modify policies and procedures for management of Department of Energy (DOE), including National Nuclear Security Administration (NNSA), facility contractor employees located in the Washington, D.C., area. Cancels DOE N 350.5. Certified 12-28-06. Canceled by DOE O 350.2A.

  9. Operation of the DC current transformer intensity monitors at FNAL during run II

    SciTech Connect (OSTI)

    Crisp, J.; Fellenz, B.; Heikkinen, D.; Ibrahim, M.A.; Meyer, T.; Vogel, G.; /Fermilab

    2012-01-01

    Circulating beam intensity measurements at FNAL are provided by five DC current transformers (DCCT), one per machine. With the exception of the DCCT in the Recycler, all DCCT systems were designed and built at FNAL. This paper presents an overview of both DCCT systems, including the sensor, the electronics, and the front-end instrumentation software, as well as their performance during Run II.

  10. Optical Investigations of Dust Particles Distribution in RF and DC Discharges

    SciTech Connect (OSTI)

    Ramazanov, T. S.; Dosbolayev, M. K.; Jumabekov, A. N.; Amangaliyeva, R. Zh.; Filatova, I. I.; Azharonok, V. V.

    2008-09-07

    Optical emission spectroscopy is used to study dust particles movement and conditions of a formation of ordered plasma-dust structures in a capacitively coupled RF discharge. 3D binocular diagnostics of plasma-dust structures in dc discharge was made.

  11. Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture...

    Office of Scientific and Technical Information (OSTI)

    Title: Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture Authors: Navratil, P ; Roth, R ; Quaglioni, S Publication Date: 2011-05-23 OSTI Identifier: 1122228 ...

  12. EXPLORING INTERMEDIATE (5-40 AU) SCALES AROUND AB AURIGAE WITH THE PALOMAR FIBER NULLER

    SciTech Connect (OSTI)

    Khn, J.; Mennesson, B.; Liewer, K.; Martin, S.; Loya, F.; Serabyn, E.; Millan-gabet, R.

    2015-02-10

    We report on recent K{sub s} -band interferometric observations of the young pre-main-sequence star AB Aurigae obtained with the Palomar Fiber Nuller (PFN). Reaching a contrast of a few 10{sup 4} inside a field of view extending from 35 to 275 mas (5-40 AU at AB Aur's distance), the PFN is able to explore angular scales that are intermediate between those accessed by coronagraphic imaging and long baseline interferometry. This intermediate region is of special interest given that many young stellar objects are believed to harbor extended halos at such angular scales. Using destructive interference (nulling) between two sub-apertures of the Palomar 200 inch telescope and rotating the telescope pupil, we measured a resolved circumstellar excess at all probed azimuth angles. The astrophysical null measured over the full rotation is fairly constant, with a mean value of 1.52%, and a slight additional azimuthal modulation of 0.2%. The isotropic astrophysical null is indicative of circumstellar emission dominated by an azimuthally extended source, possibly a halo, or one or more rings of dust, accounting for several percent of the total K{sub s}-band flux. The modest azimuthal variation may be explained by some skewness or anisotropy of the spatially extended source, e.g., an elliptical or spiral geometry, or clumping, but it could also be due to the presence of a point source located at a separation of ?120 mas (17 AU) with ?6 10{sup 3} of the stellar flux. We combine our results with previous Infrared Optical Telescope Array observations of AB Aur at H band, and demonstrate that a dust ring located at ?30 mas (4.3 AU) represents the best-fitting model to explain both sets of visibilities. We are also able to test a few previously hypothesized models of the incoherent component evident at longer interferometric baselines.

  13. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry

    SciTech Connect (OSTI)

    Matthew Neurock; David A. Walthall

    2006-05-07

    One of the greatest societal challenges over the next decade is the production of cheap, renewable energy for the 10 billion people that inhabit the earth. This will require the development of various different energy sources potentially including fuels derived from methane, coal, and biomass and alternatives sources such as solar, wind and nuclear energy. One approach will be to synthesize gasoline and other fuels from simpler hydrocarbons such as CO derived from methane or other U.S. based sources such as coal. Syngas (CO and H{sub 2}) can be readily converted into higher molecular weight hydrocarbons through Fischer-Tropsch synthesis. Fischer-Tropsch synthesis involves the initiation or activation of CO and H{sub 2} bonds, the subsequent propagation steps including hydrogenation and carbon-carbon coupling, followed by chain termination reactions. Commercially viable catalysts include supported Co and Co-alloys. Over the first two years of this project we have used ab initio methods to determine the adsorption energies for all reactants, intermediates, and products along with the overall reaction energies and their corresponding activation barriers over the Co(0001) surface. Over the third year of the project we developed and advanced an ab initio-based kinetic Monte Carlo simulation code to simulate Fischer Tropsch synthesis. This report details our work over the last year which has focused on the derivation of kinetic parameters for the elementary steps involved in FT synthesis from ab initio density functional theoretical calculations and the application of the kinetic Monte Carlo algorithm to simulate the initial rates of reaction for FT over the ideal Co(0001) surface. The results from our simulations over Co(0001) indicate the importance of stepped surfaces for the activation of adsorbed CO. In addition, they demonstrate that the dominant CH{sub x}* surface intermediate under steady state conditions is CH*. This strongly suggests that hydrocarbon coupling occurs through reaction with the adsorbed CH*.

  14. Initial oxidation of TiAl: An ab-initio investigation

    SciTech Connect (OSTI)

    Bakulin, Alexander V. Kulkova, Svetlana E.; Hu, Qing-Miao; Yang, Rui

    2014-11-14

    We present ab-initio investigation of oxygen adsorption up to two monolayer coverage on the stoichiometric TiAl(100) surface to illustrate the initial oxidation stage. The formation of band gap near the Fermi level demonstrates the transformation from metal to oxide surface with increasing oxygen coverage. The oxidation of Ti rather than Al is observed from our electronic structure calculations. The energy barriers of oxygen diffusion between different sites on surface as well as in subsurface and bulk region are derived. It is shown that the diffusion of oxygen is much easier on the surface than that into the subsurface region.

  15. Continuous measurement of blast furnace burden profile at SSAB Tunnplat AB

    SciTech Connect (OSTI)

    Virtala, J.; Edberg, N.; Hallin, M. . Ironmaking Division)

    1993-01-01

    A unique profile meter system is installed on Blast Furnace No. 2 in SSAB - Swedish Steel AB, Lulea, Sweden. This system measures the charge material burden profile across the furnace top diameter before and after each charge. The system generates real-time data, which is graphically presented by the system on a monitor and includes burden descent speed, layer thickness of the coke and ore (corrected for descent), ore to coke ratio, and burden skewing. The system is described along with operational results.

  16. Testing the density matrix expansion against ab initio calculations of trapped neutron drops

    SciTech Connect (OSTI)

    Bogner, S. K.; Hergert, H.; Furnstahl, R. J.; Kortelainen, Erno M; Stoitsov, M. V.; Maris, Pieter; Vary, J. P.

    2011-01-01

    Microscopic input to a universal nuclear energy density functional can be provided through the density matrix expansion (DME), which has recently been revived and improved. Several DME implementation strategies are tested for neutron drop systems in harmonic traps by comparing to Hartree-Fock (HF) and ab initio no-core full configuration (NCFC) calculations with a model interaction (Minnesota potential). The new DME with exact treatment of Hartree contributions is found to best reproduce HF results and supplementing the functional with fit Skyrme-like contact terms shows systematic improvement toward the full NCFC results.

  17. AB INITIO STUDIES OF COKE FORMATION ON NI CATALYSTS DURING METHANE REFORMING

    SciTech Connect (OSTI)

    David S. Sholl

    2003-09-25

    The atomic-scale processes that control the formation of carbon deposits on Ni catalysts in reforming applications are poorly understood. Ab initio Density Functional Theory calculations have been used to examine several key elementary steps in the complex network of chemical reactions that precedes carbon formation on practical catalysts. Attention has been focused on the disproportionation of CO. A comparative study of this reaction on flat and stepped crystal planes of Ni has provided the first direct evidence that surface carbon formation is driven by elementary reactions occurring at defect sites on Ni catalysts.

  18. Ab initio calculations of the electronic structure of silicon nanocrystals doped with shallow donors (Li, P)

    SciTech Connect (OSTI)

    Kurova, N. V. Burdov, V. A.

    2013-12-15

    The results of ab initio calculations of the electronic structure of Si nanocrystals doped with shallow donors (Li, P) are reported. It is shown that phosphorus introduces much more significant distortions into the electronic structure of the nanocrystal than lithium, which is due to the stronger central cell potential of the phosphorus ion. It is found that the Li-induced splitting of the ground state in the conduction band of the nanocrystal into the singlet, doublet, and triplet retains its inverse structure typical for bulk silicon.

  19. Ions in solution: Density corrected density functional theory (DC-DFT)

    SciTech Connect (OSTI)

    Kim, Min-Cheol; Sim, Eunji; Burke, Kieron

    2014-05-14

    Standard density functional approximations often give questionable results for odd-electron radical complexes, with the error typically attributed to self-interaction. In density corrected density functional theory (DC-DFT), certain classes of density functional theory calculations are significantly improved by using densities more accurate than the self-consistent densities. We discuss how to identify such cases, and how DC-DFT applies more generally. To illustrate, we calculate potential energy surfaces of HO·Cl{sup −} and HO·H{sub 2}O complexes using various common approximate functionals, with and without this density correction. Commonly used approximations yield wrongly shaped surfaces and/or incorrect minima when calculated self consistently, while yielding almost identical shapes and minima when density corrected. This improvement is retained even in the presence of implicit solvent.

  20. Demonstration of cathode emittance dominated high bunch charge beams in a DC gun-based photoinjector

    SciTech Connect (OSTI)

    Gulliford, Colwyn Bartnik, Adam Bazarov, Ivan; Dunham, Bruce; Cultrera, Luca

    2015-03-02

    We present the results of transverse emittance and longitudinal current profile measurements of high bunch charge (≥100 pC) beams produced in the DC gun-based Cornell energy recovery linac photoinjector. In particular, we show that the cathode thermal and core beam emittances dominate the final 95% and core emittances measured at 9–9.5 MeV. Additionally, we demonstrate excellent agreement between optimized 3D space charge simulations and measurement, and show that the quality of the transverse laser distribution limits the optimal simulated and measured emittances. These results, previously thought achievable only with RF guns, demonstrate that DC gun based photoinjectors are capable of delivering beams with sufficient single bunch charge and beam quality suitable for many current and next generation accelerator projects such as Energy Recovery Linacs and Free Electron Lasers.

  1. If you reside in WASHINGTON, DC - MD -VA- WV your salary will range from:

    National Nuclear Security Administration (NNSA)

    If you are employed in the WASHINGTON, DC Metropolitan Area (D.C., Baltimore, Northern VA, Eastern WV, and Southern PA) your salary will range from: Pay Band Pay Plan(s) Minimum Maximum Developmental EN $49,246 $74,872 01 EK/EJ $34,075 $58,511 02 EK/EJ $51,630 $84,855 03 EK/EJ/EN $74,872 $119,238 04 EK/EJ/EN $105,211 $165,300 05 EK/EJ/EN $148,510 $165,300 If you are employed in OAKLAND/LIVERMORE, CA your salary will range from: Pay Band Pay Plan(s) Minimum Maximum Developmental EN $53,579

  2. Photon assisted processes: Probability amplitudes for the absorption and emission of photons and dc-photocurrents

    SciTech Connect (OSTI)

    Micu, C.; Racolta, D.; Papp, E.

    2014-11-24

    In this paper one deals with the derivation of probability amplitudes characterizing the photon assisted injection of electrons in a two-terminal quantum conductor. For this purpose one accounts for spatially constant but time dependent periodic voltages applied on an Ohmic contact. Resorting to the discrete Fourier transform provides the probability amplitudes for the emission and absorption of photons in terms of squared Bessel functions of the first kind and integer order. Several kinds of ac-pulses like sinusoidal and dc+sinusoidal are assumed. Mean square values concerning photon numbers have been discussed in some more detail. Time averages of squared time dependent classical currents and leading corrections to the rescaled dc-photocurrent have also been accounted for.

  3. Switch contact device for interrupting high current, high voltage, AC and DC circuits

    DOE Patents [OSTI]

    Via, Lester C.; Witherspoon, F. Douglas; Ryan, John M.

    2005-01-04

    A high voltage switch contact structure capable of interrupting high voltage, high current AC and DC circuits. The contact structure confines the arc created when contacts open to the thin area between two insulating surfaces in intimate contact. This forces the arc into the shape of a thin sheet which loses heat energy far more rapidly than an arc column having a circular cross-section. These high heat losses require a dramatic increase in the voltage required to maintain the arc, thus extinguishing it when the required voltage exceeds the available voltage. The arc extinguishing process with this invention is not dependent on the occurrence of a current zero crossing and, consequently, is capable of rapidly interrupting both AC and DC circuits. The contact structure achieves its high performance without the use of sulfur hexafluoride.

  4. Method of measuring the dc electric field and other tokamak parameters

    DOE Patents [OSTI]

    Fisch, Nathaniel J.; Kirtz, Arnold H.

    1992-01-01

    A method including externally imposing an impulsive momentum-space flux to perturb hot tokamak electrons thereby producing a transient synchrotron radiation signal, in frequency-time space, and the inference, using very fast algorithms, of plasma parameters including the effective ion charge state Z.sub.eff, the direction of the magnetic field, and the position and width in velocity space of the impulsive momentum-space flux, and, in particular, the dc toroidal electric field.

  5. PPPL engineers design and build state-of-the-art controller for AC to DC

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

    converter that manages plasma in upgraded fusion machine | Princeton Plasma Physics Lab PPPL engineers design and build state-of-the-art controller for AC to DC converter that manages plasma in upgraded fusion machine By Raphael Rosen March 7, 2016 Tweet Widget Google Plus One Share on Facebook PPPL scientists Robert Mozulay and Weiguo Que (Photo by Hans Schneider) PPPL scientists Robert Mozulay and Weiguo Que Gallery: A digital firing generator installed in NSTX-U (Photo by Hans Schneider)

  6. VUV generation by adiabatically expanded and excited by a DC electrical discharge Argon gas

    SciTech Connect (OSTI)

    Pipergias, K.; Yasemidis, D.; Reppa, E.; Pentaris, D.; Efthimiopoulos, T.; Merlemis, N.; Giannetas, V.

    2010-11-10

    We investigate the emission of Argon (Ar) gas which is adiabatically expanded through a nozzle and excited using a DC electrical discharge. Because of the expansion and the electronic excitation, Ar dimers and clusters are formed, which give radiation in the second (2nd) and in the third (3rd) continua of Ar, centered at about 126 and 254 nm respectively. We particularly focus our study on the 2nd continuum, in order to develop a laser at this wavelength.

  7. D-C electric arc furnace -- A trend-setting technology in steelmaking

    SciTech Connect (OSTI)

    Muller, H.G.; Patuzzi, A.A. ); Nix, E.H. )

    1994-05-01

    Advantages of the d-c furnace in comparison with the a-c system include: a major reduction in electrode consumption; lower power consumption; less flicker; and improved temperature and composition control. Of the four basic types of bottom electrode (anode) design, the fin-type system provides closer control of arc behavior. With a current maximum tapping weight of 150 tons, full potential is limited by the maximum diameter of available electrodes.

  8. Method and apparatus for generating radiation utilizing DC to AC conversion with a conductive front

    DOE Patents [OSTI]

    Dawson, John M.; Mori, Warren B.; Lai, Chih-Hsiang; Katsouleas, Thomas C.

    1998-01-01

    Method and apparatus for generating radiation of high power, variable duration and broad tunability over several orders of magnitude from a laser-ionized gas-filled capacitor array. The method and apparatus convert a DC electric field pattern into a coherent electromagnetic wave train when a relativistic ionization front passes between the capacitor plates. The frequency and duration of the radiation is controlled by the gas pressure and capacitor spacing.

  9. Method and apparatus for generating radiation utilizing DC to AC conversion with a conductive front

    DOE Patents [OSTI]

    Dawson, J.M.; Mori, W.B.; Lai, C.H.; Katsouleas, T.C.

    1998-07-14

    Method and apparatus ar disclosed for generating radiation of high power, variable duration and broad tunability over several orders of magnitude from a laser-ionized gas-filled capacitor array. The method and apparatus convert a DC electric field pattern into a coherent electromagnetic wave train when a relativistic ionization front passes between the capacitor plates. The frequency and duration of the radiation is controlled by the gas pressure and capacitor spacing. 4 figs.

  10. Ultraviolet and electron irradiation of DC-704 siloxane oil in zinc orthotitanate paint

    SciTech Connect (OSTI)

    Mossman, D.L.; Barsh, M.K.; Greenberg, S.A.

    1982-01-01

    Discrepancies exist between accelerated laboratory simulation and geosynchronous orbit flight data for zinc orthotitanate (ZOT) paint degradation. The effects of ultraviolet and electron irradiation on ZOT contaminated with DC-704 silicone oil are reported. In-situ solar absorptance and emittance changes for contaminated and clean specimens are discussed with reference to post-test surface morphology, determined by scanning electron microscope analysis. Features of the contaminated ZOT degradation kinetics correlate with orbital performance.

  11. DOE/EIA-0202(86/3Q) Energy Information Administration Washington, DC

    Gasoline and Diesel Fuel Update (EIA)

    3Q) Energy Information Administration Washington, DC Energy Outlook Quarterly Projections July 1986 t rt ort .ort lort lort nort iort lort \ort ort Tt "t- . m .erm Term Term Term Term Term Term Term Term Term Term Term Term Term Term Term xrm uergy Energy Energy Energy Energy Energy Energy Energy Energy Energy Energy Energy Energy Energy Energy Energy Energy Energy Energy Energy Energy Enbrgy ^nergy -OJ.VJUK Outlook Outlook Outlook Outlook Outlook Outlook Outlook Outlook Outlook Outlook

  12. A Presentation for the DOE EIA 2013 Energy Conference, Washington, DC

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

    global leader in natural gas engines. Powering transportation. Driving change. The Future of Natural Gas as a Transportation Fuel A Presentation for the DOE EIA 2013 Energy Conference, Washington, DC Dr. Michael Gallagher June 17, 2013 Secretary's Request Examine ways to accelerate future transportation fuels prospects through 2050 Address four critical areas: fuel demand, supply, infrastructure and technology Answer this key question: How can governments stimulate the technological advances and

  13. Construction, Qualification, and Low Rate Production Start-up of a DC Bus

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

    Capacitor High Volume Manufacturing Facility with Capacity to Support 100,000 Electric Drive Vehicles | Department of Energy 2 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting PDF icon arravt029_ape_sawyer_2012_p.pdf More Documents & Publications Construction, Qualification, and Low Rate Production Start-up of a DC Bus Capacitor High Volume Manufacturing Facility with Capacity to Support 100,000 Electric Drive Vehicles

  14. Construction, Qualification, and Low Rate Production Start-up of a DC Bus

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

    Capacitor High Volume Manufacturing Facility with Capacity to Support 100,000 Electric Drive Vehicles | Department of Energy 1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon arravt029_ape_sawyer_2011_p.pdf More Documents & Publications Construction, Qualification, and Low Rate Production Start-up of a DC Bus Capacitor High Volume Manufacturing Facility with Capacity to Support 100,000 Electric Drive Vehicles

  15. D.C. Community Comes Together in the Name of Sustainability, Affordability

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

    | Department of Energy Community leaders and members of the The New School for Design and Stevens Institute of Technology Solar Decathlon team.| Courtesy of Lisa Bleich Community leaders and members of the The New School for Design and Stevens Institute of Technology Solar Decathlon team.| Courtesy of Lisa Bleich Erin R. Pierce Erin R. Pierce Former Digital Communications Specialist, Office of Public Affairs What are the key facts? This 2011 Solar Decathlon team is partnering with D.C.

  16. Final New England Clean Power Link Project Environmental Impact Statement Appendix A-B

    Energy Savers [EERE]

    A U.S. Department of Energy October 2015 A-1 APPENDIX A SCOPING SUMMARY REPORT Final New England Clean Power Link EIS Appendix A U.S. Department of Energy October 2015 A-2 This Page Intentionally Left Blank SCOPING SUMMARY REPORT NEW ENGLAND CLEAN POWER LINK TRANSMISSION LINE PROJECT ENVIRONMENTAL IMPACT STATEMENT U.S. Department of Energy Office of Electricity Delivery and Energy Reliability Washington, DC 20585 Cooperating Agencies: U.S. Environmental Protection Agency U.S. Army Corps of

  17. GPFA-AB_Phase1RiskAnalysisTask5DataUpload

    SciTech Connect (OSTI)

    Teresa E. Jordan

    2015-09-30

    This submission contains information used to compute the risk factors for the GPFA-AB project (DE-EE0006726). The risk factors are natural reservoir quality, thermal resource quality, potential for induced seismicity, and utilization. The methods used to combine the risk factors included taking the product, sum, and minimum of the four risk factors. The files are divided into images, rasters, shapefiles, and supporting information. The image files show what the raster and shapefiles should look like. The raster files contain the input risk factors, calculation of the scaled risk factors, and calculation of the combined risk factors. The shapefiles include definition of the fairways, definition of the US Census Places, the center of the raster cells, and locations of industries. Supporting information contains details of the calculations or processing used in generating the files. An image of the raster will have the same name except *.png as the file ending instead of *.tif. Images with “fairways” or “industries” added to the name are composed of a raster with the relevant shapefile added. The file About_GPFA-AB_Phase1RiskAnalysisTask5DataUpload.pdf contains information the citation, special use considerations, authorship, etc. More details on each file are given in the spreadsheet “list_of_contents.csv” in the folder “SupportingInfo”. Code used to calculate values is available at https://github.com/calvinwhealton/geothermal_pfa under the folder “combining_metrics”.

  18. GPFA-AB_Phase1RiskAnalysisTask5DataUpload

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

    Teresa E. Jordan

    2015-09-30

    This submission contains information used to compute the risk factors for the GPFA-AB project (DE-EE0006726). The risk factors are natural reservoir quality, thermal resource quality, potential for induced seismicity, and utilization. The methods used to combine the risk factors included taking the product, sum, and minimum of the four risk factors. The files are divided into images, rasters, shapefiles, and supporting information. The image files show what the raster and shapefiles should look like. The raster files contain the input risk factors, calculation of the scaled risk factors, and calculation of the combined risk factors. The shapefiles include definition of the fairways, definition of the US Census Places, the center of the raster cells, and locations of industries. Supporting information contains details of the calculations or processing used in generating the files. An image of the raster will have the same name except *.png as the file ending instead of *.tif. Images with fairways or industries added to the name are composed of a raster with the relevant shapefile added. The file About_GPFA-AB_Phase1RiskAnalysisTask5DataUpload.pdf contains information the citation, special use considerations, authorship, etc. More details on each file are given in the spreadsheet list_of_contents.csv in the folder SupportingInfo. Code used to calculate values is available at https://github.com/calvinwhealton/geothermal_pfa under the folder combining_metrics.

  19. 4He+n+n continuum within an ab initio framework

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

    Romero-Redondo, Carolina; Quaglioni, Sofia; Navratil, Petr; Hupin, Guillaume

    2014-07-16

    In this study, the low-lying continuum spectrum of the 6He nucleus is investigated for the first time within an ab initio framework that encompasses the 4He+n+n three-cluster dynamics characterizing its lowest decay channel. This is achieved through an extension of the no-core shell model combined with the resonating-group method, in which energy-independent nonlocal interactions among three nuclear fragments can be calculated microscopically, starting from realistic nucleon-nucleon interactions and consistent ab initio many-body wave functions of the clusters. The three-cluster Schrödinger equation is solved with three-body scattering boundary conditions by means of the hyperspherical-harmonics method on a Lagrange mesh. Using amore » soft similarity-renormalization-group evolved chiral nucleon-nucleon potential, we find the known Jπ = 2+ resonance as well as a result consistent with a new low-lying second 2+ resonance recently observed at GANIL at ~2.6 MeV above the He6 ground state. We also find resonances in the 2–, 1+, and 0– channels, while no low-lying resonances are present in the 0+ and 1– channels.« less

  20. Ground state analytical ab initio intermolecular potential for the Cl{sub 2}-water system

    SciTech Connect (OSTI)

    Hormain, Laureline; Monnerville, Maurice Toubin, Cline; Duflot, Denis; Pouilly, Brigitte; Briquez, Stphane; Bernal-Uruchurtu, Margarita I.; Hernndez-Lamoneda, Ramn

    2015-04-14

    The chlorine/water interface is of crucial importance in the context of atmospheric chemistry. Modeling the structure and dynamics at this interface requires an accurate description of the interaction potential energy surfaces. We propose here an analytical intermolecular potential that reproduces the interaction between the Cl{sub 2} molecule and a water molecule. Our functional form is fitted to a set of high level ab initio data using the coupled-cluster single double (triple)/aug-cc-p-VTZ level of electronic structure theory for the Cl{sub 2} ? H{sub 2}O complex. The potential fitted to reproduce the three minima structures of 1:1 complex is validated by the comparison of ab initio results of Cl{sub 2} interacting with an increasing number of water molecules. Finally, the model potential is used to study the physisorption of Cl{sub 2} on a perfectly ordered hexagonal ice slab. The calculated adsorption energy, in the range 0.27 eV, shows a good agreement with previous experimental results.

  1. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry

    SciTech Connect (OSTI)

    Matthew Neurock

    2005-06-13

    As petroleum prices continue to rise and the United States seeks to reduce its dependency on foreign oil, there is a renewed interest in the research and development of more efficient and alternative energy sources, such as fuel cells. One approach is to utilize processes that can produce long-chain hydrocarbons from other sources. One such reaction is Fischer-Tropsch synthesis. Fischer-Tropsch synthesis is a process by which syngas (CO and H{sub 2}) is converted to higher molecular weight hydrocarbons. The reaction involves a complex set of bond-breaking and bond-making reactions, such as CO and H{sub 2} activation, hydrocarbon hydrogenation reactions, and hydrocarbon coupling reactions. This report details our initial construction of an ab initio based kinetic Monte Carlo code that can be used to begin to simulate Fischer-Tropsch synthesis over model Co(0001) surfaces. The code is based on a stochastic kinetic formalism that allows us to explicitly track the transformation of all reactants, intermediates and products. The intrinsic kinetics for the simulations were derived from the ab initio results that we reported in previous year summaries.

  2. Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

    SciTech Connect (OSTI)

    Han, Huixian; Li, Anyang; Guo, Hua

    2014-12-28

    A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S{sub 0}) electronic state has been constructed by fitting ?37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm{sup ?1}. The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies up to 12 700 cm{sup ?1} above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction.

  3. Operator evolution for ab initio electric dipole transitions of 4He

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

    Schuster, Micah D.; Quaglioni, Sofia; Johnson, Calvin W.; Jurgenson, Eric D.; Navartil, Petr

    2015-07-24

    A goal of nuclear theory is to make quantitative predictions of low-energy nuclear observables starting from accurate microscopic internucleon forces. A major element of such an effort is applying unitary transformations to soften the nuclear Hamiltonian and hence accelerate the convergence of ab initio calculations as a function of the model space size. The consistent simultaneous transformation of external operators, however, has been overlooked in applications of the theory, particularly for nonscalar transitions. We study the evolution of the electric dipole operator in the framework of the similarity renormalization group method and apply the renormalized matrix elements to the calculationmore » of the 4He total photoabsorption cross section and electric dipole polarizability. All observables are calculated within the ab initio no-core shell model. Furthermore, we find that, although seemingly small, the effects of evolved operators on the photoabsorption cross section are comparable in magnitude to the correction produced by including the chiral three-nucleon force and cannot be neglected.« less

  4. Washington, DC'

    Office of Legacy Management (LM)

    If you have any questionsplease feel free to.call me at 3dli427-1721 or Dr. W. Alexander Williams (301-427-17.19) of my staff...; : , Enclosures 'Off-SiteSavannah RiverDivision ...

  5. Residential Energy Efficiency Research Planning Meeting Summary Report: Washington, D.C. - October 27-28, 2011

    SciTech Connect (OSTI)

    Not Available

    2012-02-01

    This report summarizes key findings and outcomes from the U.S. Department of Energy's Building America Residential Energy Efficiency Research Planning meeting, held on October 28-29, 2011, in Washington, D.C.

  6. Vehicle Technologies Office Merit Review 2014: DC Fast Charging Effects on Battery Life and EVSE Efficiency and Security Testing

    Broader source: Energy.gov [DOE]

    Presentation given by Idaho National Laboratory at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about DC fast charging...

  7. Data:12a45141-7972-4ec8-a2dc-37fedc8133d3 | Open Energy Information

    Open Energy Info (EERE)

    ec8-a2dc-37fedc8133d3 No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic...

  8. Comparative Study of DC and AC Microgrids in Commercial Buildings Across Different Climates and Operating Profiles: Preprint

    SciTech Connect (OSTI)

    Fregosi, D.; Ravula, S.; Brhlik, D.; Saussele, J.; Frank, S.; Bonnema, E.; Scheib, J.; Wilson, E.

    2015-04-22

    Bosch has developed and demonstrated a novel DC microgrid system designed to maximize utilization efficiency for locally generated photovoltaic energy while offering high reliability, safety, redundancy, and reduced cost compared to equivalent AC systems. Several demonstration projects validating the system feasibility and expected efficiency gains have been completed and additional ones are in progress. This work gives an overview of the Bosch DC microgrid system and presents key results from a large simulation study done to estimate the energy savings of the Bosch DC microgrid over conventional AC systems. The study examined the system performance in locations across the United States for several commercial building types and operating profiles and found that the Bosch DC microgrid uses generated PV energy 6%–8% more efficiently than traditional AC systems.

  9. Low-altitude remote sensing dataset of DEM and RGB mosaic for AB corridor on July 13 2013 and L2 corridor on July 21 2013

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

    Baptiste Dafflon

    2015-04-07

    Low-altitude remote sensing dataset including DEM and RGB mosaic for AB (July 13 2013) and L2 corridor (July 21 2013)

  10. Imaging findings and pharmacokinetics of 111-indium ZME-018 monoclonal antibody (MoAb) in malignant melanoma

    SciTech Connect (OSTI)

    Murray, J.L.; Rosenblum, M.; Lamki, L.; Haynie, T.P.; Glenn, H.; Jahns, M.; Plager, C.; Hersh, E.M.; Unger, M.; Carlo, D.L.

    1985-05-01

    13 patients with metastatic melanoma were studied using 5 mCi of In-111 labeled MoAb ZME-018 which reacts with GP 240 melanoma-associated antigen. The MoAb was infused over 2 h at doses of 2.5 mg (5 pts), 5 mg (5 pts), and 10 mg (3 pts). Total body tomograms and planar spot views with region of interest analysis were performed at 4, 24 and 72 hours post infusion. No adverse side effects were noted. There was rapid distribution to spleen, bone, bone marrow, liver, and testes. Tumor sites could be visualized as early as 24 hours but were more easily seen at 72 hours when the background activity was less. 20 of 46 (43%) previously documented metastases were identified. More sites imaged with increasing concentrations of MoAB, I.E., 25% at 2.5 mg; 67% at 5 mg; 70% at 10 mg. Tumor localization occurred in a significant number of patients especially at MoAb doses above 2.5 mg. In two instances, uptake of 111-In occurred in previously undiagnosed sites. The pharmacokinetics of MoAb were analyzed at each dose level. At the 5 mg dose, the terminal phase half-life for 111-In in plasma was 24.5 +- 2.7 hours. The apparent volume of distribution (Vd) was 4.03 +- 5iota similar to the plasma value, and the calculated clearance rate for 111-In label was 0.0259 + 0.002 ml/kg/min. Mean urinary excretion of 111-In label was 8.7 +- 0.6% of the administered dose over 48 hours after administration. The calculated pharmacokinetic parameters were independent of antibody dose. ZME 018 was cleared more rapidly from plasma, compared to previous studies with P97 antimelanoma MoAb.

  11. Electronic states of lithium passivated germanium nanowires: An ab-initio study

    SciTech Connect (OSTI)

    Trejo, A.; Carvajal, E.; Vzquez-Medina, R.; Cruz-Irisson, M.

    2014-05-15

    A study of the electronic and structural properties of germanium nanowires (GeNWs) was performed using the ab-initio Density Functional Theory within the generalized gradient approximation where electron-ion interactions are described by ultrasoft pseudopotentials. To study the effects of the lithium in the surface of the GeNWs we compare the electronic band structures of Hydrogen passivated GeNWs with those of partial and totally Li passivated GeNWs. The nanowires were constructed in the [001], [111] and [110] directions, using the supercell model to create different wire diameters. The results show that in the case of partial Li passivation there are localized orbitals near the valence band maximum, which would create a p-doped-kind of state. The total Li passivation created metallic states for all the wires.

  12. Quantum fluctuations and isotope effects in ab initio descriptions of water

    SciTech Connect (OSTI)

    Wang, Lu; Markland, Thomas E.; Ceriotti, Michele

    2014-09-14

    Isotope substitution is extensively used to investigate the microscopic behavior of hydrogen bonded systems such as liquid water. The changes in structure and stability of these systems upon isotope substitution arise entirely from the quantum mechanical nature of the nuclei. Here, we provide a fully ab initio determination of the isotope exchange free energy and fractionation ratio of hydrogen and deuterium in water treating exactly nuclear quantum effects and explicitly modeling the quantum nature of the electrons. This allows us to assess how quantum effects in water manifest as isotope effects, and unravel how the interplay between electronic exchange and correlation and nuclear quantum fluctuations determine the structure of the hydrogen bond in water.

  13. Classification of octet AB-type binary compounds using dynamical charges: A materials informatics perspective

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

    Pilania, G.; Gubernatis, J. E.; Lookman, T.

    2015-12-03

    The role of dynamical (or Born effective) charges in classification of octet AB-type binary compounds between four-fold (zincblende/wurtzite crystal structures) and six-fold (rocksalt crystal structure) coordinated systems is discussed. We show that the difference in the dynamical charges of the fourfold and sixfold coordinated structures, in combination with Harrison’s polarity, serves as an excellent feature to classify the coordination of 82 sp–bonded binary octet compounds. We use a support vector machine classifier to estimate the average classification accuracy and the associated variance in our model where a decision boundary is learned in a supervised manner. Lastly, we compare the out-of-samplemore » classification accuracy achieved by our feature pair with those reported previously.« less

  14. GPFA-AB_Phase1GeologicReservoirsContentModel10_26_2015.xls

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

    Teresa E. Jordan

    2015-09-30

    This dataset conforms to the Tier 3 Content Model for Geologic Reservoirs Version 1.0. It contains the known hydrocarbon reservoirs within the study area of the GPFA-AB Phase 1 Task 2, Natural Reservoirs Quality Analysis (Project DE-EE0006726). The final values for Reservoir Productivity Index (RPI) and uncertainty (in terms of coefficient of variation, CV) are included. RPI is in units of liters per MegaPascal-second (L/MPa-s), quantified using permeability, thickness of formation, and depth. A higher RPI is more optimal. Coefficient of Variation (CV) is the ratio of the standard deviation to the mean RPI for each reservoir. A lower CV is more optimal. Details on these metrics can be found in the Reservoirs_Methodology_Memo.pdf uploaded to the Geothermal Data Repository Node of the NGDS in October of 2015.

  15. Classification of octet AB-type binary compounds using dynamical charges: A materials informatics perspective

    SciTech Connect (OSTI)

    Pilania, G.; Gubernatis, J. E.; Lookman, T.

    2015-12-03

    The role of dynamical (or Born effective) charges in classification of octet AB-type binary compounds between four-fold (zincblende/wurtzite crystal structures) and six-fold (rocksalt crystal structure) coordinated systems is discussed. We show that the difference in the dynamical charges of the fourfold and sixfold coordinated structures, in combination with Harrison’s polarity, serves as an excellent feature to classify the coordination of 82 sp–bonded binary octet compounds. We use a support vector machine classifier to estimate the average classification accuracy and the associated variance in our model where a decision boundary is learned in a supervised manner. Lastly, we compare the out-of-sample classification accuracy achieved by our feature pair with those reported previously.

  16. Ab initio study of formation, migration and binding properties of helium-vacancy clusters in aluminum

    SciTech Connect (OSTI)

    Yang, Li; Zu, Xiaotao T.; Gao, Fei

    2008-08-01

    Ab initio calculations based on density functional theory have been performed to study the dissolution and migration of helium, and the stability of small helium-vacancy clusters HenVm (n, m=0 to 4) in aluminum. The results indicate that the octahedral configuration is more stable than the tetrahedral. Interstitial helium atoms are predicted to have attractive interactions and jump between two octahedral sites via an intermediate tetrahedral site with low migration energy of 0.10 eV. The binding energies of an interstitial He atom and an isolated vacancy to a HenVm cluster are also obtained from the calculated formation energies of the clusters. We find that the divacancy and tri--vacancy clusters are not stable, but He atoms can increase the stability of vacancy clusters. The interactions of He atoms with a vacancy are found to be in good agreement with the experimental results.

  17. An ab initio approach to free-energy reconstruction using logarithmic mean force dynamics

    SciTech Connect (OSTI)

    Nakamura, Makoto Obata, Masao; Morishita, Tetsuya; Oda, Tatsuki; Institute of Science and Engineering, Kanazawa University, Kanazawa 920-1192

    2014-05-14

    We present an ab initio approach for evaluating a free energy profile along a reaction coordinate by combining logarithmic mean force dynamics (LogMFD) and first-principles molecular dynamics. The mean force, which is the derivative of the free energy with respect to the reaction coordinate, is estimated using density functional theory (DFT) in the present approach, which is expected to provide an accurate free energy profile along the reaction coordinate. We apply this new method, first-principles LogMFD (FP-LogMFD), to a glycine dipeptide molecule and reconstruct one- and two-dimensional free energy profiles in the framework of DFT. The resultant free energy profile is compared with that obtained by the thermodynamic integration method and by the previous LogMFD calculation using an empirical force-field, showing that FP-LogMFD is a promising method to calculate free energy without empirical force-fields.

  18. Experimental and ab initio study of the photofragmentation of DNA and RNA sugars

    SciTech Connect (OSTI)

    Ha, D. T.; Huels, M. A.; Huttula, M.; Urpelainen, S.; Kukk, E.

    2011-09-15

    The photoelectron-photoion-photoion coincidence method is used to measure the photodissociation of doubly charged D-ribose (C{sub 5}H{sub 10}O{sub 5}), the RNA sugar molecules, and 2-deoxy-D-ribose (C{sub 5}H{sub 10}O{sub 4}), the DNA sugar molecules, following normal Auger decay after initial C 1s and O 1s core ionizations. The fragment identification is facilitated by measuring isotopically labeled D-ribose, such as D-ribose deuterated at C(1), and with {sup 13}C at the C(5) position. Ab initio quantum chemistry calculations are used to gain further insight into the abundant appearance of the CHO{sup +} fragment.

  19. AB INITIO STUDIES OF COKE FORMATION ON NI CATALYSTS DURING METHANE REFORMING

    SciTech Connect (OSTI)

    David S. Sholl

    2004-09-25

    The atomic-scale processes that control the formation of carbon deposits on Ni catalysts in reforming applications are poorly understood. Ab initio Density Functional Theory calculations have been used to examine several key elementary steps in the complex network of chemical reactions that precedes carbon formation on practical catalysts. Attention has been focused on the disproportionation of CO. A comparative study of this reaction on flat and stepped crystal planes of Ni has provided the first direct evidence that surface carbon formation is driven by elementary reactions occurring at defect sites on Ni catalysts. The adsorption and diffusion of atomic H on several flat and stepped Ni surfaces has also been characterized experimentally.

  20. Ab Initio Studies of Coke Formation on Ni Catalysts During Methane Reforming

    SciTech Connect (OSTI)

    David S. Sholl

    2006-03-05

    The atomic-scale processes that control the formation of carbon deposits on Ni catalysts in reforming applications are poorly understood. Ab initio Density Functional Theory calculations have been used to examine several key elementary steps in the complex network of chemical reactions that precedes carbon formation on practical catalysts. Attention has been focused on the disproportionation of CO. A comparative study of this reaction on flat and stepped crystal planes of Ni has provided the first direct evidence that surface carbon formation is driven by elementary reactions occurring at defect sites on Ni catalysts. The adsorption and diffusion of atomic H on several flat and stepped Ni surfaces has also been characterized experimentally.

  1. Pressure effect on elastic anisotropy of crystals from ab initio simulations: The case of silicate garnets

    SciTech Connect (OSTI)

    Mahmoud, A.; Erba, A. Dovesi, R.; Doll, K.

    2014-06-21

    A general methodology has been devised and implemented into the solid-state ab initio quantum-mechanical CRYSTAL program for studying the evolution under geophysical pressure of the elastic anisotropy of crystalline materials. This scheme, which fully exploits both translational and point symmetry of the crystal, is developed within the formal frame of one-electron Hamiltonians and atom-centered basis functions. Six silicate garnet end-members, among the most important rock-forming minerals of the Earth's mantle, are considered, whose elastic anisotropy is fully characterized under high hydrostatic compressions, up to 60 GPa. The pressure dependence of azimuthal anisotropy and shear-wave birefringence of seismic wave velocities for these minerals are accurately simulated and compared with available single-crystal measurements.

  2. Ab initio calculations of singlet and triplet excited states of chlorine nitrate and nitric acid

    SciTech Connect (OSTI)

    Grana, A.M.; Head-Gordon, M. |; Lee, T.J.

    1995-03-16

    Ab initio calculations of vertical excitations to single and triplet excited states of chlorine nitrate and nitric acid are reported, using the CIS, CIS(D), and CCSD methods. The effects of basis set composition and calculational methods are investigated. The nature of the electronic transitions are examined by decomposing the difference density into the sum of detachment and attachment densities. Counterparts for the three lowest singlet excited states of nitric acid survive relatively unperturbed in chlorine nitrate, while other low lying singlet states of chlorine nitrate appear to be directly dissociative in the CIO chromophore. These results suggest an assignment of the two main peaks in the experimental chlorine nitrate absorption spectrum. In addition, triplet vertical excitations and the lowest optimized triplet geometries of both molecules are studied. 70 refs., 2 figs., 6 tabs.

  3. Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging

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

    Makhov, Dmitry V.; Saita, Kenichiro; Martinez, Todd J.; Shalashilin, Dmitrii V.

    2014-12-11

    In this study, we report a detailed computational simulation of the photodissociation of pyrrole using the ab initio Multiple Cloning (AIMC) method implemented within MOLPRO. The efficiency of the AIMC implementation, employing train basis sets, linear approximation for matrix elements, and Ehrenfest configuration cloning, allows us to accumulate significant statistics. We calculate and analyze the total kinetic energy release (TKER) spectrum and Velocity Map Imaging (VMI) of pyrrole and compare the results directly with experimental measurements. Both the TKER spectrum and the structure of the velocity map image (VMI) are well reproduced. Previously, it has been assumed that the isotropicmore » component of the VMI arises from long time statistical dissociation. Instead, our simulations suggest that ultrafast dynamics contributes significantly to both low and high energy portions of the TKER spectrum.« less

  4. AB INITIO Modeling of Thermomechanical Properties of Mo-Based Alloys for Fossil Energy Conversion

    SciTech Connect (OSTI)

    Ching, Wai-Yim

    2013-12-31

    In this final scientific/technical report covering the period of 3.5 years started on July 1, 2011, we report the accomplishments on the study of thermo-mechanical properties of Mo-based intermetallic compounds under NETL support. These include computational method development, physical properties investigation of Mo-based compounds and alloys. The main focus is on the mechanical and thermo mechanical properties at high temperature since these are the most crucial properties for their potential applications. In particular, recent development of applying ab initio molecular dynamic (AIMD) simulations to the T1 (Mo{sub 5}Si{sub 3}) and T2 (Mo{sub 5}SiB{sub 2}) phases are highlighted for alloy design in further improving their properties.

  5. Self-oscillating AB diblock copolymer developed by post modification strategy

    SciTech Connect (OSTI)

    Ueki, Takeshi E-mail: ryo@cross.t.u-tokyo.ac.jp; Onoda, Michika; Tamate, Ryota; Yoshida, Ryo E-mail: ryo@cross.t.u-tokyo.ac.jp; Shibayama, Mitsuhiro

    2015-06-15

    We prepared AB diblock copolymer composed of hydrophilic poly(ethylene oxide) segment and self-oscillating polymer segment. In the latter segment, ruthenium tris(2,2?-bipyridine) (Ru(bpy){sub 3}), a catalyst of the Belousov-Zhabotinsky reaction, is introduced into the polymer architecture based on N-isopropylacrylamide (NIPAAm). The Ru(bpy){sub 3} was introduced into the polymer segment by two methods; (i) direct random copolymerization (DP) of NIPAAm and Ru(bpy){sub 3} vinyl monomer and (ii) post modification (PM) of Ru(bpy){sub 3} with random copolymer of NIPAAm and N-3-aminopropylmethacrylamide. For both the diblock copolymers, a bistable temperature region (the temperature range; ?T{sub m}), where the block copolymer self-assembles into micelle at reduced Ru(bpy){sub 3}{sup 2+} state whereas it breaks-up into individual polymer chain at oxidized Ru(bpy){sub 3}{sup 3+} state, monotonically extends as the composition of the Ru(bpy){sub 3} increases. The ?T{sub m} of the block copolymer prepared by PM is larger than that by DP. The difference in ?T{sub m} is rationalized from the statistical analysis of the arrangement of the Ru(bpy){sub 3} moiety along the self-oscillating segments. By using the PM method, the well-defined AB diblock copolymer having ?T{sub m} (ca. 25?C) large enough to cause stable self-oscillation can be prepared. The periodic structural transition of the diblock copolymer in a dilute solution ([Polymer]?=?0.1?wt.?%) is closely investigated in terms of the time-resolved dynamic light scattering technique at constant temperature in the bistable region. A macroscopic viscosity oscillation of a concentrated polymer solution (15?wt.?%) coupled with the periodic microphase separation is also demonstrated.

  6. Pulsed DC magnetron sputtered piezoelectric thin film aluminum nitride – Technology and piezoelectric properties

    SciTech Connect (OSTI)

    Stoeckel, C. Kaufmann, C.; Hahn, R.; Schulze, R.; Billep, D.; Gessner, T.

    2014-07-21

    Pulsed DC magnetron sputtered aluminum nitride (AlN) thin films are prepared on several seed layers and at different sputtering conditions. The piezoelectric c-axis (002) orientation of the AlN is analyzed with X-ray diffraction method. The transverse piezoelectric coefficient d{sub 31} is determined with a Laser-Doppler-Vibrometer at cantilevers and membranes by analytical calculations and finite element method. Additionally, thin film AlN on bulk silicon is used to characterize the longitudinal piezoelectric charge coefficient d{sub 33}.

  7. PPPL engineers design and build state-of-the-art controller for AC to DC

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

    converter that manages plasma in upgraded fusion machine | Princeton Plasma Physics Lab PPPL engineers design and build state-of-the-art controller for AC to DC converter that manages plasma in upgraded fusion machine By Raphael Rosen March 7, 2016 Tweet Widget Google Plus One Share on Facebook PPPL scientists Robert Mozulay and Weiguo Que (Photo by Hans Schneider) PPPL scientists Robert Mozulay and Weiguo Que Gallery: One of the digital firing generators installed in NSTX-U (Photo by Hans

  8. Use of Facility Contractor Employees for Services to DOE in the Washington, D.C., Area

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

    1999-04-15

    To clarify and modify policies and procedures for management of Department of Energy (DOE) facility contractor employees located in the Washington, D.C., area. A facility contractor employee is any employee of either a contractor responsible for managing a Department-owned facility, such as a National Laboratory, or a subcontractor of such a contractor. Facility contractor means any contractor performing under a Management and Operating (M&O), Management and Integration (M&I), or Environmental Restoration Management Contractor (ERMC) contract awarded by a DOE contracting officer. Canceled by DOE O 350.2.

  9. DOEINVIl0845-51 DC-703 GROUNDWATER FLOW NEAR THE SHOAL SITE,

    Office of Legacy Management (LM)

    DOEINVIl0845-51 DC-703 GROUNDWATER FLOW NEAR THE SHOAL SITE, SAND SPRINGS RANGE, NEVADA: IMPACT OF DENSITY-DRIVEN FLOW Prepared by Jenny Chapman, Todd Mihevc, and Alan McKay Submitted to Nevada Operations Office U.S. Department of Energy Las Vegas, Nevada September 1994 Publication #45130 This report was prepared as an account of work sponsored by the United States Government Neither the United States nor the United States Department of Energy, nor any of their employees, makes any warranty,

  10. DC superconducting quantum interference device usable in nuclear quadrupole resonance and zero field nuclear magnetic spectrometers

    DOE Patents [OSTI]

    Fan, Non Q.; Clarke, John

    1993-01-01

    A spectrometer for measuring the nuclear quadrupole resonance spectra or the zero-field nuclear magnetic resonance spectra generated by a sample is disclosed. The spectrometer uses an amplifier having a dc SQUID operating in a flux-locked loop for generating an amplified output as a function of the intensity of the signal generated by the sample. The flux-locked loop circuit includes an integrator. The amplifier also includes means for preventing the integrator from being driven into saturation. As a result, the time for the flux-locked loop to recover from the excitation pulses generated by the spectrometer is reduced.

  11. DC superconducting quantum interference device usable in nuclear quadrupole resonance and zero field nuclear magnetic spectrometers

    DOE Patents [OSTI]

    Fan, N.Q.; Clarke, J.

    1993-10-19

    A spectrometer for measuring the nuclear quadrupole resonance spectra or the zero-field nuclear magnetic resonance spectra generated by a sample is disclosed. The spectrometer uses an amplifier having a dc SQUID operating in a flux-locked loop for generating an amplified output as a function of the intensity of the signal generated by the sample. The flux-locked loop circuit includes an integrator. The amplifier also includes means for preventing the integrator from being driven into saturation. As a result, the time for the flux-locked loop to recover from the excitation pulses generated by the spectrometer is reduced. 7 figures.

  12. Demonstration of LED Retrofit Lamps at the Smithsonian American Art Museum, Washington, DC

    SciTech Connect (OSTI)

    Miller, Naomi J.; Rosenfeld, Scott M.

    2012-06-22

    This report documents observations and results obtained from a lighting demonstration project conducted under the U.S. Department of Energy GATEWAY Solid-State Lighting (SSL) Technology Demonstration Program at the Smithsonain American Art Museum in Washington, DC. LED Lamp samples were tested in the museum workshop, temporarily installed in a gallery for feedback, and ultimately replaced all traditional incandescent lamps in one gallery of modernist art at the American Art Museum and partially replacing lamps in two galleries at the Musesum's Renwick Gallery. This report describes the selection and testing process, technology challenges, perceptions, economics, energy use, and mixed results of usign LED replacement lamps in art galleries housing national treasures.

  13. DOE/EIA-0202(86/1Q) Energy Information Administration Washington, DC

    Gasoline and Diesel Fuel Update (EIA)

    6/1Q) Energy Information Administration Washington, DC Energy Outlook Quarterly Projections January 1986 Outlook Short-Term _ uergy Outlook Short-Term Ent,. , Energy Outlook Short-Term Energ^ .m Energy Outlook Short-Term Energy L .erm Energy Outlook Short-Term Energy Ou Term Energy Outlook Short-Term Energy Out, t-Term Energy Outlook Short-Term Energy Outlc rt-Term Energy Outlook Short-Term Energy Outloc 3rt-Term Energy Outlook Short-Term Energy Outlocx .ort-Term Energy Outlook Short-Term Energy

  14. DOE/EIA-0202(86/2Q) Energy Information Administration Washington, DC

    Gasoline and Diesel Fuel Update (EIA)

    2Q) Energy Information Administration Washington, DC Energy Outlook Quarterly Projections April 1986 Outlook Short-Term _ Outlook Short-Term Exit,. . Energy Outlook Short-Term Energ^ .-m Energy Outlook Short-Term Energy L .erm Energy Outlook Short-Term Energy Ou Term Energy Outlook Short-Term Energy OuU t-Term Energy Outlook Short-Term Energy Outlc rt-Term Energy Outlook Short-Term Energy Outloc jrt-Term Energy Outlook Short-Term Energy Outlocx .ort-Term Energy Outlook Short-Term Energy Outlook.

  15. 1000 Independence Avenue, SW, Washington, D.C., Carol G. Crawford, Chair,

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

    FRIDAY, OCTOBER 25, 2002 The meeting was held at 8:30 in Room 8E-089 of the Department of Energy, 1000 Independence Avenue, SW, Washington, D.C., Carol G. Crawford, Chair, presiding. PRESENT: CAROL G. CRAWFORD, Ph.D. Chair F. JAY BREIDT, Ph.D. Vice Chair MARK BERNSTEIN, Ph.D. JOHNNY BLAIR JAE EDMONDS, Ph.D. JAMES K. HAMMITT, Ph.D. NICHOLAS W. HENGARTNER CALVIN A. KENT, Ph.D. WILLIAM G. MOSS, Ph.D. POLLY A. PHIPPS, Ph.D. RANDY R. SITTER, Ph.D. ROY WHITMORE, Ph.D. ALSO PRESENT: CALVIN A. KENT,

  16. Crystallization and preliminary X-ray analysis of AbsC, a novel regulator of antibiotic production in Streptomyces coelicolor

    SciTech Connect (OSTI)

    Stevenson, Clare E. M.; Kock, Holger; Mootien, Saraspadee; Davies, San C.; Bibb, Mervyn J.; Lawson, David M.

    2007-03-01

    A novel regulator of antibiotic production in S. coelicolor, AbsC, has been crystallized in space group P2{sub 1}2{sub 1}2{sub 1}. X-ray data to 2.25 resolution were collected on station PX 14.1 at Daresbury. Crystals of recombinant AbsC (subunit MW = 18 313 Da; 158 amino acids), a novel regulator of antibiotic production from Streptomyces coelicolor, were grown by vapour diffusion. The protein crystallizes in space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 43.53, b = 121.30, c = 143.75 . Native data to a resolution of 2.25 were recorded at station PX 14.1 (Daresbury) from a single crystal. Preliminary analysis of these data suggests that the asymmetric unit contains four copies of the AbsC monomer, giving an estimated solvent content of 47.0%. AbsC belongs to the MarR family of proteins that mediate ligand-responsive transcriptional control.

  17. INFORMATION: Audit Report on The Office of Secure Transportation DC-9 Aircraft Refurbishment

    SciTech Connect (OSTI)

    2009-05-01

    The National Nuclear Security Administration's (NNSA) Office of Secure Transportation (OST) maintains a fleet of seven aircraft to transport sensitive items, equipment and security personnel. Based on increasing requirements for transporting components and security personnel, OST decided to add a heavy transport aircraft to meet the Department's weapons surety and emergency response missions. In 2004, as a replacement following the sale of a portion of its fleet, OST acquired a DC-9 cargo aircraft that had been excessed by the U.S. military. Prior to integrating the DC-9 into its fleet, NNSA ordered a refurbishment of the aircraft. This refurbishment project was to permit the aircraft to be certified to civil air standards so that it could transport passengers for site visits, training and other travel. The NNSA Service Center (Service Center) awarded a contract for the refurbishment of the aircraft in December 2004. In recent years, the Office of Inspector General has addressed a number of issues relating to the Department's aircraft management activities and services. As part of our ongoing review process and because of the national security importance of its fleet of aircraft, we conducted this review to determine whether OST had an effective and efficient aviation management program.

  18. Simulation Study of an Extended Density DC Glow Toroidal Plasma Source

    SciTech Connect (OSTI)

    Granda-Gutierrez, E. E.; Piedad-Beneitez, A. de la; Lopez-Callejas, R.; Godoy-Cabrera, O. G.; Benitez-Read, J. S.; Pacheco-Sotelo, J. O.; Pena-Eguiluz, R.; Mercado-Cabrera, A.; Valencia A, R.; Barocio, S. R.

    2006-12-04

    Conventional wisdom assigns the DC glow discharge regime to plasma currents below {approx}500 mA values, beyond which the discharge falls into the anomalous glow and the turbulent arc regimes. However, we have found evidence that, during toroidal discharges, this barrier can be ostensibly extended up to 800 mA. Thus, a computer simulation has been applied to the evolution of the main electrical characteristics of such a glow discharge plasma in a toroidal vessel in order to design and construct a respective voltage/current controlled source. This should be able to generate a DC plasma in the glow regime with which currents in the range 10-3-100 A can be experimented and 109-1010 cm-3 plasma densities can be achieved to PIII optimization purposes. The plasma is modelled as a voltage-controlled current source able to be turned on whenever the breakdown voltage is reached across the gap between the anode and the vessel wall. The simulation outcome fits well our experimental measurements showing that the plasma current obeys power laws that are dependent on the power current and other control variables such as the gas pressure.

  19. Simulations for preliminary design of a multi-cathode DC electron gun for eRHIC

    SciTech Connect (OSTI)

    Wu, Q.; Ben-Zvi, I.; Chang, X.; Skaritka, J.

    2010-05-23

    The proposed electron ion collider, eRHIC, requires a large average polarized electron current of 50 mA, which is more than 20 times higher than the present experimental output of a single, highly polarized electron source, based on cesiated super-lattice GaAs. To meet eRHIC's requirement for current, we designed a multicathode DC electron gun for injection. The twenty-four GaAs cathodes emit electrons in sequence, then are combined on axis by a rotating field (or 'funnelled'). In addition to its ultra-high vacuum requirements, the multicathode DC electron gun will place high demand on the electric field symmetry, the magnetic field shielding, and on preventing arcing. In this paper, we discuss our results from a 3D simulation of the latest model for this gun. The findings will guide the actual design in future. Their preliminary design of a multi-cathode electron source for eRHIC demonstrated tolerable fields and reasonable results in both field and particle simulations.

  20. Microstructure and hydriding studies of AB/sub 5/ hydrogen storage compounds. Final report

    SciTech Connect (OSTI)

    Goodell, P.D.; Sandrock, G.D.; Huston, E.L.

    1980-01-01

    New data on the microstructure, pressure-composition-temperature, and absorption/desorption kinetics of AB/sub 5/ metal hydrides are presented. The most significant result to emerge from the investigation is that many of the AB/sub 5/ metal hydrides, especially the LaNi/sub 5/ related materials, show instantaneous absorption and desorption response in proportion to the amount of cooling or heating which is provided. Eight categories of materials were studied: reference alloys (LaNi/sub 5/, LaNi/sub 4/ /sub 9/Al/sub 0/ /sub 1/, LaNi/sub 3/Co/sub 2/); Ni second phase particles (LaNi/sub 5/ /sub 67/, LaNi/sub 7/, LaNi/sub 11/ /sub 3/); eutectoid microstructure (SmCo/sub 5/); other second phases (LaNi/sub 3/ /sub 8/Fe/sub 1/ /sub 2/, LaNi/sub 3/ /sub 5/Cr/sub 1/ /sub 5/, LaNi/sub 4/Cr, LaNi/sub 4/Si; LaNi/sub 4/Sn, MNi/sub 4/Sn, MNi/sub 4/ /sub 3/Al/sub 0/ /sub 7/); substitutional elements (LaNi/sub 4/Cu, LaNi/sub 4/ /sub 5/Pd/sub 0/ /sub 5/, LaNi/sub 4/ /sub 7/Sn/sub 0/ /sub 3/, LaNi/sub 4/ /sub 8/C/sub 0/ /sub 2/, MNi/sub 4/ /sub 3/Mn/sub 0/ /sub 7/); surface active elements (LaNi/sub 4/ /sub 8/B/sub 0/ /sub 2/, LaNi/sub 4/ /sub 9/S/sub 0/ /sub 1/, LaNi/sub 4/ /sub 9/Se/sub 0/ /sub 1/); large diameter atom substitutions (Mg/sub 0/ /sub 1/La/sub 0/ /sub 9/Ni/sub 5/, Ca/sub 0/ /sub 2/La/sub 0/ /sub 8/Ni/sub 5/, Sr/sub 0/ /sub 2/La/sub 0/ /sub 8/Ni/sub 5/, Ba/sub 0/ /sub 2/La/sub 0/ /sub 8/Ni/sub 5/); other compositions (LaNi/sub 3/); and Pd plating (electroless plated samples and mechanically alloyed specimens).

  1. A monitoring campaign for Luhman 16AB. I. Detection of resolved near-infrared spectroscopic variability

    SciTech Connect (OSTI)

    Burgasser, Adam J.; Gillon, Michal; Jehin, E.; Delrez, L.; Opitom, C.; Faherty, Jacqueline K.; Radigan, Jacqueline; Triaud, Amaury H. M. J.; Plavchan, Peter

    2014-04-10

    We report resolved near-infrared spectroscopic monitoring of the nearby L dwarf/T dwarf binary WISE J104915.57531906.1AB (Luhman 16AB), as part of a broader campaign to characterize the spectral energy distribution and temporal variability of this system. A continuous 45 minute sequence of low-resolution IRTF/SpeX data spanning 0.8-2.4 ?m were obtained, concurrent with combined-light optical photometry with ESO/TRAPPIST. Our spectral observations confirm the flux reversal of this binary, and we detect a wavelength-dependent decline in the relative spectral fluxes of the two components coincident with a decline in the combined-light optical brightness of the system over the course of the observation. These data are successfully modeled as a combination of achromatic (brightness) and chromatic (color) variability in the T0.5 Luhman 16B, consistent with variations in overall cloud opacity; and no significant variability was found in L7.5 Luhman 16A, consistent with recent resolved photometric monitoring. We estimate a peak-to-peak amplitude of 13.5% at 1.25 ?m over the full light curve. Using a simple two-spot brightness temperature model for Luhman 16B, we infer an average cold covering fraction of ?30%-55%, varying by 15%-30% over a rotation period assuming a ?200-400 K difference between hot and cold regions. We interpret these variations as changes in the covering fraction of a high cloud deck and corresponding 'holes' which expose deeper, hotter cloud layers, although other physical interpretations are possible. A Rhines scale interpretation for the size of the variable features explains an apparent correlation between period and amplitude for Luhman 16B and the variable T dwarfs SIMP 0136+0933 and 2MASS J2139+0220, and predicts relatively fast winds (1-3 km s{sup 1}) for Luhman 16B consistent with light curve evolution on an advective time scale (1-3 rotation periods). The strong variability observed in this flux reversal brown dwarf pair supports the model of a patchy disruption of the mineral cloud layer as a universal feature of the L dwarf/T dwarf transition.

  2. Frequency multiplexed flux locked loop architecture providing an array of DC SQUIDS having both shared and unshared components

    DOE Patents [OSTI]

    Ganther, Jr., Kenneth R.; Snapp, Lowell D.

    2002-01-01

    Architecture for frequency multiplexing multiple flux locked loops in a system comprising an array of DC SQUID sensors. The architecture involves dividing the traditional flux locked loop into multiple unshared components and a single shared component which, in operation, form a complete flux locked loop relative to each DC SQUID sensor. Each unshared flux locked loop component operates on a different flux modulation frequency. The architecture of the present invention allows a reduction from 2N to N+1 in the number of connections between the cryogenic DC SQUID sensors and their associated room temperature flux locked loops. Furthermore, the 1.times.N architecture of the present invention can be paralleled to form an M.times.N array architecture without increasing the required number of flux modulation frequencies.

  3. Construction, Qualification, and Low Rate Production Start‐up of a DC Bus Capacitor High Volume Manufacturing Facility with Capacity to Support 100,000 Electric Drive Vehicles

    Broader source: Energy.gov [DOE]

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

  4. Ab initio calculation of the electronic absorption spectrum of liquid water

    SciTech Connect (OSTI)

    Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa; Departamento de Qumica e Bioqumica, Faculdade de Cincias, Universidade de Lisboa, 1749-016 Lisboa; Instituto de Fsica da Universidade de So Paulo, CP 66318, 05314-970 So Paulo, SP

    2014-04-28

    The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the OH stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

  5. Insights into photodissociation dynamics of acetaldehyde from ab initio calculations and molecular dynamics simulations

    SciTech Connect (OSTI)

    Chen Shilu; Fang Weihai

    2009-08-07

    In the present paper we report a theoretical study on mechanistic photodissociation of acetaldehyde (CH{sub 3}CHO). Stationary structures for H{sub 2} and CO eliminations in the ground state (S{sub 0}) have been optimized with density functional theory method, which is followed by the intrinsic reaction coordinate and ab initio molecular dynamics calculations to confirm the elimination mechanism. Equilibrium geometries, transition states, and intersection structures for the C-C and C-H dissociations in excited states were determined by the complete-active-space self-consistent field (CASSCF) method. Based on the CASSCF optimized structures, the potential energy profiles for the dissociations were refined by performing the single-point calculations using the multireference configuration interaction method. Upon the low-energy irradiation of CH{sub 3}CHO (265 nm<{lambda}<318 nm), the T{sub 1} C-C bond fission following intersystem crossing from the S{sub 1} state is the predominant channel and the minor channel, the ground-state elimination to CH{sub 4}+CO after internal conversion (IC) from S{sub 1} to S{sub 0}, could not be excluded. With the photon energy increasing, another pathway of IC, achieved via an S{sub 1}/S{sub 0} intersection point resulting from the S{sub 1} C-C bond fission, becomes accessible and increases the yield of CH{sub 4}+CO.

  6. Ferromagnetic ordering of Cr and Fe doped p-type diamond: An ab initio study

    SciTech Connect (OSTI)

    Benecha, E. M.; Lombardi, E. B.

    2014-02-21

    Ferromagnetic ordering of transition metal dopants in semiconductors holds the prospect of combining the capabilities of semiconductors and magnetic systems in single hybrid devices for spintronic applications. Various semiconductors have so far been considered for spintronic applications, but low Curie temperatures have hindered room temperature applications. We report ab initio DFT calculations on the stability and magnetic properties of Fe and Cr impurities in diamond, and show that their ground state magnetic ordering and stabilization energies depend strongly on the charge state and type of co-doping. We predict that divacancy Cr{sup +2} and substitutional Fe{sup +1} order ferromagnetically in p-type diamond, with magnetic stabilization energies (and magnetic moment per impurity ion) of 16.9 meV (2.5 μ{sub B}) and 33.3 meV (1.0 μ{sub B}), respectively. These magnetic stabilization energies are much larger than what has been achieved in other semiconductors at comparable impurity concentrations, including the archetypal dilute magnetic semiconductor GaAs:Mn. In addition, substitutional Fe{sup +1} exhibits a strong half-metallic character, with the Fermi level crossing bands in only the spin down channel. These results, combined with diamond’s extreme properties, demonstrate that Cr or Fe dopedp-type diamond may successfully be considered in the search for room temperature spintronic materials.

  7. Ab initio atomistic thermodynamics study on the oxidation mechanism of binary and ternary alloy surfaces

    SciTech Connect (OSTI)

    Liu, Shi-Yu; Liu, Shiyang; Li, De-Jun; Wang, Sanwu; Guo, Jing; Shen, Yaogen

    2015-02-14

    Utilizing a combination of ab initio density-functional theory and thermodynamics formalism, we have established the microscopic mechanisms for oxidation of the binary and ternary alloy surfaces and provided a clear explanation for the experimental results of the oxidation. We construct three-dimensional surface phase diagrams (SPDs) for oxygen adsorption on three different Nb-X(110) (X = Ti, Al or Si) binary alloy surfaces. On the basis of the obtained SPDs, we conclude a general microscopic mechanism for the thermodynamic oxidation, that is, under O-rich conditions, a uniform single-phase SPD (type I) and a nonuniform double-phase SPD (type II) correspond to the sustained complete selective oxidation and the non-sustained partial selective oxidation by adding the X element, respectively. Furthermore, by revealing the framework of thermodynamics for the oxidation mechanism of ternary alloys through the comparison of the surface energies of two separated binary alloys, we provide an understanding for the selective oxidation behavior of the Nb ternary alloy surfaces. Using these general microscopic mechanisms, one could predict the oxidation behavior of any binary and multi-component alloy surfaces based on thermodynamics considerations.

  8. Ab initio many-body calculations of nucleon-4He scattering with three-nucleon forces

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

    Hupin, Guillaume; Langhammer, Joachim; Navratil, Petr; Quaglioni, Sofia; Calci, Angelo; Roth, Robert

    2013-11-27

    We extend the ab initio no-core shell model/resonating-group method to include three-nucleon (3N) interactions for the description of nucleon-nucleus collisions. We outline the formalism, give algebraic expressions for the 3N-force integration kernels, and discuss computational aspects of two alternative implementations. The extended theoretical framework is then applied to nucleon-4He elastic scattering using similarity-renormalization-group (SRG)-evolved nucleon-nucleon plus 3N potentials derived from chiral effective field theory. We analyze the convergence properties of the calculated phase shifts and explore their dependence upon the SRG evolution parameter. We include up to six excited states of the 4He target and find significant effects from themore » inclusion of the chiral 3N force, e.g., it enhances the spin-orbit splitting between the 3/2– and 1/2– resonances and leads to an improved agreement with the phase shifts obtained from an accurate R-matrix analysis of the five-nucleon experimental data. As a result, we find remarkably good agreement with measured differential cross sections at various energies below the d+3H threshold, while analyzing powers manifest larger deviations from experiment for certain energies and angles.« less

  9. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry

    SciTech Connect (OSTI)

    Matthew Neurock

    2002-09-11

    As the US seeks to develop an energy strategy that reduces the reliance on foreign oil, there is a renewed interest in research and development of the Fischer Tropsch synthesis of converting syngas into long chain hydrocarbon products. This report investigates some of the basic elementary steps for Fischer-Tropsch synthesis over ideal Co and Ru metal surfaces by using ab initio density functional theoretical calculations. This includes activation of CO of CO, the hydrogenation of CH{sub x} intermediates, and the adsorption and dissociation of water. The activation of CO is studied in detail showing a strong dependence on the surface coverage, defect sites and Co-Ru alloy formation. The barriers for CO activation over the ideal (0001) surfaces are quite high making CO activation at the terrace sites unlikely under operating conditions. The calculations for the overall reaction energies at the step edges indicate that these sites are much more reactive. The hydrogenation of the CHx intermediates occurs in a sequential fashion. CH1 was found to be the most stable intermediate over various surfaces. The barriers to form both CH* as well as CH{sub 4} are both found to be highly activated and potentially difficult steps. Water which is a reaction product was found to be weakly adsorbed on Co. Analysis of the microscopic reverse reaction of water activation indicates that this process has a very low activation barrier. Consequently, any water which forms desorbs or is activated to form surface hydroxyl intermediates.

  10. Ab Initio Enhanced calphad Modeling of Actinide-Rich Nuclear Fuels

    SciTech Connect (OSTI)

    Morgan, Dane; Yang, Yong Austin

    2013-10-28

    The process of fuel recycling is central to the Advanced Fuel Cycle Initiative (AFCI), where plutonium and the minor actinides (MA) Am, Np, and Cm are extracted from spent fuel and fabricated into new fuel for a fast reactor. Metallic alloys of U-Pu-Zr-MA are leading candidates for fast reactor fuels and are the current basis for fast spectrum metal fuels in a fully recycled closed fuel cycle. Safe and optimal use of these fuels will require knowledge of their multicomponent phase stability and thermodynamics (Gibbs free energies). In additional to their use as nuclear fuels, U-Pu-Zr-MA contain elements and alloy phases that pose fundamental questions about electronic structure and energetics at the forefront of modern many-body electron theory. This project will validate state-of-the-art electronic structure approaches for these alloys and use the resulting energetics to model U-Pu-Zr-MA phase stability. In order to keep the work scope practical, researchers will focus on only U-Pu-Zr-{Np,Am}, leaving Cm for later study. The overall objectives of this project are to: Provide a thermodynamic model for U-Pu-Zr-MA for improving and controlling reactor fuels; and, Develop and validate an ab initio approach for predicting actinide alloy energetics for thermodynamic modeling.

  11. Infrared signature of micro-hydration in the organophosphate sarin: An ab initio study

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

    Alam, Todd M.; Pearce, Charles Joseph

    2015-06-28

    The infrared (IR) spectra of micro-hydrated Sarin•(H2O)n clusters containing between one and four explicit waters have been studied using ab initio density functional theory (DFT) methods. The phosphate group P=O bond vibration region (~1270 to 1290 cm–1) revealed the largest frequency variation with hydration, with a frequency red shift reflecting the direct hydrogen bond formation between the P=O of Sarin and water. Small variations to the P-F stretch (~810 to 815 cm–1) and the C-O-P vibrational modes (~995 to 1004 cm–1) showed that the water interactions with these functional groups were minor, and that the structures of Sarin were notmore » extensively perturbed in the hydrated complexes. Increasing the number of explicit hydration waters produced only small vibrational changes in the lowest free energy complexes. These minor changes were consistent with a single water-phosphate hydrogen bond being the dominant structure, though a second water-phosphate hydrogen bond was observed in some complexes and was identified by an additional red shift of the P=O bond vibration. As a result, the H2O•H2O vibrational modes (~3450 to 3660 cm–1) increased in complexity with higher hydration levels and reflect the extended hydrogen bonding networks formed between the explicit waters in the hydrated Sarin clusters.« less

  12. Ab-initio study of donor-acceptor codoping for n-type CuO

    SciTech Connect (OSTI)

    Peng, Yuan; Wang, Junling, E-mail: jlwang@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Zheng, Jianwei [Institute of High Performance Computing, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632 (Singapore); Wu, Ping [Engineering Product Development, Singapore University of Technology and Design, 20 Dover Drive, Singapore 138682 (Singapore)

    2014-10-28

    Single n-type dopant in CuO has either a deep donor level or limited solubility, inefficient in generating free electrons. We have performed ab-initio study of the donor-acceptor codoping to obtain n-type CuO. Our results show that N codoping can slightly improve the donor level of Zr and In by forming shallower n-type complexes (Zr{sub Cu}-N{sub O} and 2In{sub Cu}-N{sub O}), but their formation energies are too high to be realized in experiments. However, Li codoping with Al and Ga is found to be relatively easy to achieve. 2Al{sub Cu}-Li{sub Cu} and 2Ga{sub Cu}-Li{sub Cu} have shallower donor levels than single Al and Ga by 0.14?eV and 0.08?eV, respectively, and their formation energies are reasonably low to act as efficient codopants. Moreover, Li codoping with both Al and Ga produce an empty impurity band just below the host conduction band minimum, which may reduce the donor ionization energy at high codoping concentrations.

  13. Microstructure from joint analysis of experimental data and ab initio interactions: Hydrogenated amorphous silicon

    SciTech Connect (OSTI)

    Biswas, Parthapratim; Drabold, D. A.; Atta-Fynn, Raymond

    2014-12-28

    A study of the formation of voids and molecular hydrogen in hydrogenated amorphous silicon is presented based upon a hybrid approach that involves inversion of experimental nuclear magnetic resonance data in conjunction with ab initio total-energy relaxations in an augmented solution space. The novelty of this approach is that the voids and molecular hydrogen appear naturally in the model networks unlike conventional approaches, where voids are created artificially by removing silicon atoms from the networks. Two representative models with 16 and 18 at.?% of hydrogen are studied in this work. The result shows that the microstructure of the a-Si:H network consists of several microvoids and few molecular hydrogen for concentration above 15 at.?% H. The microvoids are highly irregular in shape and size, and have a linear dimension of 57?. The internal surface of a microvoid is found to be decorated with 49 hydrogen atoms in the form of monohydride SiH configurations as observed in nuclear magnetic resonance experiments. The microstructure consists of (0.91.4)% hydrogen molecules of total hydrogen in the networks. These observations are consistent with the outcome of infrared spectroscopy, nuclear magnetic resonance, and calorimetry experiments.

  14. Characterizing the AB Doradus moving group via high-resolution spectroscopy and kinematic traceback

    SciTech Connect (OSTI)

    McCarthy, Kyle; Wilhelm, Ronald J.

    2014-10-01

    We present a detailed analysis of 10 proposed F and G members of the nearby, young moving group AB Doradus (ABD). Our sample was obtained using the 2.7 m telescope at the McDonald Observatory with the coude echelle spectrograph, achieving R ? 60,000 and signal-to-noise ratio ?200. We derive spectroscopic T {sub eff}, log(g), [Fe/H], and microturbulance (v{sub t} ) using a bootstrap method of the TGVIT software resulting in typical errors of 33K in T {sub eff}, 0.08 dex in log(g), 0.03 dex in [Fe/H], and 0.13 km s{sup 1} in v{sub t} . Characterization of the ABD sample is performed in three ways: (1) chemical homogeneity, (2) kinematic traceback, and (3) isochrone fitting. We find the average metal abundance is [M/H] = 0.03 0.06 with a traceback age of 125 Myr. Our stars were fit to three different evolutionary models and we found that the best match to our ABD sample is the YREC [M/H] = 0.1 model. In our sample of 10 stars, we identify 1 star that is a probable non-member, 3 enigmatic stars, and 6 stars with confirmed membership. We also present a list of chemically coherent stars from this study and the Barenfeld et al. study.

  15. Influence of a transverse magnetic field on arc root movements in a dc plasma torch: Diamagnetic effect of arc column

    SciTech Connect (OSTI)

    Kim, Keun Su

    2009-03-23

    The effect of a transverse magnetic field on the anodic arc root movement inside a dc plasma torch has been investigated. The arc voltage fluctuation, which represents the degree of the arc instability, was reduced to 28.6% of the original value and the high frequency components in the voltage signal also decreased in their magnitudes. The inherent arc instability in a dc thermal plasma torch seems to be suppressed by a diamagnetic effect of the arc column. Furthermore, the measured voltage wave forms indicated that the arc root attachment mode would be controllable by a transverse magnetic field.

  16. Dynamics of CN+alkane reactions by crossed-beam dc slice imaging

    SciTech Connect (OSTI)

    Huang Cunshun; Li Wen; Estillore, Armando D.; Suits, Arthur G.

    2008-08-21

    The hydrogen atom abstraction reactions of CN (X {sup 2}{sigma}{sup +}) with alkanes have been studied using the crossed molecular beam technique with dc slice ion imaging at collision energies of 7.5 and 10.8 kcal/mol. The product alkyl radical images were obtained via single photon ionization at 157 nm for the reactions of CN (X {sup 2}{sigma}{sup +}) with n-butane, n-pentane, n-hexane, and cyclohexane. From analysis of the images, we obtained the center-of-mass frame product angular distributions and translational energy distributions directly. The results indicate that the products are largely backscattered and that most of the available energy ({approx}80%-85%) goes to the internal energy of the products. The reaction dynamics is discussed in light of recent kinetics data, theoretical calculations, and results for related halogen and oxygen atom reactions.

  17. Term Assignments of Contractors to the Washington D.C. Area.

    Broader source: Energy.gov [DOE]

    On July 2, 2013 the DOE Office of the Inspector General issued Audit Report Number 0890 entitled, "Follow-up Audit on Term Assignments of Contractor Employees." The audit was conducted as a follow-up of the FY 2005 audit of "Management of Facility Contractors Assigned to the Washington D.C. area DOE/IG 0710." The earlier report found instances where assignment justifications were insufficient, costs appeared excessive and allowances inconsistent. The follow-up audit recognized improved management of assignments but noted assignment justifications and cost management could be improved. The report recommended DOE determine prior year actual costs to assist in calculating the estimated costs for the upcoming year of multi-year assignments and ensure assignment records in the Departmental Management and Tracking System (DMATS) are accurate.

  18. Studies on optoelectronic properties of DC reactive magnetron sputtered chromium doped CdO thin films

    SciTech Connect (OSTI)

    Hymavathi, B. Rao, T. Subba; Kumar, B. Rajesh

    2014-10-15

    Cr doped CdO thin films were deposited on glass substrates by DC reactive magnetron sputtering method and subsequently annealed from 200 °C to 500 °C. X-ray diffraction analysis showed that the films exhibit (1 1 1) preferred orientation. The optical transmittance of the films increases from 64% to 88% with increasing annealing temperature. The optical band gap values were found to be decreased from 2.77 to 2.65 eV with the increase of annealing temperature. The decrease in optical band gap energy with increasing annealing temperature can be attributed to improvement in the crystallinity of the films and may also be due to quantum confinement effect. A minimum resistivity of 2.23 × 10{sup −4} Ω.cm and sheet resistance of 6.3 Ω/sq is obtained for Cr doped CdO film annealed at 500 °C.

  19. Control method for peak power delivery with limited DC-bus voltage

    DOE Patents [OSTI]

    Edwards, John; Xu, Longya; Bhargava, Brij B.

    2006-09-05

    A method for driving a neutral point-clamped multi-level voltage source inverter supplying a synchronous motor is provided. A DC current is received at a neutral point-clamped multi-level voltage source inverter. The inverter has first, second, and third output nodes. The inverter also has a plurality of switches. A desired speed of a synchronous motor connected to the inverter by the first second and third nodes is received by the inverter. The synchronous motor has a rotor and the speed of the motor is defined by the rotational rate of the rotor. A position of the rotor is sensed, current flowing to the motor out of at least two of the first, second, and third output nodes is sensed, and predetermined switches are automatically activated by the inverter responsive to the sensed rotor position, the sensed current, and the desired speed.

  20. Impute DC link (IDCL) cell based power converters and control thereof

    DOE Patents [OSTI]

    Divan, Deepakraj M.; Prasai, Anish; Hernendez, Jorge; Moghe, Rohit; Iyer, Amrit; Kandula, Rajendra Prasad

    2016-04-26

    Power flow controllers based on Imputed DC Link (IDCL) cells are provided. The IDCL cell is a self-contained power electronic building block (PEBB). The IDCL cell may be stacked in series and parallel to achieve power flow control at higher voltage and current levels. Each IDCL cell may comprise a gate drive, a voltage sharing module, and a thermal management component in order to facilitate easy integration of the cell into a variety of applications. By providing direct AC conversion, the IDCL cell based AC/AC converters reduce device count, eliminate the use of electrolytic capacitors that have life and reliability issues, and improve system efficiency compared with similarly rated back-to-back inverter system.

  1. Crossed-beam DC slice imaging of fluorine atom reactions with linear alkanes

    SciTech Connect (OSTI)

    Shi, Yuanyuan; Kamasah, Alexander; Joalland, Baptiste; Suits, Arthur G.

    2015-05-14

    We report the reaction dynamics of F atom with selected alkanes studied by crossed beam scattering with DC slice ion imaging. The target alkanes are propane, n-butane, and n-pentane. The product alkyl radicals are probed by 157 nm single photon ionization following reaction at a collision energy of ∼10 kcal mol{sup −1}. The analyzed data are compared with the corresponding theoretical studies. Reduced translational energy distributions for each system show similar trends with little of the reaction exoergicity appearing in translation. However, the pentane reaction shows a somewhat smaller fraction of available energy in translation than the other two, suggesting greater energy channeled into pentyl internal degrees of freedom. The center-of-mass angular distributions all show backscattering as well as sharp forward scattering that decreases in relative intensity with the size of the molecule. Possible reasons for these trends are discussed.

  2. Current-voltage characteristics of dc corona discharges in air between coaxial cylinders

    SciTech Connect (OSTI)

    Zheng, Yuesheng; Zhang, Bo He, Jinliang

    2015-02-15

    This paper presents the experimental measurement and numerical analysis of the current-voltage characteristics of dc corona discharges in air between coaxial cylinders. The current-voltage characteristics for both positive and negative corona discharges were measured within a specially designed corona cage. Then the measured results were fitted by different empirical formulae and analyzed by the fluid model. The current-voltage characteristics between coaxial cylinders can be expressed as I = C(U − U{sub 0}){sup m}, where m is within the range 1.5–2.0, which is similar to the point-plane electrode system. The ionization region has no significant effect on the current-voltage characteristic under a low corona current, while it will affect the distribution for the negative corona under a high corona current. The surface onset fields and ion mobilities were emphatically discussed.

  3. Administered activity and metastatic cure probability during radioimmunotherapy of ovarian cancer in nude mice with {sup 211}At-MX35 F(ab'){sub 2}

    SciTech Connect (OSTI)

    Elgqvist, Joergen . E-mail: jorgen.elgqvist@radfys.gu.se; Andersson, Hakan; Bernhardt, Peter; Baeck, Tom; Claesson, Ingela; Hultborn, Ragnar; Jensen, Holger; Johansson, Bengt R.; Lindegren, Sture; Olsson, Marita; Palm, Stig; Warnhammar, Elisabet; Jacobsson, Lars

    2006-11-15

    Purpose: To elucidate the therapeutic efficacy of {alpha}-radioimmunotherapy of ovarian cancer in mice. This study: (i) estimated the minimum required activity (MRA), giving a reasonable high therapeutic efficacy; and (ii) calculated the specific energy to tumor cell nuclei and the metastatic cure probability (MCP) using various assumptions regarding monoclonal-antibody (mAb) distribution in measured tumors. The study was performed using the {alpha}-particle emitter Astatine-211 ({sup 211}At) labeled to the mAb MX35 F(ab'){sub 2}. Methods and Materials: Animals were inoculated intraperitoneally with {approx}1 x 10{sup 7} cells of the cell line NIH:OVCAR-3. Four weeks later animals were treated with 25, 50, 100, or 200 kBq {sup 211}At-MX35 F(ab'){sub 2} (n = 74). Another group of animals was treated with a nonspecific mAb: 100 kBq {sup 211}At-Rituximab F(ab'){sub 2} (n = 18). Eight weeks after treatment the animals were sacrificed and presence of macro- and microscopic tumors and ascites was determined. An MCP model was developed and compared with the experimentally determined tumor-free fraction (TFF). Results: When treatment was given 4 weeks after cell inoculation, the TFFs were 25%, 22%, 50%, and 61% after treatment with 25, 50, 100, or 200 kBq {sup 211}At-MX35 F(ab'){sub 2}, respectively, the specific energy to irradiated cell nuclei varying between {approx}2 and {approx}400 Gy. Conclusion: As a significant increase in the therapeutic efficacy was observed between the activity levels of 50 and 100 kBq (TFF increase from 22% to 50%), the conclusion was that the MRA is {approx}100 kBq {sup 211}At-MX35 F(ab'){sub 2}. MCP was most consistent with the TFF when assuming a diffusion depth of 30 {mu}m of the mAbs in the tumors.

  4. Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment

    SciTech Connect (OSTI)

    Liu, Hanchao; Wang, Yimin; Bowman, Joel M.

    2015-05-21

    The calculation and characterization of the IR spectrum of liquid water have remained a challenge for theory. In this paper, we address this challenge using a combination of ab initio approaches, namely, a quantum treatment of IR spectrum using the ab initio WHBB water potential energy surface and a refined ab initio dipole moment surface. The quantum treatment is based on the embedded local monomer method, in which the three intramolecular modes of each embedded H{sub 2}O monomer are fully coupled and also coupled singly to each of six intermolecular modes. The new dipole moment surface consists of a previous spectroscopically accurate 1-body dipole moment surface and a newly fitted ab initio intrinsic 2-body dipole moment. A detailed analysis of the new dipole moment surface in terms of the coordinate dependence of the effective atomic charges is done along with tests of it for the water dimer and prism hexamer double-harmonic spectra against direct ab initio calculations. The liquid configurations are taken from previous molecular dynamics calculations of Skinner and co-workers, using the TIP4P plus E3B rigid monomer water potential. The IR spectrum of water at 300 K in the range of 0–4000 cm{sup −1} is calculated and compared with experiment, using the ab initio WHBB potential and new ab initio dipole moment, the q-TIP4P/F potential, which has a fixed-charged description of the dipole moment, and the TTM3-F potential and dipole moment surfaces. The newly calculated ab initio spectrum is in very good agreement with experiment throughout the above spectral range, both in band positions and intensities. This contrasts to results with the other potentials and dipole moments, especially the fixed-charge q-TIP4P/F model, which gives unrealistic intensities. The calculated ab initio spectrum is analyzed by examining the contribution of various transitions to each band.

  5. Analysis of Fe Nanoparticles Using XPS Measurements Under D.C. or Pulsed-Voltage Bias

    SciTech Connect (OSTI)

    Suzer, Sefik; Baer, Donald R.; Engelhard, Mark H.

    2010-06-16

    The impact of solution exposure on the charging properties of oxide coatings on Fe metal-core oxide-shells has been examined by sample biasing during XPS measurements. The Fe nanoparticles were suspended in relatively unreactive acetone and were analyzed after particle containing solutions were deposited on SiO2/Si substrates, and/or Au substrates. The particle and substrate combinations were subjected to 10V d.c. biasing in the form of square waves (SQW) pulses with 5V amplitude. The samples experienced variable degrees of charging for which low energy electrons at ~1 eV, 20?A and low energy Ar+ ions were used to minimize. Application of d.c. bias and/or square wave pulses drastically influences the extent of charging, which is utilized to gather additional analytical information about the sample under investigation. This approach allows separation of otherwise overlapping peaks. Accordingly, the O1s peaks of the silicon oxide substrate, the iron oxide nanoparticles, and that of the casting solvent can be separated from each other. Similarly the C1s peak belonging to the solvent can be separated from that of the adventitious carbon. The charging shifts of the iron nanoparticles are strongly influenced by the surrounding solvent. Hence, acetone exhibits the largest shift, water the smallest, and methanol in between. Dynamical measurements performed by application of the voltage stress in the form of SQW pulses gives information about the time constants of the processes involved, which led us postulate that these charging properties we probe in these systems, stem mainly from ionic movement(s).

  6. Spectroscopic signatures of AA' and AB stacking of chemical vapor deposited bilayer MoS2

    SciTech Connect (OSTI)

    Xia, Ming; Li, Bo; Yin, Kuibo; Capellini, Giovanni; Niu, Gang; Gong, Yongji; Zhou, Wu; Ajayan, Pulickel M.; Xie, Ya -Hong

    2015-11-04

    We discuss prominent resonance Raman and photoluminescence spectroscopic differences between AA'and AB stacked bilayer molybdenum disulfide (MoS2) grown by chemical vapor deposition are reported. Bilayer MoS2 islands consisting of the two stacking orders were obtained under identical growth conditions. Also, resonance Raman and photoluminescence spectra of AA' and AB stacked bilayer MoS2 were obtained on Au nanopyramid surfaces under strong plasmon resonance. Both resonance Raman and photoluminescence spectra show distinct features indicating clear differences in interlayer interaction between these two phases. The implication of these findings on device applications based on spin and valley degrees of freedom.

  7. Electronic and thermoelectric properties of InN studied using ab initio density functional theory and Boltzmann transport calculations

    SciTech Connect (OSTI)

    Borges, P. D. E-mail: lscolfaro@txstate.edu; Scolfaro, L. E-mail: lscolfaro@txstate.edu

    2014-12-14

    The thermoelectric properties of indium nitride in the most stable wurtzite phase (w-InN) as a function of electron and hole concentrations and temperature were studied by solving the semiclassical Boltzmann transport equations in conjunction with ab initio electronic structure calculations, within Density Functional Theory. Based on maximally localized Wannier function basis set and the ab initio band energies, results for the Seebeck coefficient are presented and compared with available experimental data for n-type as well as p-type systems. Also, theoretical results for electric conductivity and power factor are presented. Most cases showed good agreement between the calculated properties and experimental data for w-InN unintentionally and p-type doped with magnesium. Our predictions for temperature and concentration dependences of electrical conductivity and power factor revealed a promising use of InN for intermediate and high temperature thermoelectric applications. The rigid band approach and constant scattering time approximation were utilized in the calculations.

  8. Weak interactions in Graphane/BN systems under static electric fields—A periodic ab-initio study

    SciTech Connect (OSTI)

    Steinkasserer, Lukas Eugen Marsoner; Gaston, Nicola; Paulus, Beate

    2015-04-21

    Ab-initio calculations via periodic Hartree-Fock (HF) and local second-order Møller-Plesset perturbation theory (LMP2) are used to investigate the adsorption properties of combined Graphane/boron nitride systems and their response to static electric fields. It is shown how the latter can be used to alter both structural as well as electronic properties of these systems.

  9. DOE’s Second National Cleanup Workshop Set for Sept. 14-15 in the Washington, D.C. Area

    Broader source: Energy.gov [DOE]

    WASHINGTON, D.C. – DOE, in cooperation with the Energy Communities Alliance and Energy Facility Contractors Group, is set to hold the second DOE National Cleanup Workshop on Sept. 14-15, 2016, at the Hilton Alexandria Mark Center in Alexandria, Va.

  10. Comparison of AB2588 multipathway risk factors for California fossil-fuel power stations

    SciTech Connect (OSTI)

    Gratt, L.B.; Levin, L.

    1997-12-31

    Substances released from power plants may travel through various exposure pathways resulting in human health and environmental risks. The stack air emission`s primary pathway is inhalation from the ambient air. Multipathway factors (adjustment factors to the inhalation risk) are used to evaluate the importance of non-inhalation pathways (such as ingestion and dermal contact). The multipathway factor for a specific substance is the health risk by all pathways divided by the inhalation health risk for that substance. These factors are compared for fossil fuel power stations that submitted regulatory risk assessments in compliance with California Toxic Hot Spots Act (AB2588). Substances representing the largest contributions to the cancer risk are of primary concern: arsenic, beryllium, cadmium, chromium (+6), formaldehyde, nickel, lead, selenium, and PAHs. Comparisons of the chemical-specific multipathway factors show the impacts of regulatory policy decisions on the estimated health risk for trace substances. As an example, point estimates of the soil mixing depth, varying from 1 cm to 15 cm, relate to the relative importance of the pathway. For the deeper mixing depths, the root-zone uptake by homegrown tomato plants (for assumed consumption rate of 15% for San Diego) may result in high multipathway factors for several trace metals. For shallower mixing depths, soil ingestion may become the dominant non-inhalation pathway. These differences may lead to significantly different risk estimates for similar facilities located at different California locations such as to be under local regulatory authorities. The overall multipathway factor for the total cancer risk is about 2, much smaller than some of the chemical-specific factors. Science-based multipathway analysis should reduce much of the concern that may be due to policy-based decisions on pathway selection and high-value point-estimates of the parameters.

  11. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry

    SciTech Connect (OSTI)

    Matthew Neurock; Siddharth Chopra

    2003-09-11

    As the US seeks to develop an energy strategy that reduces the reliance on foreign oil, there is a renewed interest in the research and development of the Fischer Tropsch synthesis for converting syngas into long chain hydrocarbon products. This report investigates some of the basic elementary steps for Fischer-Tropsch synthesis over ideal Pt, Ru and carbon-covered Pt and Ru metal surfaces by using ab initio density functional theoretical calculations. We examine in detail the adsorption sites as well as the binding energies for C, CH, CH{sub 2}, CH3 and CH4 on Pt(111), Ru(0001), 2x2-C-Pt(111) and 2x2-C-Ru(0001). The results indicate that the binding energies increase with decreasing the hydrogen in the fragment molecule, i.e. CH{sub 4} < CH{sub 3} < CH{sub 2} < CH < C. More specifically the work analyzes the elementary steps involved in the activation of methane. This is simply the reverse set of steps necessary for the hydrogenation of C to CH{sub 4}. The results indicate that these hydrocarbon intermediates bind more strongly to Ru than Pt. The introduction of co-adsorbed carbon atoms onto both Ru(0001) as well as Pt(111) significantly increased the overall energies as well as the activation barriers for C-H bond activation. The results suggest that Ru may be so active that it initially can initially activate CH4 into CH or C but ultimately it dies because the CH and C intermediates poison the surface and thus kill its activity. Methane can dissociate on Pt but subsequent hydrocarbon coupling reactions act to remove the surface carbon.

  12. Infrared signature of micro-hydration in the organophosphate sarin: An ab initio study

    SciTech Connect (OSTI)

    Alam, Todd M.; Pearce, Charles Joseph

    2015-06-28

    The infrared (IR) spectra of micro-hydrated Sarin•(H2O)n clusters containing between one and four explicit waters have been studied using ab initio density functional theory (DFT) methods. The phosphate group P=O bond vibration region (~1270 to 1290 cm–1) revealed the largest frequency variation with hydration, with a frequency red shift reflecting the direct hydrogen bond formation between the P=O of Sarin and water. Small variations to the P-F stretch (~810 to 815 cm–1) and the C-O-P vibrational modes (~995 to 1004 cm–1) showed that the water interactions with these functional groups were minor, and that the structures of Sarin were not extensively perturbed in the hydrated complexes. Increasing the number of explicit hydration waters produced only small vibrational changes in the lowest free energy complexes. These minor changes were consistent with a single water-phosphate hydrogen bond being the dominant structure, though a second water-phosphate hydrogen bond was observed in some complexes and was identified by an additional red shift of the P=O bond vibration. As a result, the H2O•H2O vibrational modes (~3450 to 3660 cm–1) increased in complexity with higher hydration levels and reflect the extended hydrogen bonding networks formed between the explicit waters in the hydrated Sarin clusters.

  13. Data:6f7cda2e-3572-486a-b3aa-4129977e9ead | Open Energy Information

    Open Energy Info (EERE)

    cda2e-3572-486a-b3aa-4129977e9ead No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1....

  14. Data:32b0abb8-a929-4537-b5ed-ab1155e4aa0b | Open Energy Information

    Open Energy Info (EERE)

    -b5ed-ab1155e4aa0b No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic...

  15. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry

    SciTech Connect (OSTI)

    Matthew Neurock

    2006-09-11

    One of the greatest societal challenges over the next decade is the production of cheap, renewable energy for the 10 billion people that inhabit the earth. This will require the development of various energy sources which will likely include fuels derived from methane, coal, and biomass and alternatives sources such as solar, wind and nuclear energy. One approach will be to synthesize gasoline and other fuels from simpler hydrocarbons such as CO derived from methane or other U.S. based sources such as coal. Syngas (CO and H{sub 2}) can be readily converted into higher molecular weight hydrocarbons through Fischer-Tropsch synthesis. Fischer-Tropsch (FT) synthesis involves the adsorption and the activation of CO and H{sub 2}, the subsequent propagation steps including hydrogenation and carbon-carbon coupling, followed by chain termination reactions. The current commercial catalysts are supported Co and Co-alloys particles. This project set out with the following objectives in mind: (1) understand the reaction mechanisms that control FT kinetics, (2) predict how the intrinsic metal-adsorbate bond affects the sequence of elementary steps in FT, (3) establish the effects of the reaction environment on catalytic activity and selectivity, (4) construct a first-principles based algorithm that can incorporate the detailed atomic surface structure and simulate the kinetics for the myriad of elementary pathways that make up FT chemistry, and (5) suggest a set of optimal features such as alloy composition and spatial configuration, oxide support, distribution of defect sites. As part of this effort we devoted a significant portion of time to develop an ab initio based kinetic Monte Carlo simulation which can be used to follow FT surface chemistry over different transition metal and alloy surfaces defined by the user. Over the life of this program, we have used theory and have developed and applied stochastic Monte Carlo simulations in order to establish the fundamental catalytic processes that control FT synthesis, thus enabling us to accomplish the first 4 of these objectives. In addition, we were able to begin to suggest the design features of these materials, the final task of the proposed effort. The following report details the specific findings and proposes recommendations. The support from DOE NETL was used to fund a portion of a postdoctoral and a graduate student's salaries. The postdoctoral fellow (Dr. Qingfeng Ge) who was working on this project was hired as an Assistant Professor in chemistry at the Southern Illinois University.

  16. Ab Initio Kinetics and Thermal Decomposition Mechanism of Mononitrobiuret and 1,5- Dinitrobiuret

    SciTech Connect (OSTI)

    Sun, Hongyan; Vaghjiani, Ghanshyam G.

    2015-05-26

    Mononitrobiuret (MNB) and 1,5-dinitrobiuret (DNB) are tetrazole-free, nitrogen-rich, energetic compounds. For the first time, a comprehensive ab initio kinetics study on the thermal decomposition mechanisms of MNB and DNB is reported here. In particular, the intramolecular interactions of amine H-atom with electronegative nitro O-atom and carbonyl O-atom have been analyzed for biuret, MNB, and DNB at the M06-2X/aug-cc-pVTZ level of theory. The results show that the MNB and DNB molecules are stabilized through six-member-ring moieties via intramolecular H-bonding with interatomic distances between 1.8 and 2.0 , due to electrostatic as well as polarization and dispersion interactions. Furthermore, it was found that the stable molecules in the solid state have the smallest dipole moment amongst all the conformers in the nitrobiuret series of compounds, thus revealing a simple way for evaluating reactivity of fuel conformers. The potential energy surface for thermal decomposition of MNB was characterized by spin restricted coupled cluster theory at the RCCSD(T)/cc-pV? Z//M06-2X/aug-cc-pVTZ level. It was found that the thermal decomposition of MNB is initiated by the elimination of HNCO and HNN(O)OH intermediates. Intramolecular transfer of a H-atom, respectively, from the terminal NH2 group to the adjacent carbonyl O-atom via a six-member-ring transition state eliminates HNCO with an energy barrier of 35 kcal/mol and from the central NH group to the adjacent nitro O-atom eliminates HNN(O)OH with an energy barrier of 34 kcal/mol. Elimination of HNN(O)OH is also the primary process involved in the thermal decomposition of DNB, which processes C2v symmetry. The rate coefficients for the primary decomposition channels for MNB and DNB were quantified as functions of temperature and pressure. In addition, the thermal decomposition of HNN(O)OH was analyzed via RiceRamspergerKasselMarcus/multi-well master equation simulations, the results of which reveal the formation of (NO2 + H2O) to be the major decomposition path. Furthermore, we provide fundamental interpretations for the experimental results of Klaptke et al. [Combust. Flame 139, 358366 (2004)] regarding the thermal stability of MNB and DNB, and their decomposition products. Notably, a fundamental understanding of fuel stability, decomposition mechanism, and key reactions leading to ignition is essential in the design and manipulation of molecular systems for the development of new energetic materials for advanced propulsion applications.

  17. Ab initio kinetics and thermal decomposition mechanism of mononitrobiuret and 1,5-dinitrobiuret

    SciTech Connect (OSTI)

    Sun, Hongyan E-mail: ghanshyam.vaghjiani@us.af.mil; Vaghjiani, Ghanshyam L. E-mail: ghanshyam.vaghjiani@us.af.mil

    2015-05-28

    Mononitrobiuret (MNB) and 1,5-dinitrobiuret (DNB) are tetrazole-free, nitrogen-rich, energetic compounds. For the first time, a comprehensive ab initio kinetics study on the thermal decomposition mechanisms of MNB and DNB is reported here. In particular, the intramolecular interactions of amine H-atom with electronegative nitro O-atom and carbonyl O-atom have been analyzed for biuret, MNB, and DNB at the M06-2X/aug-cc-pVTZ level of theory. The results show that the MNB and DNB molecules are stabilized through six-member-ring moieties via intramolecular H-bonding with interatomic distances between 1.8 and 2.0 , due to electrostatic as well as polarization and dispersion interactions. Furthermore, it was found that the stable molecules in the solid state have the smallest dipole moment amongst all the conformers in the nitrobiuret series of compounds, thus revealing a simple way for evaluating reactivity of fuel conformers. The potential energy surface for thermal decomposition of MNB was characterized by spin restricted coupled cluster theory at the RCCSD(T)/cc-pV? Z//M06-2X/aug-cc-pVTZ level. It was found that the thermal decomposition of MNB is initiated by the elimination of HNCO and HNN(O)OH intermediates. Intramolecular transfer of a H-atom, respectively, from the terminal NH{sub 2} group to the adjacent carbonyl O-atom via a six-member-ring transition state eliminates HNCO with an energy barrier of 35 kcal/mol and from the central NH group to the adjacent nitro O-atom eliminates HNN(O)OH with an energy barrier of 34 kcal/mol. Elimination of HNN(O)OH is also the primary process involved in the thermal decomposition of DNB, which processes C{sub 2v} symmetry. The rate coefficients for the primary decomposition channels for MNB and DNB were quantified as functions of temperature and pressure. In addition, the thermal decomposition of HNN(O)OH was analyzed via RiceRamspergerKasselMarcus/multi-well master equation simulations, the results of which reveal the formation of (NO{sub 2} + H{sub 2}O) to be the major decomposition path. Furthermore, we provide fundamental interpretations for the experimental results of Klaptke et al. [Combust. Flame 139, 358366 (2004)] regarding the thermal stability of MNB and DNB, and their decomposition products. Notably, a fundamental understanding of fuel stability, decomposition mechanism, and key reactions leading to ignition is essential in the design and manipulation of molecular systems for the development of new energetic materials for advanced propulsion applications.

  18. Certification review of the DC-1 packaging for transport of HEU oxide

    SciTech Connect (OSTI)

    Primeau, S.J.; Thomas, G.R.

    1995-11-01

    The DC-1, a packaging for the transport of up to 19.7 kg of high-enriched uranium oxide, has been submitted for Department of Energy (DOE) Headquarters certification. The technical review for regulatory compliance is discussed from the reviewer`s standpoint, with emphasis on three notable aspects of the packaging design: (1) The packaging is the first submitted for DOE certification under the provisions of 10 CFR 71.55(c). (2) The containment vessels were fabricated in accordance with Section 8 of the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code; however, additional inspection requirements were imposed at the time of fabrication. Compliance with the requirements of Section 3 of the ASME Code is discussed. (3) A temporary adapter plate is installed between the lid and body of each containment vessel to facilitate periodic leak testing of the containment boundaries. This procedure is compared against the recommendations in the American National Standards Institute (ANSI) N14.5 Standard.

  19. Characterization of the CEBAF 100 kV DC GaAs Photoelectron Gun Vacuum System

    SciTech Connect (OSTI)

    M.L. Stutzman; P. Adderley; J. Brittian; J. Clark; J. Grames; J. Hansknecht; G.R. Myneni; M. Poelker

    2007-05-01

    A vacuum system with pressure in the low ultra-high vacuum (UHV) range is essential for long photocathode lifetimes in DC high voltage GaAs photoguns. A discrepancy between predicted and measured base pressure in the CEBAF photoguns motivated this study of outgassing rates of three 304 stainless steel chambers with different pretreatments and pump speed measurements of non-evaporable getter (NEG) pumps. Outgassing rates were measured using two independent techniques. Lower outgassing rates were achieved by electropolishing and vacuum firing the chamber. The second part of the paper describes NEG pump speed measurements as a function of pressure through the lower part of the UHV range. Measured NEG pump speed is high at pressures above 510^?11 Torr, but may decrease at lower pressures depending on the interpretation of the data. The final section investigates the pump speed of a locally produced NEG coating applied to the vacuum chamber walls. These studies represent the first detailed vacuum measurements of CEBAF photogun vacuum chambers.

  20. Structural and optical properties of DC reactive magnetron sputtered zinc aluminum oxide thin films

    SciTech Connect (OSTI)

    Kumar, B. Rajesh; Rao, T. Subba

    2014-10-15

    Highly transparent conductive Zinc Aluminum Oxide (ZAO) thin films have been deposited on glass substrates using DC reactive magnetron sputtering method. The thin films were deposited at 200 C and post-deposition annealing from 15 to 90 min. XRD patterns of ZAO films exhibit only (0 0 2) diffraction peak, indicating that they have c-axis preferred orientation perpendicular to the substrate. Scanning electron microscopy (SEM) is used to study the surface morphology of the films. The grain size obtained from SEM images of ZAO thin films are found to be in the range of 20 - 26 nm. The minimum resistivity of 1.74 10{sup ?4} ? cm and an average transmittance of 92% are obtained for the thin film post annealed for 30 min. The optical band gap of ZAO thin films increased from 3.49 to 3.60 eV with the increase of annealing time due to Burstein-Moss effect. The optical constants refractive index (n) and extinction coefficient (k) were also determined from the optical transmission spectra.

  1. Fabrication of layered self-standing diamond film by dc arc plasma jet chemical vapor deposition

    SciTech Connect (OSTI)

    Chen, G. C.; Dai, F. W.; Li, B.; Lan, H.; Askari, J.; Tang, W. Z.; Lu, F. X.

    2007-01-15

    Layered self-standing diamond films, consisting of an upper layer, buffer layer, and a lower layer, were fabricated by fluctuating the ratio of methane to hydrogen in high power dc arc plasma jet chemical vapor deposition. There were micrometer-sized columnar diamond crystalline grains in both upper layer and lower layer. The size of the columnar diamond crystalline grains was bigger in the upper layer than that in the lower layer. The orientation of the upper layer was (110), while it was (111) for the lower layer. Raman results showed that no sp{sup 3} peak shift was found in the upper layer, but it was found and blueshifted in the lower layer. This indicated that the internal stress within the film body could be tailored by this layered structure. The buffer layer with nanometer-sized diamond grains formed by secondary nucleation was necessary in order to form the layered film. Growth rate was over 10 {mu}m/h in layered self-standing diamond film fabrication.

  2. DOE Advanced Controls R&D Planning Workshop, June 11, 2003, Washington DC: Workshop Results

    SciTech Connect (OSTI)

    Brambley, Michael R.; Haves, Philip; McDonald, Sean C.; Torcellini, Paul; Hansen, David G.; Holmberg, David; Roth, Kurt

    2005-04-13

    On June 11, 2003, representatives from universities, federal and state government agencies, Department of Energy national laboratories, and the private sector attended a one-day workshop in Washington, DC. The objective of the workshop was to review and provide input into DOE's assessment of the market for advanced sensors and controls technology and potential R&D pathways to enhance their success in the buildings market place. The workshop consisted of two sessions. During the morning session, participants were given an overview on the following topics: market assessment, current applications and strategies for new applications, sensors and controls, networking, security, and protocols and standards, and automated diagnostics, performance measurement, commissioning and optimal control and tools. In the sessions, workshop participants were asked to review the potential R&D pathways, identify high priority activities, and outline a five year path for each of these activities. Priorities were as follows: largest and quickest impact; best use of finite resources; greatest likelihood for market penetration; and ability to replicate results. The participants identified several promising R&D opportunities.

  3. Low noise charge sensitive preamplifier DC stabilized without a physical resistor

    DOE Patents [OSTI]

    Bertuccio, Giuseppe; Rehak, Pavel; Xi, Deming

    1994-09-13

    The invention is a novel charge sensitive preamplifier (CSP) which has no resistor in parallel with the feedback capacitor. No resetting circuit is required to discharge the feedback capacitor. The DC stabilization of the preamplifier is obtained by means of a second feedback loop between the preamplifier output and the common base transistor of the input cascode. The input transistor of the preamplifier is a Junction Field Transistor (JFET) with the gate-source junction forward biased. The detector leakage current flows into this junction. This invention is concerned with a new circuit configuration for a charge sensitive preamplifier and a novel use of the input Field Effect Transistor of the CSP itself. In particular this invention, in addition to eliminating the feedback resistor, eliminates the need for external devices between the detector and the preamplifier, and it eliminates the need for external circuitry to sense the output voltage and reset the CSP. Furthermore, the noise level of the novel CSP is very low, comparable with the performance achieved with other solutions. Experimental tests prove that this configuration for the charge sensitive preamplifier permits an excellent noise performance at temperatures including room temperature. An equivalent noise charge of less than 20 electrons r.m.s. has been measured at room temperature by using a commercial JFET as input device of the preamplifier.

  4. Low noise charge sensitive preamplifier DC stabilized without a physical resistor

    DOE Patents [OSTI]

    Bertuccio, G.; Rehak, P.; Xi, D.

    1994-09-13

    The invention is a novel charge sensitive preamplifier (CSP) which has no resistor in parallel with the feedback capacitor. No resetting circuit is required to discharge the feedback capacitor. The DC stabilization of the preamplifier is obtained by means of a second feedback loop between the preamplifier output and the common base transistor of the input cascode. The input transistor of the preamplifier is a Junction Field Transistor (JFET) with the gate-source junction forward biased. The detector leakage current flows into this junction. This invention is concerned with a new circuit configuration for a charge sensitive preamplifier and a novel use of the input Field Effect Transistor of the CSP itself. In particular this invention, in addition to eliminating the feedback resistor, eliminates the need for external devices between the detector and the preamplifier, and it eliminates the need for external circuitry to sense the output voltage and reset the CSP. Furthermore, the noise level of the novel CSP is very low, comparable with the performance achieved with other solutions. Experimental tests prove that this configuration for the charge sensitive preamplifier permits an excellent noise performance at temperatures including room temperature. An equivalent noise charge of less than 20 electrons r.m.s. has been measured at room temperature by using a commercial JFET as input device of the preamplifier. 6 figs.

  5. Method for manufacturing compound semiconductor field-effect transistors with improved DC and high frequency performance

    DOE Patents [OSTI]

    Zolper, John C.; Sherwin, Marc E.; Baca, Albert G.

    2000-01-01

    A method for making compound semiconductor devices including the use of a p-type dopant is disclosed wherein the dopant is co-implanted with an n-type donor species at the time the n-channel is formed and a single anneal at moderate temperature is then performed. Also disclosed are devices manufactured using the method. In the preferred embodiment n-MESFETs and other similar field effect transistor devices are manufactured using C ions co-implanted with Si atoms in GaAs to form an n-channel. C exhibits a unique characteristic in the context of the invention in that it exhibits a low activation efficiency (typically, 50% or less) as a p-type dopant, and consequently, it acts to sharpen the Si n-channel by compensating Si donors in the region of the Si-channel tail, but does not contribute substantially to the acceptor concentration in the buried p region. As a result, the invention provides for improved field effect semiconductor and related devices with enhancement of both DC and high-frequency performance.

  6. Ab initio potential energy curves of the valence, Rydberg, and ion-pair states of iodine monochloride, ICl

    SciTech Connect (OSTI)

    Kalemos, Apostolos; Prosmiti, Rita

    2014-09-14

    We present for the first time a coherent ab initio study of 39 states of valence, Rydberg, and ion-pair character of the diatomic interhalogen ICl species through large scale multireference variational methods including spin-orbit effects coupled with quantitative basis sets. Various avoided crossings are responsible for a non-adiabatic behaviour creating a wonderful vista for its theoretical description. Our molecular constants are compared with all available experimental data with the aim to assist experimentalists especially in the high energy regime of up to ?95?000 cm{sup ?1}.

  7. Ab-initio study of high temperature lattice dynamics of BCC zirconium (β-Zr) and uranium (γ-U)

    SciTech Connect (OSTI)

    Ghosh, Partha S. Arya, A. Dey, G. K.

    2014-04-24

    Using self consistent ab-initio lattice dynamics calculations, we show that bcc structures of Zr and U phases become stable at high temperature by phonon-phonon interactions. The calculated temperature dependent phonon dispersion curve (PDC) of β-Zr match excellently with experimental PDC. But the calculated PDC for γ-U shows negative phonon frequencies even at solid to liquid transition temperature. We show that this discrepancy is due to an overestimation of instability depth of bcc U phase which is removed by incorporation of spin-orbit coupling in the electronic structure calculations.

  8. Ga-67 vs In-111-DTPA-anti-p97 monoclonal antibody (MoAb) for scintigraphic detection of metastatic melanoma

    SciTech Connect (OSTI)

    Neumann, R.D.; Kirkwood, J.M.; Zoghbi, S.S.; Ernstoff, M.S.; Cornelius, E.A.; Hoffer, P.B.; Gottschalk, A.

    1985-05-01

    The authors have initiated a prospective comparative evaluation of tomographic (Pho/Con) Ga-67 (10 mCi) scintigraphy versus computerized gamma camera radioimmunoscintigraphy using anti-p97 murine MoAb (5 mCi In-111-DTPA conjugated to 1 mg MoAb + 19 mgs ''cold'' MoAb) for detection of metastatic melanoma. To date 9 patients have had both a Ga-67 scan and an anti-p97 MoAb study within a 1 month interval. The 9 patients had 45 known sites of disease greater than 1 cm minimum diameter, located in skin, soft tissue, and/or viscea. In-111-anti-p97 scans were done 72 hrs after i.v. administration of the radiolabeled MoAb mixed together with the ''cold'' carrier MoAb. Ga-67 scans were done 48-72 hrs after injection. MoAb scans detected 30/45 known sites (sensitivity=67%) while the Ga-67 scans found 29/45 of these known sites (sensitivity=64%). Heterogeneity of metastases was evident with the detection of partly overlapping subsets of metastases by the two techniques, i.e. some mets were localized with both techniques while other mets were detected by only one of the two methods. Combined detection with both techniques improved sensitivity from 64-67% to 91%. These preliminary data suggest: 1) comparable sensitivities for Ga-67 and In-111-DTPA anti-p97 scans, 2) heterogeneity of metastases with regard to the localization of these two agents, and 3) improved sensitivity by combining both techniques.

  9. Applications of exact linearization techniques for steady-state stability enhancement in a weak ac/dc system

    SciTech Connect (OSTI)

    Kaprielian, S.; Clements, K. ); Turi, J. )

    1992-05-01

    A nonlinear control strategy to improve the steady-state stability of a weak AC/DC power system is presented. The approach described in this paper is based on the extension of feedback linearization techniques to nonlinear descriptor system models. This method produces a nonlinear control strategy which is capable of enhancing system performance for various system operating conditions. This claim is supported with simulation results.

  10. Comparison of the complete genome sequences of Pseudomonassyringae pv. syringae B728a and pv. tomato DC3000.

    SciTech Connect (OSTI)

    Feil, Helene; Feil, William S.; Chain, Patrick; Larimer, Frank; DiBartolo, Genevieve; Copeland, Alex; Lykidis, Athanasios; Trong,Stephen; Nolan, Matt; Goltsman, Eugene; Thiel, James; Malfatti,Stephanie; Loper, Joyce E.; Lapidus, Alla; Detter, John C.; Land, Miriam; Richardson, Paul M.; Kyrpides, Nikos C.; Ivanova, Natalia; Lindow, StevenE.

    2005-04-01

    The complete genomic sequence of Pseudomonas syringaepathovar syringae B728a (Pss B728a), has been determined and is comparedwith that of Pseudomonas syringae pv. tomato DC3000 (Pst DC3000). Thesetwo pathovars of this economically important species of plant pathogenicbacteria differ in host range and apparent patterns of interaction withplants, with Pss having a more pronounced epiphytic stage of growth andhigher abiotic stress tolerance and Pst DC3000 having a more pronouncedapoplastic growth habitat. The Pss B728a genome (6.1 megabases) containsa circular chromosome and no plasmid, whereas the Pst DC3000 genome is6.5 mbp in size, composed of a circular chromosome and two plasmids.While a high degree of similarity exists between the two sequencedPseudomonads, 976 protein-encoding genes are unique to Pss B728a whencompared to Pst DC3000, including large genomic islands likely tocontribute to virulence and host specificity. Over 375 repetitiveextragenic palindromic sequences (REPs) unique to Pss B728a when comparedto Pst DC3000 are widely distributed throughout the chromosome except in14 genomic islands, which generally had lower GC content than the genomeas a whole. Content of the genomic islands vary, with one containing aprophage and another the plasmid pKLC102 of P. aeruginosa PAO1. Among the976 genes of Pss B728a with no counterpart in Pst DC3000 are thoseencoding for syringopeptin (SP), syringomycin (SR), indole acetic acidbiosynthesis, arginine degradation, and production of ice nuclei. Thegenomic comparison suggests that several unique genes for Pss B728a suchas ectoine synthase, DNA repair, and antibiotic production may contributeto epiphytic fitness and stress tolerance of this organism. Pseudomonassyringae, a member of the gamma subgroup of the Proteobacteria, is awidespread bacterial pathogen of many plant species. The species P.syringae is subdivided into approximately 50 pathovars based onpathogenicity and host range. P. syringae is capable of producing avariety of different symptoms depending on the host species and site ofinfection. For example, it causes leaf spot diseases that defoliateplants such as tomato, bean, soybean, trunk cankers, and so-called"blast" diseases on fruit, nut and ornamental species. Considerablevariation occurs both between and within different pathovars of P.syringae (1). Because of its importance as a plant pathogen, it has beenthe subject of much research, especially of its epidemiology andvirulence mechanisms (2). Pseudomonas syringae pv. syringae (Pss) strainB728a is typical of most strains of this pathovar in that it exhibits avery pronounced epiphytic phase on plants. Such strains achieve andmaintain large populations on healthy plants, where they are exposed tostressful conditions such as dryness and sunlight that are hostile tobacterial growth(2). Epiphytic Pss populations serve as inocula that cansubsequently invade plants and initiate disease. Pss strains are distinctfrom many P. syringae strains, such as P. syringae pv. tomato (Pst)strain DC3000, that poorly colonize the exterior of plants; these strainsmay be considered "endophytes" based on their ability to multiply mostlywithin the plant (3). True epiphytes such as Pss B728a often reachsurface populations of over 107 cells/g while strains such as Pst DC3000seldom exceed 105 cells/g (2, 3). Thus, these strains might be consideredto occupy different ends of the epiphytic/endophytic spectrum of plantcolonization as described by Beattie and Lindow (4). As a pathogen and anepiphyte, Pss B728a has evolved to exploit at least two distincthabitats: the leaf surface and apoplast. Because rapid changes intemperature, low water content, and incident solar radiation occur onleaf surfaces, it has been hypothesized that the epiphyte Pss B728aposseses more genes conferring environmental stress tolerance than theendophyte Pst DC3000 (4). Pss B728a also exhibits several traits such asice nucleation activity and SR production (2) that are lacking in manyother strains of P. syringae including Pst DC3000. As the most icenucleation active bacterial species, P. syringae is responsible forinciting frost injury to frost sensitive plants that can supercool andavoid damaging ice formation if not colonized by ice nucleation activebacteria (2,4). We present here a genomic comparison between strains PssB728a and Pst DC3000 of P. syringae pathovars as well as between thesestrains and P. aeruginosa and P. putida, two additional Pseudomonadsrecently sequenced. These genomic comparisons provide insights into theevolutionary history and diverse life styles of the pseudomonads,including their association with the environment, plant or mammalianhosts.

  11. Modeling and simulation, and their validation of three-phase transformers with three legs under DC bias

    SciTech Connect (OSTI)

    Fuchs, E.F.; You, Y.; Roesler, D.J.

    1999-04-01

    This paper proposes a new model for three-phase transformers with three legs with and without tank under DC bias based on electric and magnetic circuit theory. For the calculation of the nonsinusoidal no-load currents, a combination of time and frequency domains is used. The analysis shows that (1) asymmetric three-phase transformers with three legs generate magnetizing currents with triplen harmonics not being of the zero-sequence type. (2) The wave shapes of the three magnetizing currents of (asymmetric) transformers are dependent on the phase sequence. (3) The magnetic history of transformer magnetization -- due to residual magnetization and hysteresis of the tank -- cannot be ignored if a DC bias is present and the magnetic influence of the tank is relatively strong, e.g., for oil-cooled transformers. (4) Symmetric three-phase transformers with three legs generate no-load currents without triplen harmonics. (5) The effects of DC bias currents (e.g., reactive power demand, harmonic distortion) can be suppressed employing symmetric three-phase transformers with three legs including tank. Measurements corroborate computational results; thus this nonlinear model is valid and accurate.

  12. Charge and fluence lifetime measurements of a dc high voltage GaAs photogun at high average current

    SciTech Connect (OSTI)

    J. Grames, R. Suleiman, P.A. Adderley, J. Clark, J. Hansknecht, D. Machie, M. Poelker, M.L. Stutzman

    2011-04-01

    GaAs-based dc high voltage photoguns used at accelerators with extensive user programs must exhibit long photocathode operating lifetime. Achieving this goal represents a significant challenge for proposed high average current facilities that must operate at tens of milliamperes or more. This paper describes techniques to maintain good vacuum while delivering beam, and techniques that minimize the ill effects of ion bombardment, the dominant mechanism that reduces photocathode yield of a GaAs-based dc high voltage photogun. Experimental results presented here demonstrate enhanced lifetime at high beam currents by: (a) operating with the drive laser beam positioned away from the electrostatic center of the photocathode, (b) limiting the photocathode active area to eliminate photoemission from regions of the photocathode that do not support efficient beam delivery, (c) using a large drive laser beam to distribute ion damage over a larger area, and (d) by applying a relatively low bias voltage to the anode to repel ions created within the downstream beam line. A combination of these techniques provided the best total charge extracted lifetimes in excess of 1000 C at dc beam currents up to 9.5 mA, using green light illumination of bulk GaAs inside a 100 kV photogun.

  13. TiN coated aluminum electrodes for DC high voltage electron guns

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

    Mamun, Md Abdullah A.; Elmustafa, Abdelmageed A.; Taus, Rhys; Forman, Eric; Poelker, Matthew

    2015-05-01

    Preparing electrodes made of metals like stainless steel, for use inside DC high voltage electron guns, is a labor-intensive and time-consuming process. In this paper, the authors report the exceptional high voltage performance of aluminum electrodes coated with hard titanium nitride (TiN). The aluminum electrodes were comparatively easy to manufacture and required only hours of mechanical polishing using silicon carbide paper, prior to coating with TiN by a commercial vendor. The high voltage performance of three TiN-coated aluminum electrodes, before and after gas conditioning with helium, was compared to that of bare aluminum electrodes, and electrodes manufactured from titanium alloymore » (Ti-6AI-4V). Following gas conditioning, each TiN-coated aluminum electrode reached -225 kV bias voltage while generating less than 100 pA of field emission (<10 pA) using a 40 mm cathode/anode gap, corresponding to field strength of 13.7 MV/m. Smaller gaps were studied to evaluate electrode performance at higher field strength with the best performing TiN-coated aluminum electrode reaching ~22.5 MV/m with field emission less than 100 pA. These results were comparable to those obtained from our best-performing electrodes manufactured from stainless steel, titanium alloy and niobium, as reported in references cited below. The TiN coating provided a very smooth surface and with mechanical properties of the coating (hardness and modulus) superior to those of stainless steel, titanium-alloy, and niobium electrodes. These features likely contributed to the improved high voltage performance of the TiN-coated aluminum electrodes.« less

  14. TiN coated aluminum electrodes for DC high voltage electron guns

    SciTech Connect (OSTI)

    Mamun, Md Abdullah A.; Elmustafa, Abdelmageed A.; Taus, Rhys; Forman, Eric; Poelker, Matthew

    2015-05-15

    Preparing electrodes made of metals like stainless steel, for use inside DC high voltage electron guns, is a labor-intensive and time-consuming process. In this paper, the authors report the exceptional high voltage performance of aluminum electrodes coated with hard titanium nitride (TiN). The aluminum electrodes were comparatively easy to manufacture and required only hours of mechanical polishing using silicon carbide paper, prior to coating with TiN by a commercial vendor. The high voltage performance of three TiN-coated aluminum electrodes, before and after gas conditioning with helium, was compared to that of bare aluminum electrodes, and electrodes manufactured from titanium alloy (Ti-6Al-4V). Following gas conditioning, each TiN-coated aluminum electrode reached −225 kV bias voltage while generating less than 100 pA of field emission (<10 pA) using a 40 mm cathode/anode gap, corresponding to field strength of 13.7 MV/m. Smaller gaps were studied to evaluate electrode performance at higher field strength with the best performing TiN-coated aluminum electrode reaching ∼22.5 MV/m with field emission less than 100 pA. These results were comparable to those obtained from our best-performing electrodes manufactured from stainless steel, titanium alloy and niobium, as reported in references cited below. The TiN coating provided a very smooth surface and with mechanical properties of the coating (hardness and modulus) superior to those of stainless steel, titanium-alloy, and niobium electrodes. These features likely contributed to the improved high voltage performance of the TiN-coated aluminum electrodes.

  15. An experimental and theoretical investigation of a magnetically confined dc plasma discharge

    SciTech Connect (OSTI)

    Rondanini, Maurizio; Cavallotti, Carlo; Ricci, Daria; Chrastina, Daniel; Isella, Giovanni; Moiseev, Tamara; Kaenel, Hans von

    2008-07-01

    A magnetically confined dc plasma discharge sustained by a thermionic source was investigated using a combined experimental and theoretical approach. The discharge originates in an arc plasma source and is expanded in a cylindrical chamber, where it is stabilized by an annular anode. The plasma expansion is contained by an axial magnetic field generated by coils positioned at the top and the bottom of the reactor. The plasma reactor design allows control of the energy of ions impinging on the substrate and thus a high electron density of about 10{sup 17} m{sup -3} at 1 Pa can be reached. The plasma is studied using a model composed of the Poisson and of the charged species continuity equations, solved in the flow and temperature fields determined by solving the Navier-Stokes and Fourier equations. The model equations are integrated using the finite element method in a two-dimensional axial symmetric domain. Ionization rates are either assumed constant or determined by solving the Boltzmann transport equation in the local electric field with the Monte Carlo (MC) method. Electron and ion transport parameters are determined by accounting for magnetic confinement through a simplified solution of the ion and electron momentum conservation equations, which yielded parameters in good agreement with those determined with the MC simulations. Calculated electron densities and plasma potentials were satisfactorily compared to those measured using a Langmuir probe. The model demonstrates that the intensity of the magnetic field greatly influences the electron density, so that a decrease by a factor of 2 in its intensity corresponds to a decrease by almost an order of magnitude of the electron and ion concentrations.

  16. Evaluation of electropolished stainless steel electrodes for use in DC high voltage photoelectron guns

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

    BastaniNejad, Mahzad; Elmustafa, Abdelmageed A.; Forman, Eric; Covert, Steven; Hansknecht, John; Hernandez-Garcia, Carlos; Poelker, Matthew; Das, Lopa; Kelley, Michael; Williams, Phillip

    2015-07-01

    DC high voltage photoelectron guns are used to produce polarized electron beams for accelerator-based nuclear and high-energy physics research. Low-level field emission (~nA) from the cathode electrode degrades the vacuum within the photogun and reduces the photoelectron yield of the delicate GaAs-based photocathode used to produce the electron beams. High-level field emission (>μA) can cause significant damage the photogun. To minimize field emission, stainless steel electrodes are typically diamond-paste polished, a labor-intensive process often yielding field emission performance with a high degree of variability, sample to sample. As an alternative approach and as comparative study, the performance of electrodes electropolishedmore » by conventional commercially available methods is presented. Our observations indicate the electropolished electrodes exhibited less field emission upon the initial application of high voltage, but showed less improvement with gas conditioning compared to the diamond-paste polished electrodes. In contrast, the diamond-paste polished electrodes responded favorably to gas conditioning, and ultimately reached higher voltages and field strengths without field emission, compared to electrodes that were only electropolished. The best performing electrode was one that was both diamond-paste polished and electropolished, reaching a field strength of 18.7 MV/m while generating less than 100 pA of field emission. The speculate that the combined processes were the most effective at reducing both large and small scale topography. However, surface science evaluation indicates topography cannot be the only relevant parameter when it comes to predicting field emission performance.« less

  17. Evaluation of electropolished stainless steel electrodes for use in DC high voltage photoelectron guns

    SciTech Connect (OSTI)

    BastaniNejad, Mahzad; Elmustafa, Abdelmageed A.; Forman, Eric; Covert, Steven; Hansknecht, John; Hernandez-Garcia, Carlos; Poelker, Matthew; Das, Lopa; Kelley, Michael; Williams, Phillip

    2015-07-01

    DC high voltage photoelectron guns are used to produce polarized electron beams for accelerator-based nuclear and high-energy physics research. Low-level field emission (~nA) from the cathode electrode degrades the vacuum within the photogun and reduces the photoelectron yield of the delicate GaAs-based photocathode used to produce the electron beams. High-level field emission (>?A) can cause significant damage the photogun. To minimize field emission, stainless steel electrodes are typically diamond-paste polished, a labor-intensive process often yielding field emission performance with a high degree of variability, sample to sample. As an alternative approach and as comparative study, the performance of electrodes electropolished by conventional commercially available methods is presented. Our observations indicate the electropolished electrodes exhibited less field emission upon the initial application of high voltage, but showed less improvement with gas conditioning compared to the diamond-paste polished electrodes. In contrast, the diamond-paste polished electrodes responded favorably to gas conditioning, and ultimately reached higher voltages and field strengths without field emission, compared to electrodes that were only electropolished. The best performing electrode was one that was both diamond-paste polished and electropolished, reaching a field strength of 18.7 MV/m while generating less than 100 pA of field emission. The speculate that the combined processes were the most effective at reducing both large and small scale topography. However, surface science evaluation indicates topography cannot be the only relevant parameter when it comes to predicting field emission performance.

  18. Evaluation of electropolished stainless steel electrodes for use in DC high voltage photoelectron guns

    SciTech Connect (OSTI)

    BastaniNejad, Mahzad Elmustafa, Abdelmageed A.; Forman, Eric; Covert, Steven; Hansknecht, John; Hernandez-Garcia, Carlos; Poelker, Matthew; Das, Lopa; Kelley, Michael; Williams, Phillip

    2015-07-15

    DC high voltage photoelectron guns are used to produce polarized electron beams for accelerator-based nuclear and high-energy physics research. Low-level field emission (?nA) from the cathode electrode degrades the vacuum within the photogun and reduces the photoelectron yield of the delicate GaAs-based photocathode used to produce the electron beams. High-level field emission (>?A) can cause significant damage the photogun. To minimize field emission, stainless steel electrodes are typically diamond-paste polished, a labor-intensive process often yielding field emission performance with a high degree of variability, sample to sample. As an alternative approach and as comparative study, the performance of electrodes electropolished by conventional commercially available methods is presented. Our observations indicate the electropolished electrodes exhibited less field emission upon the initial application of high voltage, but showed less improvement with gas conditioning compared to the diamond-paste polished electrodes. In contrast, the diamond-paste polished electrodes responded favorably to gas conditioning, and ultimately reached higher voltages and field strengths without field emission, compared to electrodes that were only electropolished. The best performing electrode was one that was both diamond-paste polished and electropolished, reaching a field strength of 18.7 MV/m while generating less than 100?pA of field emission. The authors speculate that the combined processes were the most effective at reducing both large and small scale topography. However, surface science evaluation indicates topography cannot be the only relevant parameter when it comes to predicting field emission performance.

  19. TiN coated aluminum electrodes for DC high voltage electron guns

    SciTech Connect (OSTI)

    Mamun, Md Abdullah A.; Elmustafa, Abdelmageed A.; Taus, Rhys; Forman, Eric; Poelker, Matthew

    2015-05-01

    Preparing electrodes made of metals like stainless steel, for use inside DC high voltage electron guns, is a labor-intensive and time-consuming process. In this paper, the authors report the exceptional high voltage performance of aluminum electrodes coated with hard titanium nitride (TiN). The aluminum electrodes were comparatively easy to manufacture and required only hours of mechanical polishing using silicon carbide paper, prior to coating with TiN by a commercial vendor. The high voltage performance of three TiN-coated aluminum electrodes, before and after gas conditioning with helium, was compared to that of bare aluminum electrodes, and electrodes manufactured from titanium alloy (Ti-6AI-4V). Following gas conditioning, each TiN-coated aluminum electrode reached -225 kV bias voltage while generating less than 100 pA of field emission (<10 pA) using a 40 mm cathode/anode gap, corresponding to field strength of 13.7 MV/m. Smaller gaps were studied to evaluate electrode performance at higher field strength with the best performing TiN-coated aluminum electrode reaching ~22.5 MV/m with field emission less than 100 pA. These results were comparable to those obtained from our best-performing electrodes manufactured from stainless steel, titanium alloy and niobium, as reported in references cited below. The TiN coating provided a very smooth surface and with mechanical properties of the coating (hardness and modulus) superior to those of stainless steel, titanium-alloy, and niobium electrodes. These features likely contributed to the improved high voltage performance of the TiN-coated aluminum electrodes.

  20. Production of monoclonal antibody (MoAB) CS-1 against platelet glycoprotein IIb-IIIa (GP IIb-IIIa)

    SciTech Connect (OSTI)

    Ramsamooj, P.; Morris, M.; Doellgast, G.; Hantgan, R.

    1987-05-01

    Platelet aggregation is mediated by the binding of fibrinogen (FGN) to the platelet GP IIb-IIIa complex. Receptor complex was purified from a solubilized platelet membrane fraction followed by lentil-lectin affinity chromatography and gel filtration. SDS-PAGE showed the product to be the complex, GP IIb-IIIa; light scattering intensity measurements indicated a Ca/sup 2 +/-dependent complex of the appropriate MW. Purified complex was then used to raise antibodies in Balb-c mice by standard hybridoma technology; positive cells were found by ELISA enabling the detection of antibody concentrations as low as 3 ng/ml. The MoABs were purified from both culture supernatant and ascites fluid by ion exchange and protein-A affinity chromatography. Western blotting determined that CS-1 is specific for nonreduced GP IIIa but not reduced GP IIIa or any form of GP IIb. CS-1 inhibited binding of radiolabeled FGN to ADP-stimulated platelets by 40-50% over a concentration range of 5-70 ..mu..g/ml. Flow cytometric analysis confirmed that CS-1 recognized a protein on the surface of both resting and stimulated platelets. The determined specificity of CS-1 and its limited ability to inhibit FGN binding to platelets make this MoAB useful for analysis of the structural and functional relationships between fibrin(ogen) and GP IIb-IIIa.

  1. Verification of Anderson superexchange in MnO via magnetic pair distribution function analysis and ab initio theory

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

    Benjamin A. Frandsen; Brunelli, Michela; Page, Katharine; Uemura, Yasutomo J.; Staunton, Julie B.; Billinge, Simon J. L.

    2016-05-11

    Here, we present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ~1 nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominatedmore » by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. Furthermore, the Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.« less

  2. Data:E27214d6-18ee-410f-87b6-ecf189dc6f07 | Open Energy Information

    Open Energy Info (EERE)

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  3. Data:6941e69c-3b58-4100-9f8a-95b61dc551f9 | Open Energy Information

    Open Energy Info (EERE)

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  4. Use of Management and Operating or Other Facility Management Contractor Employees for Services to DOE in the Washington, D.C., Area

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

    2003-10-29

    To establish policies and procedures for management of DOE, including NNSA, Management and Operating (M&O) and other facility management contractor employees assigned to the Washington, D.C., area. Cancels DOE O 350.2.

  5. Use of Management and Operating or Other Facility Management Contractor Employees for Services to DOE in the Washington, D.C. Area

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

    2015-05-18

    The Order establishes policies and procedures for managing DOE and NNSA management and operating (M&O) contractors and other facility management contractor employees assigned to the Washington, D.C., area.

  6. Development of a New Class of Low Cost, High Frequency Link Direct DC to AC Converters for Solid Oxide Fuel Cells (SOFC)

    SciTech Connect (OSTI)

    Prasad Enjeti; J.W. Howze

    2003-12-01

    This project proposes to design and develop a new class of power converters (direct DC to AC) to drastically improve performance and optimize the cost, size, weight and volume of the DC to AC converter in SOFC systems. The proposed topologies employ a high frequency link; direct DC to AC conversion approach. The direct DC to AC conversion approach is more efficient and operates without an intermediate dc-link stage. The absence of the dc-link, results in the elimination of bulky, aluminum electrolytic capacitors, which in turn leads to a reduction in the cost, volume, size and weight of the power electronic converter. The feasibility of two direct DC to AC converter topologies and their suitability to meet SECA objectives will be investigated. Laboratory proto-type converters (3-5kW) will be designed and tested in Phase-1. A detailed design trade-off study along with the test results will be available in the form of a report for the evaluation of SECA Industrial partners. This project proposes to develop a new and innovative power converter technology suitable for Solid Oxide Fuel Cell (SOFC) power systems in accordance with SECA objectives. The proposed fuel cell inverter (FCI) employs state of the art power electronic devices configured in two unique topologies to achieve direct conversion of DC power (24-48V) available from a SOFC to AC power (120/240V, 60Hz) suitable for utility interface and powering stand alone loads. The primary objective is to realize cost effective fuel cell converter, which operates under a wide input voltage range, and output load swings with high efficiency and improved reliability.

  7. Scaling of economic benefits from Green Roof implementation in Washington, DC.

    SciTech Connect (OSTI)

    Niu, H.; Clark, C. E.; Zhou, J.; Adriaens, P.; Environmental Science Division; Dalian Univ. of Technology; Univ. of Michigan

    2010-06-01

    Green roof technology is recognized for mitigating stormwater runoff and energy consumption. Methods to overcome the cost gap between green roofs and conventional roofs were recently quantified by incorporating air quality benefits. This study investigates the impact of scaling on these benefits at the city-wide scale using Washington, DC as a test bed because of the proposed targets in the 20-20-20 vision (20 million ft{sup 2} by 2020) articulated by Casey Trees, a nonprofit organization. Building-specific stormwater benefits were analyzed assuming two proposed policy scenarios for stormwater fees ranging from 35 to 50% reduction for green roof implementation. Heat flux calculations were used to estimate building-specific energy savings for commercial buildings. To assess benefits at the city scale, stormwater infrastructure savings were based on operational savings and size reduction due to reduced stormwater volume generation. Scaled energy infrastructure benefits were calculated using two size reductions methods for air conditioners. Avoided carbon dioxide, nitrogen oxide (NOx), and sulfur dioxide emissions were based on reductions in electricity and natural gas consumption. Lastly, experimental and fugacity-based estimates were used to quantify the NOx uptake by green roofs, which was translated to health benefits using U.S. Environmental Protection Agency models. The results of the net present value (NPV) analysis showed that stormwater infrastructure benefits totaled $1.04 million (M), while fee-based stormwater benefits were $0.22-0.32 M/y. Energy savings were $0.87 M/y, while air conditioner resizing benefits were estimated at $0.02 to $0.04 M/y and avoided emissions benefits (based on current emission trading values) were $0.09 M-0.41 M/y. Over the lifetime of the green roof (40 years), the NPV is about 30-40% less than that of conventional roofs (not including green roof maintenance costs). These considerable benefits, in concert with current and emerging policy frameworks, may facilitate future adoption of this technology.

  8. Brushed permanent magnet DC MLC motor operation in an external magnetic field

    SciTech Connect (OSTI)

    Yun, J.; St Aubin, J.; Rathee, S.; Fallone, B. G.

    2010-05-15

    Purpose: Linac-MR systems for real-time image-guided radiotherapy will utilize the multileaf collimators (MLCs) to perform conformal radiotherapy and tumor tracking. The MLCs would be exposed to the external fringe magnetic fields of the linac-MR hybrid systems. Therefore, an experimental investigation of the effect of an external magnetic field on the brushed permanent magnet DC motors used in some MLC systems was performed. Methods: The changes in motor speed and current were measured for varying external magnetic field strengths up to 2000 G generated by an EEV electromagnet. These changes in motor characteristics were measured for three orientations of the motor in the external magnetic field, mimicking changes in motor orientations due to installation and/or collimator rotations. In addition, the functionality of the associated magnetic motor encoder was tested. The tested motors are used with the Varian 120 leaf Millennium MLC (Maxon Motor half leaf and full leaf motors) and the Varian 52 leaf MKII MLC (MicroMo Electronics leaf motor) including a carriage motor (MicroMo Electronics). Results: In most cases, the magnetic encoder of the motors failed prior to any damage to the gearbox or the permanent magnet motor itself. This sets an upper limit of the external magnetic field strength on the motor function. The measured limits of the external magnetic fields were found to vary by the motor type. The leaf motor used with a Varian 52 leaf MKII MLC system tolerated up to 450{+-}10 G. The carriage motor tolerated up to 2000{+-}10 G field. The motors used with the Varian 120 leaf Millennium MLC system were found to tolerate a maximum of 600{+-}10 G. Conclusions: The current Varian MLC system motors can be used for real-time image-guided radiotherapy coupled to a linac-MR system, provided the fringe magnetic fields at their locations are below the determined tolerance levels. With the fringe magnetic fields of linac-MR systems expected to be larger than the tolerance levels determined, some form of magnetic shielding would be required.

  9. Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab-initio Studies of Zero-Field Splittings

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

    Stavretis, Shelby E.; Atanasov, Mihail; Podlesnyak, Andrey A.; Hunter, Seth C.; Neese, Frank; Xue, Zi-Ling

    2015-10-02

    Zero-field splitting (ZFS) parameters of nondeuterated metalloporphyrins [Fe(TPP)X] (X = F, Br, I; H2TPP = tetraphenylporphyrin) are determined by inelastic neutron scattering (INS). The ZFS values are D = 4.49(9) cm–1 for tetragonal polycrystalline [Fe(TPP)F], and D = 8.8(2) cm–1, E = 0.1(2) cm–1 and D = 13.4(6) cm–1, E = 0.3(6) cm–1 for monoclinic polycrystalline [Fe(TPP)Br] and [Fe(TPP)I], respectively. Along with our recent report of the ZFS value of D = 6.33(8) cm–1 for tetragonal polycrystalline [Fe(TPP)Cl], these data provide a rare, complete determination of ZFS parameters in a metalloporphyrin halide series. The electronic structure of [Fe(TPP)X] (X =more » F, Cl, Br, I) has been studied by multireference ab initio methods: the complete active space self-consistent field (CASSCF) and the N-electron valence perturbation theory (NEVPT2) with the aim of exploring the origin of the large and positive zero-field splitting D of the 6A1 ground state. D was calculated from wave functions of the electronic multiplets spanned by the d5 configuration of Fe(III) along with spin–orbit coupling accounted for by quasi degenerate perturbation theory. Results reproduce trends of D from inelastic neutron scattering data increasing in the order from F, Cl, Br, to I. A mapping of energy eigenvalues and eigenfunctions of the S = 3/2 excited states on ligand field theory was used to characterize the σ- and π-antibonding effects decreasing from F to I. This is in agreement with similar results deduced from ab initio calculations on CrX63- complexes and also with the spectrochemical series showing a decrease of the ligand field in the same directions. A correlation is found between the increase of D and decrease of the π- and σ-antibonding energies eλX (λ = σ, π) in the series from X = F to I. Analysis of this correlation using second-order perturbation theory expressions in terms of angular overlap parameters rationalizes the experimentally deduced trend. Furthermore, D parameters from CASSCF and NEVPT2 results have been calibrated against those from the INS data, yielding a predictive power of these approaches. Methods to improve the quantitative agreement between ab initio calculated and experimental D and spectroscopic transitions for high-spin Fe(III) complexes are proposed.« less

  10. Effects of boron-nitride substrates on Stone-Wales defect formation in graphene: An ab initio molecular dynamics study

    SciTech Connect (OSTI)

    Jin, K.; Xiao, H. Y. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Zhang, Y. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Weber, W. J., E-mail: wjweber@utk.edu [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2014-05-19

    Ab initio molecular dynamics simulations are performed to investigate the effects of a boron nitride (BN) substrate on Stone-Wales (SW) defect formation and recovery in graphene. It is found that SW defects can be created by an off-plane recoil atom that interacts with the BN substrate. A mechanism with complete bond breakage for formation of SW defects in suspended graphene is also revealed for recoils at large displacement angles. In addition, further irradiation can result in recovery of the SW defects through a bond rotation mechanism in both graphene and graphene/BN, and the substrate has little effect on the recovery process. This study indicates that the BN substrate enhances the irradiation resistance of graphene.

  11. Non-adiabatic ab initio molecular dynamics of supersonic beam epitaxy of silicon carbide at room temperature

    SciTech Connect (OSTI)

    Taioli, Simone; Garberoglio, Giovanni; Simonucci, Stefano; Beccara, Silvio a; Aversa, Lucrezia; Nardi, Marco; Verucchi, Roberto; Iannotta, Salvatore; Dapor, Maurizio; and others

    2013-01-28

    In this work, we investigate the processes leading to the room-temperature growth of silicon carbide thin films by supersonic molecular beam epitaxy technique. We present experimental data showing that the collision of fullerene on a silicon surface induces strong chemical-physical perturbations and, for sufficient velocity, disruption of molecular bonds, and cage breaking with formation of nanostructures with different stoichiometric character. We show that in these out-of-equilibrium conditions, it is necessary to go beyond the standard implementations of density functional theory, as ab initio methods based on the Born-Oppenheimer approximation fail to capture the excited-state dynamics. In particular, we analyse the Si-C{sub 60} collision within the non-adiabatic nuclear dynamics framework, where stochastic hops occur between adiabatic surfaces calculated with time-dependent density functional theory. This theoretical description of the C{sub 60} impact on the Si surface is in good agreement with our experimental findings.

  12. Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging

    SciTech Connect (OSTI)

    Makhov, Dmitry V.; Saita, Kenichiro; Martinez, Todd J.; Shalashilin, Dmitrii V.

    2014-12-11

    In this study, we report a detailed computational simulation of the photodissociation of pyrrole using the ab initio Multiple Cloning (AIMC) method implemented within MOLPRO. The efficiency of the AIMC implementation, employing train basis sets, linear approximation for matrix elements, and Ehrenfest configuration cloning, allows us to accumulate significant statistics. We calculate and analyze the total kinetic energy release (TKER) spectrum and Velocity Map Imaging (VMI) of pyrrole and compare the results directly with experimental measurements. Both the TKER spectrum and the structure of the velocity map image (VMI) are well reproduced. Previously, it has been assumed that the isotropic component of the VMI arises from long time statistical dissociation. Instead, our simulations suggest that ultrafast dynamics contributes significantly to both low and high energy portions of the TKER spectrum.

  13. Ab initio molecular dynamics of Al irradiation-induced processes during Al{sub 2}O{sub 3} growth

    SciTech Connect (OSTI)

    Music, Denis; Nahif, Farwah; Friederichsen, Niklas; Schneider, Jochen M.; Sarakinos, Kostas

    2011-03-14

    Al bombardment induced structural changes in {alpha}-Al{sub 2}O{sub 3} (R-3c) and {gamma}-Al{sub 2}O{sub 3} (Fd-3m) were studied using ab initio molecular dynamics. Diffusion and irradiation damage occur for both polymorphs in the kinetic energy range from 3.5 to 40 eV. However, for {gamma}-Al{sub 2}O{sub 3}(001) subplantation of impinging Al causes significantly larger irradiation damage and hence larger mobility as compared to {alpha}-Al{sub 2}O{sub 3}. Consequently, fast diffusion along {gamma}-Al{sub 2}O{sub 3}(001) gives rise to preferential {alpha}-Al{sub 2}O{sub 3}(0001) growth, which is consistent with published structure evolution experiments.

  14. High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets

    SciTech Connect (OSTI)

    Erba, A. Mahmoud, A.; Dovesi, R.; Belmonte, D.

    2014-03-28

    A computational strategy is devised for the accurate ab initio simulation of elastic properties of crystalline materials under pressure. The proposed scheme, based on the evaluation of the analytical stress tensor and on the automated computation of pressure-dependent elastic stiffness constants, is implemented in the CRYSTAL solid state quantum-chemical program. Elastic constants and related properties (bulk, shear and Young moduli, directional seismic wave velocities, elastic anisotropy index, Poisson's ratio, etc.) can be computed for crystals of any space group of symmetry. We apply such a technique to the study of high-pressure elastic properties of three silicate garnet end-members (namely, pyrope, grossular, and andradite) which are of great geophysical interest, being among the most important rock-forming minerals. The reliability of this theoretical approach is proved by comparing with available experimental measurements. The description of high-pressure properties provided by several equations of state is also critically discussed.

  15. On the full exploitation of symmetry in periodic (as well as molecular) self-consistent-field ab initio calculations

    SciTech Connect (OSTI)

    Orlando, Roberto Erba, Alessandro; Dovesi, Roberto; De La Pierre, Marco; Zicovich-Wilson, Claudio M.

    2014-09-14

    Use of symmetry can dramatically reduce the computational cost (running time and memory allocation) of self-consistent-field ab initio calculations for molecular and crystalline systems. Crucial for running time is symmetry exploitation in the evaluation of one- and two-electron integrals, diagonalization of the Fock matrix at selected points in reciprocal space, reconstruction of the density matrix. As regards memory allocation, full square matrices (overlap, Fock, and density) in the Atomic Orbital (AO) basis are avoided and a direct transformation from the packed AO to the symmetry adapted crystalline orbital basis is performed, so that the largest matrix to be handled has the size of the largest sub-block in the latter basis. Quantitative examples, referring to the implementation in the CRYSTAL code, are given for high symmetry families of compounds such as carbon fullerenes and nanotubes.

  16. Characterization of amorphous In{sub 2}O{sub 3}: An ab initio molecular dynamics study

    SciTech Connect (OSTI)

    Aliano, Antonio; Catellani, Alessandra; Cicero, Giancarlo

    2011-11-21

    In this work, we report on the structural and electronic properties of amorphous In{sub 2}O{sub 3} obtained with ab initio molecular dynamics. Our results show crystal-like short range InO{sub 6} polyhedra having average In-O distance consistent with x-ray spectroscopy data. Structural disorder yields band tailing and localized states, which are responsible of a strong reduction of the electronic gap. Most importantly, the appearance of a peculiar O-O bond imparts n-type character to the amorphous compound and provides contribution for interpreting spectroscopic measurements on indium based oxidized systems. Our findings portray characteristic features to attribute transparent semiconductive properties to amorphous In{sub 2}O{sub 3}.

  17. Suhr 7900.955 L*E+ru Pkzza. S. Iv.. Washington, D.C. 20024-i

    Office of Legacy Management (LM)

    Suhr 7900.955 L*E+ru Pkzza. S. Iv.. Washington, D.C. 20024-i 7117~03.8J.cdy.4 23 September 19E M r. Andrew Wallo, III, NE-23 Division of Facility & Site Decommissioning Projects U.S. Department of Energy Germantown, Maryland 20545 Dear M r. Wallo: ELIMINATION RECOMMENDATION -- COLLEGES AND UN11 The attached elimination recommendation was prepar with your suggestion during our meeting on 22 September includes 26 colleges and universities identified.in Enc Aerospace letter subject: Status of

  18. Influence of the airflow speed along transmission lines on the DC corona discharge loss, using finite element approach

    SciTech Connect (OSTI)

    Shemshadi, A.; Akbari, A.; Niayesh, K.

    2012-07-15

    Corona discharge is of great interest from the physical point of view and due to its numerous practical applications in industry and especially one of the most important sources of loss in the high voltage transmission lines. This paper provides guidelines for the amount of electric loss caused by corona phenomenon occurred around a DC high voltage wire placed between two flat plates and influence of wind speed rate on the amount of corona loss using COMSOL Multiphysics. So electric potential distribution patterns and charge density diffusion around the wire are studied in this article.

  19. E&nr Ph. S. W.. Wahhgt~n. D.C. 200242174, TIkpbnc (202) 48a60uo

    Office of Legacy Management (LM)

    75' 00.955 L' E&nr Ph. S. W.. Wahhgt~n. D.C. 200242174, TIkpbnc (202) 48a60uo 7117-03.87.cdy.43 23 September 1987 CR CA.d M r. Andrew Wallo, III, NE-23 Division of Facility & Site Decoaunissioning Projects U.S. Department of Energy Germantown, Maryland 20545 Dear M r. Wallo: ELIMINATION RECOMMENDATION -- COLLEGES AND UNIVERSITIES M /4.0-03 kl 77.0% I - The attached elimination reconunendation was prepared in accordance rlL.0~ with your suggestion during our meeting on 22 September. The

  20. A Five-Level Three-Phase Cascade Multilevel Inverter Using a Single DC Source for a PM Synchronous Motor Drive

    SciTech Connect (OSTI)

    Ozpineci, Burak; Chiasson, John N; Tolbert, Leon M

    2007-01-01

    The interest here is in using a single DC power source to construct a 3-phase 5-level cascade multilevel inverter to be used as a drive for a PM traction motor. The 5-level inverter consists of a standard 3-leg inverter (one leg for each phase) and an H-bridge in series with each inverter leg, which use a capacitor as a DC source. It is shown that one can simultaneously maintain the regulation of the capacitor voltage while achieving an output voltage waveform which is 25% higher than that obtained using a standard 3-leg inverter by itself.

  1. 2MASS 22344161+4041387AB: A WIDE, YOUNG, ACCRETING, LOW-MASS BINARY IN THE LkH{alpha}233 GROUP

    SciTech Connect (OSTI)

    Allers, K. N.; Liu, Michael C.; Cushing, Michael C.; Dupuy, Trent J.; Mathews, Geoffrey S.; Shkolnik, Evgenya; Reid, I. Neill; Cruz, Kelle L.; Vacca, W. D.

    2009-05-20

    We report the discovery of a young, 0.''16 binary, 2M2234+4041AB, found as the result of a Keck laser guide star adaptive optics imaging survey of young field ultracool dwarfs. Spatially resolved near-infrared photometry and spectroscopy indicate that the luminosity and temperature ratios of the system are near unity. From optical and near-infrared spectroscopy, we determine a composite spectral type of M6 for the system. Gravity-sensitive spectral features in the spectra of 2M2234+4041AB are best matched to those of young objects ({approx}1 Myr old). A comparison of the T {sub eff} and age of 2M2234+4041AB to evolutionary models indicates that the mass of each component is 0.10{sup +0.075} {sub -0.04} M {sub sun}. Emission lines of H{alpha} in the composite optical spectrum of the system and Br{gamma} in spatially resolved near-IR spectra of the two components indicate that the system is actively accreting. Both components of the system have IR excesses, indicating that they both harbor circumstellar disks. Though 2M2234+4041AB was originally identified as a young field dwarf, it lies 1.'5 from the well-studied Herbig Ae/Be star, LkH{alpha}233. The distance to LkH{alpha}233 is typically assumed to be 880 pc. It is unlikely that 2M2234+4041AB could be this distant, as it would then be more luminous than any known Taurus objects of similar spectral type. We re-evaluate the distance to the LkH{alpha}233 group and find a value of 325{sup +72} {sub -50} pc, based on the Hipparcos distance to a nearby B3-type group member (HD 213976). 2M2234+4041AB is the first low-mass star to be potentially associated with the LkH{alpha}233 group. At a distance of 325 pc, its projected physical separation is 51 AU, making it one of the growing number of wide, low-mass binaries found in young star-forming regions.

  2. Ab-initio study of hydrogen doping and oxygen vacancy at anatase TiO{sub 2} surface

    SciTech Connect (OSTI)

    Sotoudeh, M.; Mohammadizadeh, M. R.; Hashemifar, S. J.; Abbasnejad, M.

    2014-02-15

    Density functionalpseudopotential calculations were performed to study the effects of hydrogen doping and oxygen vacancy, both individually and together, on the electronic structure and stability of (001) surface of TiO{sub 2} in the anatase phase. Based on our calculations, O/Ti termination is the most stable one, and it appears that p-states of deep and surface O atoms and d-orbitals of surface Ti atoms have roles in the valence band and, the conduction band comes from the d-orbitals of deep Ti atoms. Although, no considerable change was seen during H doping, a mid-gap state appeared below the conduction band in the O vacancy configuration. In the framework of ab-initio atomistic thermodynamics, we argue that the anatase TiO{sub 2} prefers a defected O layer termination in the [001] direction. The obtained electronic structures indicate that H doping in the bulk creates the empty mid-gap state below the conduction band and hence decreases the band gap of the system. This phenomenon may explain the enhanced photocatalytic activity of the anatase TiO{sub 2} (001) surface after hydrogenation.

  3. Accurate static and dynamic properties of liquid electrolytes for Li-ion batteries from ab initio molecular dynamics

    SciTech Connect (OSTI)

    Ganesh, P.; Jiang, D.; Kent, P.R.C.

    2011-03-31

    Lithium-ion batteries have the potential to revolutionize the transportation industry, as they did for wireless communication. A judicious choice of the liquid electrolytes used in these systems is required to achieve a good balance among high-energy storage, long cycle life and stability, and fast charging. Ethylene-carbonate (EC) and propylene-carbonate (PC) are popular electrolytes. However, to date, almost all molecular-dynamics simulations of these fluids rely on classical force fields, while a complete description of the functionality of Li-ion batteries will eventually require quantum mechanics. We perform accurate ab initio molecular-dynamics simulations of ethylene- and propylene-carbonate with LiPF6 at experimental concentrations to build solvation models which explain available neutron scattering and nuclear magnetic resonance (NMR) results and to compute Li-ion solvation energies and diffusion constants. Our results suggest some similarities between the two liquids as well as some important differences. Simulations also provide useful insights into formation of solid-electrolyte interphases in the presence of electrodes in conventional Li-ion batteries.

  4. Accurate static and dynamic properties of liquid-electrolytes for Li-ion batteries from ab initio molecular dynamics

    SciTech Connect (OSTI)

    Ganesh, Panchapakesan; Jiang, Deen; Kent, Paul R

    2011-01-01

    Lithium-ion batteries have the potential to revolutionize the transportation industry, as they did for wireless communication. A judicious choice of the liquid electrolytes used in these systems is required to achieve a good balance among high-energy storage, long cycle life and stability, and fast charging. Ethylene-carbonate (EC) and propylene-carbonate (PC) are popular electrolytes. However, to date, almost all molecular-dynamics simulations of these fluids rely on classical force fields, while a complete description of the functionality of Li-ion batteries will eventually require quantum mechanics. We perform accurate ab initio molecular-dynamics simulations of ethylene- and propylene-carbonate with LiPF6 at experimental concentrations to build solvation models which explain available neutron scattering and nuclear magnetic resonance (NMR) results and to compute Li-ion solvation energies and diffusion constants. Our results suggest some similarities between the two liquids as well as some important differences. Simulations also provide useful insights into formation of solid-electrolyte interphases in the presence of electrodes in conventional Li-ion batteries.

  5. Ab Initio and Kinetic Rate Theory Modeling of 316SS with Oversized Solute Additions on Radiation-Induced Segregation

    SciTech Connect (OSTI)

    Hackett, Micah J.; Was, Gary S.

    2008-07-01

    Deleterious effects of radiation in nuclear reactor systems cause material degradation and the potential for component failure. Radiation damage is fundamentally due to freely migrating point defects produced in collision cascades. A reduction in the freely migrating point defect population should, then, reduce radiation damage and increase component lifetime. The addition of oversized solute atoms such as Zr or Hf to 316SS, a common structural material in reactors, is expected to reduce point defect population through a trapping mechanism that enhances recombination. The mechanism, however, requires a strong binding energy between the oversized solute atom and vacancies in order for the mechanism to significantly reduce the defect population. Experimental measurements of this binding energy are unavailable, but can be determined with atomistic calculations. Ab initio methods are used here to determine binding energies and atomic volumes of either Hf or Zr oversized solutes with vacancies in a face-centered cubic Fe matrix. The binding energies are then used to parameterize a kinetic rate-theory model, which is used here to calculate radiation-induced segregation (RIS). The calculated values of RIS are then compared to experimental measurements to benchmark the calculations and offer insight into the proposed point defect trapping mechanism. (author)

  6. Dissociative chemisorption of methane on metal surfaces: Tests of dynamical assumptions using quantum models and ab initio molecular dynamics

    SciTech Connect (OSTI)

    Jackson, Bret; Nattino, Francesco; Kroes, Geert-Jan

    2014-08-07

    The dissociative chemisorption of methane on metal surfaces is of great practical and fundamental importance. Not only is it the rate-limiting step in the steam reforming of natural gas, the reaction exhibits interesting mode-selective behavior and a strong dependence on the temperature of the metal. We present a quantum model for this reaction on Ni(100) and Ni(111) surfaces based on the reaction path Hamiltonian. The dissociative sticking probabilities computed using this model agree well with available experimental data with regard to variation with incident energy, substrate temperature, and the vibrational state of the incident molecule. We significantly expand the vibrational basis set relative to earlier studies, which allows reaction probabilities to be calculated for doubly excited initial vibrational states, though it does not lead to appreciable changes in the reaction probabilities for singly excited initial states. Sudden models used to treat the center of mass motion parallel to the surface are compared with results from ab initio molecular dynamics and found to be reasonable. Similar comparisons for molecular rotation suggest that our rotationally adiabatic model is incorrect, and that sudden behavior is closer to reality. Such a model is proposed and tested. A model for predicting mode-selective behavior is tested, with mixed results, though we find it is consistent with experimental studies of normal vs. total (kinetic) energy scaling. Models for energy transfer into lattice vibrations are also examined.

  7. Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-Azomethane

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

    Gaenko, Alexander; DeFusco, Albert; Varganov, Sergey A.; Martínez, Todd J.; Gordon, Mark S.

    2014-10-20

    This work presents a nonadiabatic molecular dynamics study of the nonradiative decay of photoexcited trans-azomethane, using the ab initio multiple spawning (AIMS) program that has been interfaced with the General Atomic and Molecular Electronic Structure System (GAMESS) quantum chemistry package for on-the-fly electronic structure evaluation. The interface strategy is discussed, and the capabilities of the combined programs are demonstrated with a nonadiabatic molecular dynamics study of the nonradiative decay of photoexcited trans-azomethane. Energies, gradients, and nonadiabatic coupling matrix elements were obtained with the state-averaged complete active space self-consistent field method, as implemented in GAMESS. The influence of initial vibrational excitationmore » on the outcome of the photoinduced isomerization is explored. Increased vibrational excitation in the CNNC torsional mode shortens the excited state lifetime. Depending on the degree of vibrational excitation, the excited state lifetime varies from ~60–200 fs. As a result, these short lifetimes are in agreement with time-resolved photoionization mass spectroscopy experiments.« less

  8. Thermal decomposition of 1,3,3-trinitroazetidine (TNAZ): A density functional theory and ab initio study

    SciTech Connect (OSTI)

    Veals, Jeffrey D.; Thompson, Donald L.

    2014-04-21

    Density functional theory and ab initio methods are employed to investigate decomposition pathways of 1,3,3-trinitroazetidine initiated by unimolecular loss of NO{sub 2} or HONO. Geometry optimizations are performed using M06/cc-pVTZ and coupled-cluster (CC) theory with single, double, and perturbative triple excitations, CCSD(T), is used to calculate accurate single-point energies for those geometries. The CCSD(T)/cc-pVTZ energies for NO{sub 2} elimination by NN and CN bond fission are, including zero-point energy (ZPE) corrections, 43.21 kcal/mol and 50.46 kcal/mol, respectively. The decomposition initiated by trans-HONO elimination can occur by a concerted H-atom and nitramine NO{sub 2} group elimination or by a concerted H-atom and nitroalkyl NO{sub 2} group elimination via barriers (at the CCSD(T)/cc-pVTZ level with ZPE corrections) of 47.00 kcal/mol and 48.27 kcal/mol, respectively. Thus, at the CCSD(T)/cc-pVTZ level, the ordering of these four decomposition steps from energetically most favored to least favored is: NO{sub 2} elimination by NN bond fission, HONO elimination involving the nitramine NO{sub 2} group, HONO elimination involving a nitroalkyl NO{sub 2} group, and finally NO{sub 2} elimination by CN bond fission.

  9. Temperature dependent DC electrical conductivity studies of ZnO nanoparticle thick films prepared by simple solution combustion method

    SciTech Connect (OSTI)

    Naveen, C. S. Jayanna, H. S. Lamani, Ashok R. Rajeeva, M. P.

    2014-04-24

    ZnO nanoparticles of different size were prepared by varying the molar ratio of glycine and zinc nitrate hexahydrate as fuel and oxidizer (F/O = 0.8, 1.11, 1.7) by simple solution combustion method. Powder samples were characterized by UV-Visible spectrophotometer, X-ray diffractometer, Scanning electron microscope (SEM). DC electrical conductivity measurements at room temperature and in the temperature range of 313-673K were carried out for the prepared thick films and it was found to increase with increase of temperature which confirms the semiconducting nature of the samples. Activation energies were calculated and it was found that, F/O molar ratio 1.7 has low E{sub AL} (Low temperature activation energy) and high E{sub AH} (High temperature activation energy) compared to other samples.

  10. Study of the effect of plasma-striking atmosphere on Fe-oxidation in thermal dc arc-plasma processing

    SciTech Connect (OSTI)

    Banerjee, I.; Khollam, Y. B.; Mahapatra, S. K.; Das, A. K.; Bhoraskar, S. V.

    2010-11-15

    The effect of plasma-striking atmosphere: air and air+Ar-gas on the crystallization of Fe-oxide phases was studied using dc thermal arc-plasma processing route. The powders were characterized by x-ray diffraction, vibrating sample magnetometry, transmission electron microscopy, and Moessbauer spectroscopy techniques. At room temperature and O{sub 2} rich atmosphere, arc-evaporated Fe{sup 2+} ions oxidize into either {gamma}-Fe{sub 2}O{sub 3} or Fe{sub 3}O{sub 4} depending upon the combining ratio of Fe with molecular O{sub 2}. Fe/O ratio could be adjusted using proper flow rate of Ar gas to crystallize the pure {gamma}-Fe{sub 2}O{sub 3}.

  11. Effect of magnetic field strength on deposition rate and energy flux in a dc magnetron sputtering system

    SciTech Connect (OSTI)

    Ekpe, Samuel D.; Jimenez, Francisco J.; Field, David J.; Davis, Martin J.; Dew, Steven K.

    2009-11-15

    Variations in the magnetic field strongly affect the plasma parameters in a magnetron sputtering system. This in turn affects the throughput as well as the energy flux to the substrate. The variation in the magnetic field in this study, for a dc magnetron process, is achieved by shifting the magnet assembly slightly away from the target. Measurements of the plasma parameters show that while the electron density at the substrate increases with decrease in magnetic field, the electron temperature decreases. The cooling of the electron temperature is consistent with results reported elsewhere. The deposition rate per input magnetron power is found to increase slightly with the decrease in magnetic field for the process conditions considered in this study. Results suggest that the energy flux to the substrate tends to show a general decrease with the shift in the magnet assembly.

  12. Reducing Our Carbon Footprint: A Low-Energy House in Berkeley, Kabul, and Washington DC (LBNL Science at the Theater)

    ScienceCinema (OSTI)

    Diamond, Rick

    2011-04-28

    How well can we assess and improve building energy performance in California homes? How much energy-and carbon-do homes use in other parts of the world? Rick Diamond, deputy group leader of the Berkeley Lab Energy Performance of Buildings Group, discusses change, global solutions, and the stories of three houses in Berkeley, Kabul (Afghanistan), and Washington, D.C. Diamond, who is also a senior advisor at the California Institute for Energy and Environment, investigates user interactions with the built environment for improved building energy performance. The group has studied a wide range of issues related to energy use in housing, including duct system efficiency, user behavior, and infiltration and ventilation measurements.

  13. Low-altitude remote sensing dataset of DEM and RGB mosaic for AB corridor on July 13 2013 and L2 corridor on July 21 2013

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

    Baptiste Dafflon

    2015-04-07

    Low-altitude remote sensing dataset including DEM and RGB mosaic for AB (July 13 2013) and L2 corridor (July 21 2013).Processing flowchart for each corridor:Ground control points (GCP, 20.3 cm square white targets, every 20 m) surveyed with RTK GPS. Acquisition of RGB pictures using a Kite-based platform. Structure from Motion based reconstruction using hundreds of pictures and GCP coordinates. Export of DEM and RGB mosaic in geotiff format (NAD 83, 2012 geoid, UTM zone 4 north) with pixel resolution of about 2 cm, and x,y,z accuracy in centimeter range (less than 10 cm). High-accuracy and high-resolution inside GCPs zone for L2 corridor (500x20m), AB corridor (500x40) DEM will be updated once all GCPs will be measured. Only zones between GCPs are accurate although all the mosaic is provided.

  14. Surface structure of CdSe Nanorods revealed by combined X-rayabsorption fine structure measurements and ab-initio calculations

    SciTech Connect (OSTI)

    Aruguete, Deborah A.; Marcus, Matthew A.; Li, Liang-shi; Williamson, Andrew; Fakra, Sirine; Gygi, Francois; Galli, Giulia; Alivisatos, A. Paul

    2006-01-27

    We report orientation-specific, surface-sensitive structural characterization of colloidal CdSe nanorods with extended X-ray absorption fine structure spectroscopy and ab-initio density functional theory calculations. Our measurements of crystallographically-aligned CdSe nanorods show that they have reconstructed Cd-rich surfaces. They exhibit orientation-dependent changes in interatomic distances which are qualitatively reproduced by our calculations. These calculations reveal that the measured interatomic distance anisotropy originates from the nanorod surface.

  15. Straight and chopped dc performance data for a General Electric 5BT 2366C10 motor and an EV-1 controller. Final report

    SciTech Connect (OSTI)

    Edie, P.C.

    1981-01-01

    This report is intended to supply the electric vehicle manufacturer with performance data on the General Electric 5BT 2366C10 series wound dc motor and EV-1 chopper controller. Data are provided for both straight and chopped dc input to the motor, at 2 motor temperature levels. Testing was done at 6 voltage increments to the motor, and 2 voltage increments to the controller. Data results are presented in both tabular and graphical forms. Tabular information includes motor voltage and current input data, motor speed and torque output data, power data and temperature data. Graphical information includes torque-speed, motor power output-speed, torque-current, and efficiency-speed plots under the various operating conditions. The data resulting from this testing shows the speed-torque plots to have the most variance with operating temperature. The maximum motor efficiency is between 86% and 87%, regardless of temperature or mode of operation. When the chopper is utilized, maximum motor efficiency occurs when the chopper duty cycle approaches 100%. At low duty cycles the motor efficiency may be considerably less than the efficiency for straight dc. Chopper efficiency may be assummed to be 95% under all operating conditions. For equal speeds at a given voltage level, the motor operated in the chopped mode develops slightly more torque than it does in the straight dc mode. System block diagrams are included, along with test setup and procedure information.

  16. Use of Management and Operating or Other Facility Management Contractor Employees for Services to DOE in the Washington, D.C. Area

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

    2011-05-31

    To establish policies and procedures for management of Department of Energy (DOE), including National Nuclear Security Administration (NNSA), management and operating (M&O) and other facility management contractor employees assigned to the Washington, D.C. area. Supersedes DOE O 350.2A

  17. Supplemental Requirements for the Use of Management and Operating or Other Facility Management Contractor Employees for Services to DOE in the Washington, D.C., Area

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

    2005-10-19

    The Notice supplements review and approval requirements of DOE O 350.2A, Use of Management and Operating (M&O) or Other Facility Management Contractor Employees for Services to DOE in the Washington, D.C., Area, dated 10-29-03.

  18. Photoelectron Spectroscopy and Ab Initio Study of the Structure and Bonding in A17N- and A17N

    SciTech Connect (OSTI)

    Averkiev, Boris B.; Call, Seth; Boldyrev, Alexander I.; Wang, Leiming; Huang, Wei; Wang, Lai S.

    2008-03-06

    The electronic and geometrical structures of Al7N– are investigated using photoelectron spectroscopy and ab initio calculations. Photoelectron spectra of Al7N– have been obtained at three photon energies with seven resolved spectral features at 193 nm. The spectral features of Al7N– are relatively broad, in particular for the ground state transition, indicating a large geometrical change from the ground state of Al7N– to that of Al7N. The ground state vertical detachment energy is measured to be 2.71 eV, whereas only an upper limit of ~1.9 eV can be estimated for the ground state adiabatic detachment energy due to the broad detachment band. Global minimum searches for A7N– and Al7N are performed using several theoretical methods. Vertical electron detachment energies are calculated using three different methods for the lowest energy structure and compared with the experimental data. Excellent agreement is observed between the calculated results and the experimental data. The global minimum structure of Al7N– is found to possess C3v symmetry, which can be viewed as an Al atom capping a face of a N-centered Al6N octahedron. However, in the ground state of Al7N the capping Al atom pushes in to form a bond with the central N atom, significantly expanding the three neighboring Al atoms. Thus, even though Al7N still possesses C3v symmetry, it is better viewed as a N coordinated by seven Al atoms in a cage-like structure. The chemical bonding in Al7N– is discussed on the basis of molecular orbital and natural bond analyses.

  19. AXISYMMETRIC AB INITIO CORE-COLLAPSE SUPERNOVA SIMULATIONS OF 12-25 M{sub Sun} STARS

    SciTech Connect (OSTI)

    Bruenn, Stephen W.; Yakunin, Konstantin N.; Mezzacappa, Anthony; Hix, W. Raphael; Lingerfelt, Eric J.; Lentz, Eric J.; Messer, O. E. Bronson; Blondin, John M.; Endeve, Eirik; Marronetti, Pedro

    2013-04-10

    We present an overview of four ab initio axisymmetric core-collapse supernova simulations employing detailed spectral neutrino transport computed with our CHIMERA code and initiated from Woosley and Heger progenitors of mass 12, 15, 20, and 25 M{sub Sun }. All four models exhibit shock revival over {approx}200 ms (leading to the possibility of explosion), driven by neutrino energy deposition. Hydrodynamic instabilities that impart substantial asymmetries to the shock aid these revivals, with convection appearing first in the 12 M{sub Sun} model and the standing accretion shock instability appearing first in the 25 M{sub Sun} model. Three of the models have developed pronounced prolate morphologies (the 20 M{sub Sun} model has remained approximately spherical). By 500 ms after bounce the mean shock radii in all four models exceed 3000 km and the diagnostic explosion energies are 0.33, 0.66, 0.65, and 0.70 Bethe (B = 10{sup 51} erg) for the 12, 15, 20, and 25 M{sub Sun} models, respectively, and are increasing. The three least massive of our models are already sufficiently energetic to completely unbind the envelopes of their progenitors (i.e., to explode), as evidenced by our best estimate of their explosion energies, which first become positive at 320, 380, and 440 ms after bounce. By 850 ms the 12 M{sub Sun} diagnostic explosion energy has saturated at 0.38 B, and our estimate for the final kinetic energy of the ejecta is {approx}0.3 B, which is comparable to observations for lower mass progenitors.

  20. Ab initio study of the linear and nonlinear optical properties of chalcopyrite CdGeAs{sub 2}

    SciTech Connect (OSTI)

    Yu You; Zhao Beijun; Zhu Shifu; Gao Tao; Hou Haijun; He Zhiyu

    2012-01-15

    We present an ab initio theoretical study of the electronic, linear and nonlinear optical properties of CdGeAs{sub 2} using a pseudopotential plane-wave method. Specifically, we evaluate the band structure, density of states, charge density, the dielectric function {epsilon}({omega}) and the second harmonic generation response susceptibility {chi}{sub 312}{sup (2)}(-2{omega};{omega},{omega}) over a large frequency range. As LDA underestimates the band gap, we have applied the GW approximation method to calculate the quasiparticle band structure and obtain an energy band gap in agreement with experiment. In this case the opening of the gap due to the GW correction can be used as scissor shift to calculate the linear and nonlinear optical properties. The intra- and inter-band contributions to the imaginary part of {chi}{sub 312}{sup (2)}(-2{omega};{omega},{omega}) are presented over a broad energy range. It is found that the small energy gap semiconductor CdGeAs{sub 2} has larger values of {epsilon}{sub 1}(0) and {chi}{sub 312}{sup (2)}(0) than other chalcopyrite structures. - Graphical abstract: Calculated total imaginary part of {chi}{sub 312}{sup (2)}(-2{omega};{omega},{omega}) spectra along with the intra-(2{omega})/(1{omega}) and inter-(2{omega})/(1{omega}) band contributions. Highlights: Black-Right-Pointing-Pointer We find that the charge density around the cation Cd of CdGeAs{sub 2} is spherical. Black-Right-Pointing-Pointer We do not have to rely on experimental gap to determine the self-energy. Black-Right-Pointing-Pointer It is the first time we have calculated the SHG susceptibility using pseudopotential plane-wave. Black-Right-Pointing-Pointer The SHG susceptibility beyond zero frequency was calculated.

  1. The development of explosions in axisymmetric ab initio core-collapse supernova simulations of 12–25 M⊙ stars

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

    Bruenn, Stephen W.; Lentz, Eric J.; Hix, William Raphael; Mezzacappa, Anthony; Harris, James Austin; Messer, O. E. Bronson; Endeve, Eirik; Blondin, John M.; Chertkow, Merek Austin; Lingerfelt, Eric J.; et al

    2016-02-16

    We present four ab initio axisymmetric core-collapse supernova simulations initiated from 12, 15, 20, and 25 M⊙ zero-age main sequence progenitors. All of the simulations yield explosions and have been evolved for at least 1.2 s after core bounce and 1 s after material first becomes unbound. These simulations were computed with our Chimera code employing RbR spectral neutrino transport, special and general relativistic transport effects, and state-of-the-art neutrino interactions. Continuing the evolution beyond 1 s after core bounce allows the explosions to develop more fully and the processes involved in powering the explosions to become more clearly evident. Wemore » compute explosion energy estimates, including the negative gravitational binding energy of the stellar envelope outside the expanding shock, of 0.34, 0.88, 0.38, and 0.70 Bethe (B ≡ 1051 erg) and increasing at 0.03, 0.15, 0.19, and 0.52 BS–1, respectively, for the 12, 15, 20, and 25 M⊙ models at the endpoint of this report. We examine the growth of the explosion energy in our models through detailed analyses of the energy sources and flows. We discuss how the explosion energies may be subject to stochastic variations as exemplfied by the effect of the explosion geometry of the 20 M⊙ model in reducing its explosion energy. We compute the proto-neutron star masses and kick velocities. In conclusion, we compare our results for the explosion energies and ejected 56Ni masses against some observational standards despite the large error bars in both models and observations.« less

  2. abs.published.pdf

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

  3. abs.submitted.pdf

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

  4. oganesian1_ab

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

    SUPER H EAVY E LEMENTS Academician P rofessor Y uri O ganessian JJINR, D ubna, R ussian F ederationCyclotron I nstitute, T AMU Summary A s eries o f 5 l ectures i s d evoted t o o...

  5. abs_tamu.dvi

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

    The thermal evolution of some thermodynamic properties of the nuclear surface like its thermody- namic potential energy, entropy and the symmetry free energy are examined for both ...

  6. Visible light-induced photocatalytic properties of WO{sub 3} films deposited by dc reactive magnetron sputtering

    SciTech Connect (OSTI)

    Imai, Masahiro; Kikuchi, Maiko; Oka, Nobuto; Shigesato, Yuzo

    2012-05-15

    The authors examined the photocatalytic activity of WO{sub 3} films (thickness 500-600 nm) deposited on a fused quartz substrate heated at 350-800 deg. C by dc reactive magnetron sputtering using a W metal target under the O{sub 2} gas pressure from 1.0 to 5.0 Pa. Films deposited at 800 deg. C under 5.0 Pa have excellent crystallinity of triclinic, P1(1) structure and a large surface area, as confirmed by x-ray diffraction, scanning electron microscopy, and atomic force microscopy. Exposure of acetaldehyde (CH{sub 3}CHO) adsorbed onto the film surface to ultraviolet, visible, or standard fluorescence light induces oxidative photocatalytic decomposition indicated by a decrease in CH{sub 3}CHO concentration and generation of CO{sub 2} gas. For all three types of irradiation, concentration ratio of decreased CH{sub 3}CHO to increased CO{sub 2} is about 1:1, suggesting the possible presence of intermediates. The sputter-deposited WO{sub 3} film can be a good candidate as a visible light-responsive photocatalyst.

  7. Report of a workshop on nuclear forces and nonproliferation Woodrow Wilson international center for scholars, Washington, DC October 28, 2010

    SciTech Connect (OSTI)

    Pilat, Joseph F

    2010-12-08

    A workshop sponsored by the Los Alamos National Laboratory in cooperation with the Woodrow Wilson International Center for Scholars was held at the Wilson Center in Washington, DC, on October 28, 2010. The workshop addressed evolving nuclear forces and their impacts on nonproliferation in the context of the new strategic environment, the Obama Administration's Nuclear Posture Review and the 2010 NPT Review Conference. The discussions reflected the importance of the NPR for defining the role of US nuclear forces in dealing with 21st century threats and providing guidance for National Nuclear Security Administration (NNSA) and Department of Defense (DoD) programs and, for many but not all participants, highlighted its role in the successful outcome of the NPT RevCon. There was widespread support for the NPR and its role in developing the foundations for a sustainable nuclear-weapon program that addresses nuclear weapons, infrastructure and expertise in the broader nonproliferation, disarmament and international security contexts. However, some participants raised concerns about its implementation and its long-term effectiveness and sustainability.

  8. Solar Decathlon Visitors Guide 2011, National Mall, West Potomac Park, Washington, D.C., September 23 - October 2, 2011 (Brochure)

    SciTech Connect (OSTI)

    Not Available

    2011-09-01

    Guide to the student-designed houses, ten contests, exhibits, and workshops of the U.S. Department of Energy 2011 Solar Decathlon, held in Washington, D.C., from September 23 through October 2, 2011. Teams of college students designed and built the solar-powered houses on display here. They represent 13 U.S. states, five countries, and four continents. Now the teams are rising to the challenge by competing in 10 contests over nine days, with the championship trophy on the line. This is their time to shine. The 2011 teams may share a common goal - to design and build the best energy-efficient house powered by the sun - but their strategies are different. One house is made of precast concrete, while another 'dances' in response to its environment. Another house is meant to sit atop a building, proving the sky's the limit for energy innovation. Whatever your idea of sustainable living may be, you are bound to find it at the Solar Decathlon.

  9. In-111 chelate conjugates of human transferrin (HTr) and mouse monoclonal anti human transferrin receptor antibody (. cap alpha. HTrR MoAb) for tumor imaging

    SciTech Connect (OSTI)

    Goodwin, D.A.; Meares, C.F.; Diamanti, C.I.; McCall, M.; McTigue, M.; Torti, F.; Martin, B.

    1984-01-01

    At least one of the major pathways of uptake of the commonly used tumor scanning agent Ga-67 is via the transferrin receptor. This suggested the use of stably radio-labeled HTr, and ..cap alpha..HTrR MoAb for tumor imaging in humans. HTr and mouse ..cap alpha..HTrR MoAb were alkylated with 1-(parabromacetamidobenzyl)-EDTA. The mM Alkylproteins, approx. =1 chelate/molecule were labeled with 1-3 mCi In-111 citrate pH/sub 5/ (Sp Act approx. = 100-300 Ci/m mole). Images were made 24 hours after 1 mCi IV and in some patients blood levels, urine excretion and digitized whole body scans were obtained at 1, 24,48 and 96 hours post injection. Ten patients with biopsy proven prostate cancer were studied with In-111 HTr, and four with In-111 ..cap alpha.. HTrR MoAb; all had positive mets on bone scan. In-111 HTr persisted in the circulation with a T1/2 of approx. = four days, approx. = 5%/day being excreted in the urine, to a total of approx. = 60% in 21 days. Nine of ten scans were false negative due to the high blood background. In-111 ..cap alpha..HTrR disappeared rapidly from the blood; with most in the bone marrow at 24 hours. ROI analysis of three patients showed whole body 94% at 24 hours, 89% at 48 hours, and 82% at 96 hours (T1/2 = 10.7 days); liver 19% at 1 hour, 25% at 24 hours, and 21% at 96 hours; spleen 3% at 1 hour, 8% at 24 hours, 7.3% at 48 hours, and 3% at 96 hours. The high bone marrow background allowed only a few of the bone mets seen as bone scan to be visualized. Other tumor types not located in bone may be more easily seen.

  10. U.S. Department of Energy Hydrogen and Fuel Cells Program 2014 Annual Merit Review and Peer Evaluation Report: June 16-20, 2014, Washington, D.C.

    SciTech Connect (OSTI)

    Not Available

    2014-10-01

    The fiscal year (FY) 2014 U.S. Department of Energy (DOE) Hydrogen and Fuel Cells Program Annual Merit Review and Peer Evaluation Meeting (AMR), in conjunction with DOE's Vehicle Technologies Office AMR, was held from June 16-20, 2014, at the Washington Marriott Wardman Park in Washington, D.C. This report is a summary of comments by AMR peer reviewers about the hydrogen and fuel cell projects funded by DOE's Office of Energy Efficiency and Renewable Energy (EERE).

  11. Positive field-cooled dc susceptibility in granular superconductors interpreted through numerical simulations on a simple Josephson-junction-array model

    SciTech Connect (OSTI)

    Auletta, C.; Raiconi, G.; De Luca, R.; Pace, S.

    1995-05-01

    We have performed numerical simulations of a field-cooled dc susceptibility experiment carried out for granular superconductors by modeling these systems with a simple Josephson-junction array proposed by the authors. By this analysis the temperature dependence of the positive field-cooled susceptibility at very low values of the applied magnetic field, observed by Braunisch {ital et} {ital al}. [Phys. Rev. Lett. 68, 1908 (1992)] for some ceramic superonductors, has been reproduced and interpreted.

  12. Ab Initio Many-Body Calculations of the 3H(d, n)4He and 3He(d, p)4He Fusion

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Many-Body Calculations of the 3H(d, n)4He and 3He(d, p)4He Fusion Citation Details In-Document Search Title: Ab Initio Many-Body Calculations of the 3H(d, n)4He and 3He(d, p)4He Fusion Authors: Navratil, P ; Quaglioni, S Publication Date: 2011-09-22 OSTI Identifier: 1248285 Report Number(s): LLNL-JRNL-501012 DOE Contract Number: AC52-07NA27344 Resource Type: Journal Article Resource Relation: Journal Name: Physical Review Letters, vol. 108, na, January 24,

  13. Full-dimensional quantum calculations of vibrational levels of NH4+ and isotopomers on an accurate ab initio potential energy surface

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

    Hua -Gen Yu; Han, Huixian; Guo, Hua

    2016-03-29

    Vibrational energy levels of the ammonium cation (NH4+) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH4+ and ND4+ exhibit a polyad structure, characterized by a collective quantum number P = 2(v1 + v3) + v2 + v4. As a result, the low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data is better than 1 cm–1.

  14. Ab initio quasi-particle approximation bandgaps of silicon nanowires calculated at density functional theory/local density approximation computational effort

    SciTech Connect (OSTI)

    Ribeiro, M.

    2015-06-21

    Ab initio calculations of hydrogen-passivated Si nanowires were performed using density functional theory within LDA-1/2, to account for the excited states properties. A range of diameters was calculated to draw conclusions about the ability of the method to correctly describe the main trends of bandgap, quantum confinement, and self-energy corrections versus the diameter of the nanowire. Bandgaps are predicted with excellent accuracy if compared with other theoretical results like GW, and with the experiment as well, but with a low computational cost.

  15. Modeling magnetic fields from a DC power cable buried beneath San Francisco Bay based on empirical measurements

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

    Kavet, Robert; Wyman, Megan T.; Klimley, A. Peter; Carretero, Luis

    2016-02-25

    Here, the Trans Bay Cable (TBC) is a ±200-kilovolt (kV), 400 MW 85-km long High Voltage Direct Current (DC) buried transmission line linking Pittsburg, CA with San Francisco, CA (SF) beneath the San Francisco Estuary. The TBC runs parallel to the migratory route of various marine species, including green sturgeon, Chinook salmon, and steelhead trout. In July and August 2014, an extensive series of magnetic field measurements were taken using a pair of submerged Geometrics magnetometers towed behind a survey vessel in four locations in the San Francisco estuary along profiles that cross the cable’s path; these included the Sanmore » Francisco-Oakland Bay Bridge (BB), the Richmond-San Rafael Bridge (RSR), the Benicia- Martinez Bridge (Ben) and an area in San Pablo Bay (SP) in which a bridge is not present. In this paper, we apply basic formulas that ideally describe the magnetic field from a DC cable summed vectorially with the background geomagnetic field (in the absence of other sources that would perturb the ambient field) to derive characteristics of the cable that are otherwise not immediately observable. Magnetic field profiles from measurements taken along 170 survey lines were inspected visually for evidence of a distinct pattern representing the presence of the cable. Many profiles were dominated by field distortions unrelated to the cable caused by bridge structures or other submerged objects, and the cable’s contribution to the field was not detectable. BB, with 40 of the survey lines, did not yield usable data for these reasons. The unrelated anomalies could be up to 100 times greater than those from the cable. In total, discernible magnetic field profiles measured from 76 survey lines were regressed against the equations, representing eight days of measurement. The modeled field anomalies due to the cable (the difference between the maximum and minimum field along the survey line at the cable crossing) were virtually identical to the measured values. The modeling yielded a pooled cable depth below the bay floor of 2.06 m (±1.46 std dev), and estimated the angle to the horizontal of the imaginary line connecting the crosssectional center of the cable’s two conductors (0.1143 m apart) as 178.9° ±61.9° (std dev) for Ben, 78.6°±37.0° (std dev) for RSR, and 139.9°±27.4° (std dev) for SP. The mean of the eight daily average currents derived from the regressions was 986 ±185 amperes (A) (std dev), as compared to 722 ±95 A (std dev) provided by Trans Bay Cable LLC. Overall, the regressions based on fundamental principles (Biot Savart law) and the vectorial summation of cable and geomagnetic fields provide estimates of cable characteristics consistent with plausible expectations.« less

  16. Sharp transition between two regimes of operation of dc discharge with two anodes and thermionic emission from cathode

    SciTech Connect (OSTI)

    Mustafaev, A. S.; Grabovskiy, A.; Demidov, V. I.; St. Petersburg State University, St. Petersburg 199034; University ITMO, Kronverkskiy pr. 49, St. Petersburg 197101 ; Kaganovich, I. D.; Koepke, M. E.

    2014-05-15

    In a dc discharge plasma with two anodes and thermionic emission from cathode, the two anodes are used for plasma control. The main anode is placed between the cathode and the other auxiliary anode has a circular opening for passing electron current from the cathode to the second anode. It is experimentally demonstrated that a plasma may exhibit a sudden transition between two quasi-stable conditions as one increases the cathode-electron current collected by the auxiliary anode through an aperture, i.e., hole, in the main anode. In one regime, a bright glowing “ball-shaped double layer” appears on the plasma side having a potential drop of 10–15 eV and concomitant ionization in the neighboring region attached to the opening. The second regime is characterized by a uniform potential profile in plasma and an absence of the ball-shaped double layer. The transition between these regimes is accompanied by a significant change in plasma properties, such as the electron energy distribution function (EEDF). Controlling the EEDF is a valuable capability in technological applications. Increasing the gas pressure leads to the elimination of the first regime for sufficiently high gas pressure, the threshold being a few Torr. The disappearance of a regime transition can be explained by invoking an EEDF transition, from being nonlocal at low pressure to becoming local at high pressure. Local EEDF is determined by local values of electric field. Nonlocal EEDF is determined by electric field values elsewhere, and the electron can travel without energy loss over a path much longer than the discharge dimension.

  17. CHEMICAL AND PHYSICAL CONDITIONS IN MOLECULAR CLOUD CORE DC 000.4-19.5 (SL42) IN CORONA AUSTRALIS

    SciTech Connect (OSTI)

    Hardegree-Ullman, E.; Whittet, D. C. B.; Harju, J.; Juvela, M.; Sipilae, O.; Hotzel, S.

    2013-01-20

    Chemical reactions in starless molecular clouds are heavily dependent on interactions between gas phase material and solid phase dust and ices. We have observed the abundance and distribution of molecular gases in the cold, starless core DC 000.4-19.5 (SL42) in Corona Australis using data from the Swedish ESO Submillimeter Telescope. We present column density maps determined from measurements of C{sup 18}O (J = 2-1, 1-0) and N{sub 2}H{sup +} (J = 1-0) emission features. Herschel data of the same region allow a direct comparison to the dust component of the cloud core and provide evidence for gas phase depletion of CO at the highest extinctions. The dust color temperature in the core calculated from Herschel maps ranges from roughly 10.7 to 14.0 K. This range agrees with the previous determinations from Infrared Space Observatory and Planck observations. The column density profile of the core can be fitted with a Plummer-like density distribution approaching n(r) {approx} r {sup -2} at large distances. The core structure deviates clearly from a critical Bonnor-Ebert sphere. Instead, the core appears to be gravitationally bound and to lack thermal and turbulent support against the pressure of the surrounding low-density material: it may therefore be in the process of slow contraction. We test two chemical models and find that a steady-state depletion model agrees with the observed C{sup 18}O column density profile and the observed N(C{sup 18}O) versus A{sub V} relationship.

  18. Tobin-DC

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

    Calculated Downwelling Longwave Spectral Radiances at the SHEBA Ice Station: Prelude to an Arctic AERI/LBLRTM QME D. C. Tobin, R. O. Knuteson, and H. E. Revercomb Cooperative Institute for Meteorological Satellite Studies Space, Science, and Engineering Center University of Wisconsin Madison, Wisconsin Introduction We present comparisons of clear-sky observed and calculated downwelling radiances from the year-long Surface Heat Budget of the Arctic Ocean (SHEBA) experiment. These and expected

  19. article_dc

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

    a result of the weather-related increases in the demand for electricity in 2007. Preliminary data show that total ... Reduction in shipments of coke from China of 1.6 million ...

  20. Washington. DC,20585

    Office of Legacy Management (LM)

    you mayihave. ' ,. If you have any ques Dr. Y. Alexander Wil tions, please feel free to call me at 301-903-2531 or liams (301-903UW' of my staff..,, Sincerely, Enclosures...

  1. D.C.

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

    biology, chemistry, earth science, physics, math, trigonometry, and calculus. "These kids are very well-versed in math and science," said Amy Tapia, Community Involvement ...

  2. Washington, DC,20585

    Office of Legacy Management (LM)

    If you have,any questions, please feel free to call me +301-427-1721 or Dr. W. Alexander Williams (301-427-1719) of my staff. I Director ,',, Off-SiteSavannah River Program ...

  3. I ' Washington, DC'

    Office of Legacy Management (LM)

    If'you have any questions, please feel freeto call DrI W. Alexander Uilliams 301-427-1719 of my staff. Sincerely, me at 3011427-172; or 1 Director ; ,, . Off-SiteSavannah River ...

  4. Washington. DC.20585'

    Office of Legacy Management (LM)

    Alexander Williams at 301-427-1719 of my'staff. . . Enclosures' tc: Ames W: Wagoner II" : Director ' Off-SiteSavannah River Program Division Office of,Eastern Area Programs ...

  5. RES D.C.

    Broader source: Energy.gov [DOE]

    The National Center for American Indian Enterprise Development is hosting Reservation Economic Summit (RES), a four-day event that provides Native American businesses and entrepreneurs with the...

  6. RES D.C.

    Broader source: Energy.gov [DOE]

    The National Center for American Indian Enterprise Development is hosting Reservation Economic Summit (RES), a four-day event that provides Native American businesses and entrepreneurs with the tools they need to be successful.

  7. D.C.

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

    Alexander Wang, Micha Ben-Naim, Scott Carlsten, Lorenzo Venneri and Kevin Gao, and Coach, Paolo Venneri. Albuquerque Academy took second place and La Cueva High School in...

  8. Ab initio molecular orbital-configuration interaction based quantum master equation (MOQME) approach to the dynamic first hyperpolarizabilities of asymmetric π-conjugated systems

    SciTech Connect (OSTI)

    Kishi, Ryohei; Fujii, Hiroaki; Minami, Takuya; Shigeta, Yasuteru; Nakano, Masayoshi

    2015-01-22

    In this study, we apply the ab initio molecular orbital - configuration interaction based quantum master equation (MOQME) approach to the calculation and analysis of the dynamic first hyperpolarizabilities (β) of asymmetric π-conjugated molecules. In this approach, we construct the excited state models by the ab initio configuration interaction singles method. Then, time evolutions of system reduced density matrix ρ(t) and system polarization p(t) are calculated by the QME approach. Dynamic β in the second harmonic generation is calculated based on the nonperturbative definition of nonlinear optical susceptibility, using the frequency domain system polarization p(ω). Spatial contributions of electrons to β are analyzed based on the dynamic hyperpolarizability density map, which visualizes the second-order response of charge density oscillating with a frequency of 2ω. We apply the present method to the calculation of the dynamic β of a series of donor/acceptor substituted polyene oligomers, and then discuss the applicability of the MOQME method to the calculation and analysis of dynamic NLO properties of molecular systems.

  9. Ab Initio Calculation of Nuclear Magnetic Resonance Chemical Shift Anisotropy Tensors 1. Influence of Basis Set on the Calculation of 31P Chemical Shifts

    SciTech Connect (OSTI)

    Alam, T.M.

    1998-09-01

    The influence of changes in the contracted Gaussian basis set used for ab initio calculations of nuclear magnetic resonance (NMR) phosphorous chemical shift anisotropy (CSA) tensors was investigated. The isotropic chemical shitl and chemical shift anisotropy were found to converge with increasing complexity of the basis set at the Hartree-Fock @IF) level. The addition of d polarization function on the phosphorous nucIei was found to have a major impact of the calculated chemical shi~ but diminished with increasing number of polarization fimctions. At least 2 d polarization fimctions are required for accurate calculations of the isotropic phosphorous chemical shift. The introduction of density fictional theory (DFT) techniques through tie use of hybrid B3LYP methods for the calculation of the phosphorous chemical shift tensor resulted in a poorer estimation of the NMR values, even though DFT techniques result in improved energy and force constant calculations. The convergence of the W parametem with increasing basis set complexity was also observed for the DFT calculations, but produced results with consistent large deviations from experiment. The use of a HF 6-31 l++G(242p) basis set represents a good compromise between accuracy of the simulation and the complexity of the calculation for future ab initio calculations of 31P NMR parameters in larger complexes.

  10. A Zinc-Finger-Family Transcription Factor, AbVf19, Is Required for the Induction of a Gene Subset Important for Virulence in Alternaria brassicicola

    SciTech Connect (OSTI)

    Srivastava, Akhil; Ohm, Robin A.; Oxiles, Lindsay; Brooks, Fred; Lawrence, Christopher B.; Grigoriev, Igor V.; Cho, Yangrae

    2011-10-26

    Alternaria brassicicola is a successful saprophyte and necrotrophic plant pathogen with a broad host range within the family Brassicaceae. It produces secondary metabolites that marginally affect virulence. Cell wall degrading enzymes (CDWE) have been considered important for pathogenesis but none of them individually have been identified as significant virulence factors in A. brassicicola. In this study, knockout mutants of a gene, AbVf19, were created and produced considerably smaller lesions than the wild type on inoculated host plants. The presence of tandem zinc-finger domains in the predicted amino acid sequence and nuclear localization of AbVf19- reporter protein suggested that it was a transcription factor. Gene expression comparisons using RNA-seq identified 74 genes being downregulated in the mutant during a late stage of infection. Among the 74 downregulated genes, 28 were putative CWDE genes. These were hydrolytic enzyme genes that composed a small fraction of genes within each family of cellulases, pectinases, cutinases, and proteinases. The mutants grew slower than the wild type on an axenic medium with pectin as a major carbon source. This study demonstrated the existence and the importance of a transcription factor that regulates a suite of genes that are important for decomposing and utilizing plant material during the late stage of plant infection.

  11. Accurate high level ab initio-based global potential energy surface and dynamics calculations for ground state of CH{sub 2}{sup +}

    SciTech Connect (OSTI)

    Li, Y. Q.; Zhang, P. Y.; Han, K. L.

    2015-03-28

    A global many-body expansion potential energy surface is reported for the electronic ground state of CH{sub 2}{sup +} by fitting high level ab initio energies calculated at the multireference configuration interaction level with the aug-cc-pV6Z basis set. The topographical features of the new global potential energy surface are examined in detail and found to be in good agreement with those calculated directly from the raw ab initio energies, as well as previous calculations available in the literature. In turn, in order to validate the potential energy surface, a test theoretical study of the reaction CH{sup +}(X{sup 1}Σ{sup +})+H({sup 2}S)→C{sup +}({sup 2}P)+H{sub 2}(X{sup 1}Σ{sub g}{sup +}) has been carried out with the method of time dependent wavepacket on the title potential energy surface. The total integral cross sections and the rate coefficients have been calculated; the results determined that the new potential energy surface can both be recommended for dynamics studies of any type and as building blocks for constructing the potential energy surfaces of larger C{sup +}/H containing systems.

  12. The structural diversity of ABS{sub 3} compounds with d{sup 0} electronic configuration for the B-cation

    SciTech Connect (OSTI)

    Brehm, John A. Bennett, Joseph W.; Schoenberg, Michael Rutenberg; Grinberg, Ilya; Rappe, Andrew M.

    2014-06-14

    We use first-principles density functional theory within the local density approximation to ascertain the ground state structure of real and theoretical compounds with the formula ABS{sub 3} (A = K, Rb, Cs, Ca, Sr, Ba, Tl, Sn, Pb, and Bi; and B = Sc, Y, Ti, Zr, V, and Nb) under the constraint that B must have a d{sup 0} electronic configuration. Our findings indicate that none of these AB combinations prefer a perovskite ground state with corner-sharing BS{sub 6} octahedra, but that they prefer phases with either edge- or face-sharing motifs. Further, a simple two-dimensional structure field map created from A and B ionic radii provides a neat demarcation between combinations preferring face-sharing versus edge-sharing phases for most of these combinations. We then show that by modifying the common Goldschmidt tolerance factor with a multiplicative term based on the electronegativity difference between A and S, the demarcation between predicted edge-sharing and face-sharing ground state phases is enhanced. We also demonstrate that, by calculating the free energy contribution of phonons, some of these compounds may assume multiple phases as synthesis temperatures are altered, or as ambient temperatures rise or fall.

  13. DRAFT - DOE O 350.2C, Use of Management and Operating or Other Facility Management Contractor Employees for Services to DOE in the Washington, D.C. Area

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

    The Order establishes policies and procedures for managing DOE and NNSA management and operating (M&O) contractors and other facility management contractor employees assigned to the Washington, D.C., area.

  14. Initial phase zone for phase locking to the resonance, using main condition of phase stability in DC-biased single-sided multipactor

    SciTech Connect (OSTI)

    Mostajeran, M., E-mail: mostajeran@yazd.ac.ir [Faculty of Physics, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of)

    2014-05-15

    In the present work, the concept of accurate phase stability is employed to study a DC-biased single-sided multipactor. A main condition of phase stability was introduced in our previous studies of two-sided multipactors [M. Mostajeran, J. Instrum. 8, P04024 (2013); M. Mostajeran and M. Lamehi Rachti, Nucl. Instrum. Methods Phys. Res. A 615, 15 (2010)]. Using the same condition and assuming zero initial velocity for the secondary electrons, a regime of multipactors outside the resonance zones is found. The theoretical results are then verified by numerical simulation.

  15. The effect of the dc bias voltage on the x-ray bremsstrahlung and beam intensities of medium and highly charged ions of argon

    SciTech Connect (OSTI)

    Rodrigues, G.; Lakshmy, P. S.; Kanjilal, D.; Roy, A.; Baskaran, R.

    2010-02-15

    X-ray bremsstrahlung measurements from the 18 GHz High Temperature Superconducting Electron Cyclotron Resonance Ion Source, Pantechnik-Delhi Ion Source were measured as a function of negative dc bias voltage, keeping all other source operating parameters fixed and the extraction voltage in the off condition. The optimization of medium and highly charged ions of argon with similar source operating parameters is described. It is observed that the high temperature component of the electron is altered significantly with the help of bias voltage, and the electron population has to be maximized for obtaining higher current.

  16. Study of the thermodynamic properties of CeO{sub 2} from ab initio calculations: The effect of phonon-phonon interaction

    SciTech Connect (OSTI)

    Niu, Zhen-Wei; Zeng, Zhao-Yi; Hu, Cui-E; Cai, Ling-Cang; Chen, Xiang-Rong

    2015-01-07

    The thermodynamic properties of CeO{sub 2} have been reevaluated by a simple but accurate scheme. All our calculations are based on the self-consistent ab initio lattice dynamical (SCAILD) method that goes beyond the quasiharmonic approximation. Through this method, the effects of phonon-phonon interactions are included. The obtained thermodynamic properties and phonon dispersion relations are in good agreement with experimental data when considering the correction of phonon-phonon interaction. We find that the correction of phonon-phonon interaction is equally important and should not be neglected. At last, by comparing with quasiharmonic approximation, the present scheme based on SCAILD method is probably more suitable for high temperature systems.

  17. Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent HalidesAB2I5:Eu2+(A=Li–Cs;B=Sr, Ba)

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

    Fang, C.  M.; Biswas, Koushik

    2015-07-22

    Several rare-earth-doped, heavy-metal halides have recently been identified as potential next-generation luminescent materials with high efficiency at low cost. AB2I5:Eu2+ (A=Li–Cs; B=Sr, Ba) is one such family of halides. Its members, such as CsBa2I5:Eu2+ and KSr2I5:Eu2+, are currently being investigated as high-performance scintillators with improved sensitivity, light yield, and energy resolution less than 3% at 662 keV. Within the AB2I5 family, our first-principles-based calculations reveal two remarkably different trends in Eu site occupation. The substitutional Eu ions occupy both eightfold-coordinated B1(VIII) and the sevenfold-coordinated B2(VII) sites in the Sr-containing compounds. However, in the Ba-containing crystals, Eu ions strongly prefer themore » B2(VII)sites. This random versus preferential distribution of Eu affects their electronic properties. The calculations also suggest that in the Ba-containing compounds one can expect the formation of Eu-rich domains. These results provide atomistic insight into recent experimental observations about the concentration and temperature effects in Eu-doped CsBa2I5. We discuss the implications of our results with respect to luminescent properties and applications. We also hypothesize Sr, Ba-mixed quaternary iodides ABaVIIISrVIII5:Eu as scintillators having enhanced homogeneity and electronic properties.« less

  18. RESOLVED NEAR-INFRARED SPECTROSCOPY OF WISE J104915.57-531906.1AB: A FLUX-REVERSAL BINARY AT THE L DWARF/T DWARF TRANSITION

    SciTech Connect (OSTI)

    Burgasser, Adam J.; Sheppard, Scott S.; Luhman, K. L.

    2013-08-01

    We report resolved near-infrared spectroscopy and photometry of the recently identified brown dwarf binary WISE J104915.57-531906.1AB, located 2.02 {+-} 0.15 pc from the Sun. Low-resolution spectral data from Magellan/FIRE and IRTF/SpeX reveal strong H{sub 2}O and CO absorption features in the spectra of both components, while the secondary also exhibits weak CH{sub 4} absorption at 1.6 {mu}m and 2.2 {mu}m. Spectral indices and comparison to low-resolution spectral standards indicate component types of L7.5 and T0.5 {+-} 1, the former consistent with the optical classification of the primary. Both sources also have unusually red spectral energy distributions for their spectral types, which we attribute to enhanced condensate opacity (thick clouds). Relative photometry reveals a flux reversal between the J and K bands, with the T dwarf component being brighter in the 0.95-1.3 {mu}m region ({Delta}J = -0.31 {+-} 0.05). As with other L/T transition binaries, this reversal likely reflects the depletion of condensate opacity in the T dwarf, with the contrast enhanced by the thick clouds present in the photosphere of the L dwarf primary. The 1 {mu}m flux from the T dwarf most likely emerges from gaps in its cloud layer, as suggested by the significant optical variability detected from this source by Gillon et al. Component mass measurements of the WISE J1049-5319AB system through astrometric and component radial velocity monitoring may resolve the current debate as to whether the loss of photospheric condensate clouds at the L dwarf/T dwarf boundary is a slow or rapid process, a conceivable endeavor given its proximity, brightness, small separation (3.1 {+-} 0.3 AU), and reasonable orbital period (20-30 yr)

  19. Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent HalidesAB2I5:Eu2+(A=Li–Cs;B=Sr, Ba)

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

    Fang, C.  M.; Biswas, Koushik

    2015-07-22

    Several rare-earth-doped, heavy-metal halides have recently been identified as potential next-generation luminescent materials with high efficiency at low cost. AB2I5:Eu2+ (A=Li–Cs; B=Sr, Ba) is one such family of halides. Its members, such as CsBa2I5:Eu2+ and KSr2I5:Eu2+, are currently being investigated as high-performance scintillators with improved sensitivity, light yield, and energy resolution less than 3% at 662 keV. Within the AB2I5 family, our first-principles-based calculations reveal two remarkably different trends in Eu site occupation. The substitutional Eu ions occupy both eightfold-coordinated B1(VIII) and the sevenfold-coordinated B2(VII) sites in the Sr-containing compounds. However, in the Ba-containing crystals, Eu ions strongly prefer themore »B2(VII)sites. This random versus preferential distribution of Eu affects their electronic properties. The calculations also suggest that in the Ba-containing compounds one can expect the formation of Eu-rich domains. These results provide atomistic insight into recent experimental observations about the concentration and temperature effects in Eu-doped CsBa2I5. We discuss the implications of our results with respect to luminescent properties and applications. We also hypothesize Sr, Ba-mixed quaternary iodides ABaVIIISrVIII5:Eu as scintillators having enhanced homogeneity and electronic properties.« less

  20. Exploring electrical conductivity anomalies across the martensite transition in Fe{sub 7}Pd{sub 3} ferromagnetic shape memory alloys: Experiments and ab-initio calculations

    SciTech Connect (OSTI)

    Arabi-Hashemi, A.; Mayr, S. G.

    2015-03-02

    Conductivity in Fe{sub 7}Pd{sub 3} is characterized by an anomalous increase when traversing the facecenteredcubic (fcc) austenite to facecenteredtetragonal (fct) martensite transition, contrary to most other conventional and ferromagnetic shape memory alloys. Experiments on molecular beamepitaxygrown single crystals indicate a resistivity change of ?20% during the transformation on top of a quadratic temperature dependence reaching up to room temperature. The physical foundations of residual resistivity changes along the full Bain path are addressed by a Kubo Greenwood approach within the framework of density functional theory. To do so, a concept to reliably extract the DC conductivities is proposed that yields reproducible results consistent with experiments. Finding that conductivity peaks in the fct phase, we identify a large density of states paired with high velocities at the Fermi level in the majority spin subbands in presence of minimum sd electron scattering as underlying physical origin.

  1. DC current induced metal-insulator transition in epitaxial Sm{sub 0.6}Nd{sub 0.4}NiO{sub 3}/LaAlO{sub 3} thin film

    SciTech Connect (OSTI)

    Huang, Haoliang; CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, Anhui 230026 ; Luo, Zhenlin Yang, Yuanjun; Yang, Mengmeng; Wang, Haibo; Hu, Sixia; Bao, Jun; National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei, Anhui 230026 ; Yun, Yu; Meng, Dechao; Lu, Yalin; Gao, Chen; CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, Anhui 230026; National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei, Anhui 230026

    2014-05-15

    The metal-insulator transition (MIT) in strong correlated electron materials can be induced by external perturbation in forms of thermal, electrical, optical, or magnetic fields. We report on the DC current induced MIT in epitaxial Sm{sub 0.6}Nd{sub 0.4}NiO{sub 3} (SNNO) thin film deposited by pulsed laser deposition on (001)-LaAlO{sub 3} substrate. It was found that the MIT in SNNO film not only can be triggered by thermal, but also can be induced by DC current. The T{sub MI} of SNNO film decreases from 282 K to 200 K with the DC current density increasing from 0.003 × 10{sup 9} A•m{sup −2} to 4.9 × 10{sup 9} A•m{sup −2}. Based on the resistivity curves measured at different temperatures, the MIT phase diagram has been successfully constructed.

  2. In search of the X{sub 2}BO and X{sub 2}BS (X = H, F) free radicals: Ab initio studies of their spectroscopic signatures

    SciTech Connect (OSTI)

    Clouthier, Dennis J.

    2014-12-28

    The F{sub 2}BO free radical is a known, although little studied, species but similar X{sub 2}BY (X = H, D, F; Y = O, S) molecules are largely unknown. High level ab initio methods have been used to predict the molecular structures, vibrational frequencies (in cm{sup −1}), and relative energies of the ground and first two excited electronic states of these free radicals, as an aid to their eventual spectroscopic identification. The chosen theoretical methods and basis sets were tested on F{sub 2}BO and found to give good agreement with the known experimental quantities. In particular, complete basis set extrapolations of coupled-cluster single and doubles with perturbative triple excitations/aug-cc-pVXZ (X = 3, 4, 5) energies gave excellent electronic term values, due to small changes in geometry between states and the lack of significant multireference character in the wavefunctions. The radicals are found to have planar C{sub 2v} geometries in the X{sup ~2}B{sub 2} ground state, the low-lying A{sup ~2}B{sub 1} first excited state, and the higher B{sup ~2}A{sub 1} state. Some of these radicals have very small ground state dipole moments hindering microwave measurements. Infrared studies in matrices or in the gas phase may be possible although the fundamentals of H{sub 2}BO and H{sub 2}BS are quite weak. The most promising method of identifying these species in the gas phase appears to be absorption or laser-induced fluorescence spectroscopy through the allowed B{sup ~}-X{sup ~} transitions which occur in the visible-near UV region of the electromagnetic spectrum. The ab initio results have been used to calculate the Franck-Condon profiles of the absorption and emission spectra, and the rotational structure of the B{sup ~}-X{sup ~}0{sub 0}{sup 0} bands has been simulated. The calculated single vibronic level emission spectra provide a unique, readily recognizable fingerprint of each particular radical, facilitating the experimental identification of new X{sub 2}BY species in the gas phase.

  3. Group Home Energy Efficiency Retrofit for 30% Energy Savings, Washington, D.C. (Fact Sheet), Building America Case Study: Whole-House Solutions for Existing Homes, Building Technologies Office (BTO)

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

    Group Home Energy Efficiency Retrofit for 30% Energy Savings Washington, D.C. PROJECT INFORMATION Construction: Existing Type: Group Home: Sasha Bruce Youthwork, Washington, DC www.sashabruce.org Size: 4,392 ft 2 Year of construction: 1900 Date completed: 2011 Climate Zone: Mixed-humid PERFORMANCE DATA Pre-retrofit energy use: 18.9 kilowatt- hours per square foot (kWh/ft 2 ) Post-retrofit energy use: 10.6 kWh/ft 2 Percent energy savings: 44% Incremental cost of energy efficiency measures:

  4. How the main condition of phase stability can explain the effect of the velocity deviation of secondary electrons in DC-biased single-sided multipactors

    SciTech Connect (OSTI)

    Mostajeran, M.

    2014-11-15

    In this work, a main condition for phase stability has been employed to investigate the effects of the velocity deviation of the electrons in DC-biased single-sided multipactors (MPs). In a previous study [M. Mostajeran, Phys. Plasmas 21, 053108 (2014)], a stability equation was derived, where the secondary electron was assumed to have zero initial velocity and the phase deviation from the resonant phase was considered. In this work, both deviations in phase and velocity from the resonant condition are taken into account, assuming nonzero initial velocity for the secondary electrons. Using the main condition for stability, it is shown that MP discharge can rise in situations, where large velocity deviations from initial velocity and large phase deviations from resonant phase exist. This is contrary to what can be predicted on the basis of the simple stability condition. This result is further confirmed by numerical simulations.

  5. Recovery in dc and rf performance of off-state step-stressed AlGaN/GaN high electron mobility transistors with thermal annealing

    SciTech Connect (OSTI)

    Kim, Byung-Jae; Hwang, Ya-Hsi; Ahn, Shihyun; Zhu, Weidi; Dong, Chen; Lu, Liu; Ren, Fan; Holzworth, M. R.; Jones, Kevin S.; Pearton, Stephen J.; Smith, David J.; Kim, Jihyun; Zhang, Ming-Lan

    2015-04-13

    The recovery effects of thermal annealing on dc and rf performance of off-state step-stressed AlGaN/GaN high electron mobility transistors were investigated. After stress, reverse gate leakage current and sub-threshold swing increased and drain current on-off ratio decreased. However, these degradations were completely recovered after thermal annealing at 450?C for 10 mins for devices stressed either once or twice. The trap densities, which were estimated by temperature-dependent drain-current sub-threshold swing measurements, increased after off-state step-stress and were reduced after subsequent thermal annealing. In addition, the small signal rf characteristics of stressed devices were completely recovered after thermal annealing.

  6. A comparative ab initio study of superconductivity in the body centered tetragonal YC{sub 2} and LaC{sub 2}

    SciTech Connect (OSTI)

    Ttnc, H. M.; Srivastava, G. P.

    2015-04-21

    Ab initio studies of the electronic band structure and phonon dispersion relations, using the planewave pseudopotential method and the density functional theory, have been made for the superconducting materials YC{sub 2} and LaC{sub 2}. Differences in the phonon spectrum and density of states both in the acoustical and optical ranges between these materials are investigated and discussed. By integrating the Eliashberg spectral function ?{sup 2}F(?), the average electron-phonon coupling parameter is found to be ??=?0.55 for YC{sub 2} and 0.54 for LaC{sub 2}, indicating these to be weak-coupling BCS superconductors. It is established that about 60% of ? is contributed by acoustic phonons in both materials. Using a reasonable value of ?{sup *?}=?0.13 for the effective Coulomb repulsion parameter, the superconducting critical temperature T{sub c} is found to be 3.81?K for YC{sub 2} and 2.44?K for LaC{sub 2}, in good agreement with values reported from experimental measurements.

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

    SciTech Connect (OSTI)

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

    2011-01-01

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

  8. Ab initio molecular dynamics simulations of short-range order in Zr50Cu45Al5 and Cu50Zr45Al5 metallic glasses

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

    Huang, Yuxiang; Huang, Li; Wang, C. Z.; Kramer, M. J.; Ho, K. M.

    2016-02-01

    In this study, comparative analysis between Zr-rich Zr50Cu45Al5 and Cu-rich Cu50Zr45Al5 metallic glasses (MGs) is extensively performed to locate the key structural motifs accounting for their difference of glass forming ability. Here we adopt ab initio molecular dynamics simulations to investigate the local atomic structures of Zr50Cu45Al5 and Cu50Zr45Al5 MGs. A high content of icosahedral-related (full and distorted) orders was found in both samples, while in the Zr-rich MG full icosahedrons <0,0,12,0> is dominant, and in the Cu-rich one the distorted icosahedral orders, especially <0,2,8,2> and <0,2,8,1>, are prominent. And the <0,2,8,2> polyhedra in Cu50Zr45Al5 MG mainly originate from Al-centeredmore » clusters, while the <0,0,12,0> in Zr50Cu45Al5 derives from both Cu-centered clusters and Al-centered clusters. These difference may be ascribed to the atomic size difference and chemical property between Cu and Zr atoms. The relatively large size of Zr and large negative heat of mixing between Zr and Al atoms, enhancing the packing density and stability of metallic glass system, may be responsible for the higher glass forming ability of Zr50Cu45Al5.« less

  9. Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-Azomethane

    SciTech Connect (OSTI)

    Gaenko, Alexander; DeFusco, Albert; Varganov, Sergey A.; Martnez, Todd J.; Gordon, Mark S.

    2014-10-20

    This work presents a nonadiabatic molecular dynamics study of the nonradiative decay of photoexcited trans-azomethane, using the ab initio multiple spawning (AIMS) program that has been interfaced with the General Atomic and Molecular Electronic Structure System (GAMESS) quantum chemistry package for on-the-fly electronic structure evaluation. The interface strategy is discussed, and the capabilities of the combined programs are demonstrated with a nonadiabatic molecular dynamics study of the nonradiative decay of photoexcited trans-azomethane. Energies, gradients, and nonadiabatic coupling matrix elements were obtained with the state-averaged complete active space self-consistent field method, as implemented in GAMESS. The influence of initial vibrational excitation on the outcome of the photoinduced isomerization is explored. Increased vibrational excitation in the CNNC torsional mode shortens the excited state lifetime. Depending on the degree of vibrational excitation, the excited state lifetime varies from ~60200 fs. As a result, these short lifetimes are in agreement with time-resolved photoionization mass spectroscopy experiments.

  10. Unified ab initio approach to bound and unbound states: No-core shell model with continuum and its application to 7He

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

    Baroni, Simone; Navratil, Petr; Quaglioni, Sofia

    2013-03-26

    In this study, we introduce a unified approach to nuclear bound and continuum states based on the coupling of the no-core shell model (NCSM), a bound-state technique, with the no-core shell model/resonating group method (NCSM/RGM), a nuclear scattering technique. This new ab initio method, no-core shell model with continuum (NCSMC), leads to convergence properties superior to either NCSM or NCSM/RGM while providing a balanced approach to different classes of states. In the NCSMC, the ansatz for the many-nucleon wave function includes (i) a square-integrable A-nucleon component expanded in a complete harmonic oscillator basis and (ii) a binary-cluster component with asymptoticmore » boundary conditions that can properly describe weakly bound states, resonances, and scattering. The Schrödinger equation is transformed into a system of coupled-channel integral-differential equations that we solve using a modified microscopic R-matrix formalism within a Lagrange mesh basis. We demonstrate the usefulness of the approach by investigating the unbound 7He nucleus.« less

  11. AB INITIO EQUATIONS OF STATE FOR HYDROGEN (H-REOS.3) AND HELIUM (He-REOS.3) AND THEIR IMPLICATIONS FOR THE INTERIOR OF BROWN DWARFS

    SciTech Connect (OSTI)

    Becker, Andreas; Lorenzen, Winfried; Schttler, Manuel; Redmer, Ronald; Fortney, Jonathan J.; Nettelmann, Nadine

    2015-01-01

    We present new equations of state (EOSs) for hydrogen and helium covering a wide range of temperatures from 60 K to 10{sup 7} K and densities from 10{sup 10} g cm{sup 3} to 10{sup 3} g cm{sup 3}. They include an extended set of ab initio EOS data for the strongly correlated quantum regime with an accurate connection to data derived from other approaches for the neighboring regions. We compare linear mixing isotherms based on our EOS tables with available real mixture data. A first important astrophysical application of this new EOS data is the calculation of interior models for Jupiter and comparison with recent results. Second, mass-radius relations are calculated for Brown Dwarfs (BDs) which we compare with predictions derived from the widely used EOS of Saumon, Chabrier, and van Horn. Furthermore, we calculate interior models for typical BDs with different masses, namely, Corot-3b, Gliese-229b, and Corot-15b, and the giant planet KOI-889b. The predictions for the central pressures and densities differ by up to 10% dependent on the EOS used. Our EOS tables are made available in the supplemental material of this paper.

  12. WEATHER ON THE NEAREST BROWN DWARFS: RESOLVED SIMULTANEOUS MULTI-WAVELENGTH VARIABILITY MONITORING OF WISE J104915.57531906.1AB

    SciTech Connect (OSTI)

    Biller, Beth A.; Crossfield, Ian J. M.; Mancini, Luigi; Ciceri, Simona; Kopytova, Taisiya G.; Bonnefoy, Mickal; Deacon, Niall R.; Schlieder, Joshua E.; Buenzli, Esther; Brandner, Wolfgang; Bailer-Jones, Coryn A. L.; Henning, Thomas; Goldman, Bertrand; Southworth, John; Allard, France; Homeier, Derek; Freytag, Bernd; Greiner, Jochen

    2013-11-20

    We present two epochs of MPG/ESO 2.2m GROND simultaneous six-band (r'i'z' JHK) photometric monitoring of the closest known L/T transition brown dwarf binary WISE J104915.57531906.1AB. We report here the first resolved variability monitoring of both the T0.5 and L7.5 components. We obtained 4 hr of focused observations on the night of 2013 April 22 (UT), as well as 4 hr of defocused (unresolved) observations on the night of 2013 April 16 (UT). We note a number of robust trends in our light curves. The r' and i' light curves appear to be anti-correlated with z' and H for the T0.5 component and in the unresolved light curve. In the defocused dataset, J appears correlated with z' and H and anti-correlated with r' and i', while in the focused dataset we measure no variability for J at the level of our photometric precision, likely due to evolving weather phenomena. In our focused T0.5 component light curve, the K band light curve displays a significant phase offset relative to both H and z'. We argue that the measured phase offsets are correlated with atmospheric pressure probed at each band, as estimated from one-dimensional atmospheric models. We also report low-amplitude variability in i' and z' intrinsic to the L7.5 component.

  13. Ab initio study on the effect of structural relaxation on the electronic and optical properties of P-doped Si nanocrystals

    SciTech Connect (OSTI)

    Pi, Xiaodong; Ni, Zhenyi; Yang, Deren E-mail: christophe.delerue@isen.fr; Delerue, Christophe E-mail: christophe.delerue@isen.fr

    2014-11-21

    In contrast to the conventional doping of bulk silicon (Si), the doping of Si nanocrystals (NCs) that are often smaller than 5 nm in diameter may lead to serious structural changes. Since the electronic and optical properties of Si NCs are intimately associated with their structures, it is critical to understand how doping impacts the structures of Si NCs. By means of ab initio calculation we now compare 1.4 nm phosphorus (P)-doped Si NCs without structural relaxation and those with structural relaxation. Structural changes induced by structural relaxation are manifested by the stretching and compressing of bonds and apparent variations in bond angles. With the increase of the concentration of P structural changes induced by structural relaxation become more serious. It is found that structural relaxation makes differences in the energy-level schemes of P-doped Si NCs. Structural relaxation also causes the binding energy of an electron in a P-doped Si NC to more significantly increase as the concentration of P increases. With the increase of the concentration of P structural relaxation leads to more pronounced changes in the optical absorption of P-doped Si NCs.

  14. Ab Initio Simulation of Charge Transfer at the Semiconductor Quantum Dot/TiO 2 Interface in Quantum Dot-Sensitized Solar Cells

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

    Xin, Xukai; Li, Bo; Jung, Jaehan; Yoon, Young Jun; Biswas, Rana; Lin, Zhiqun

    2014-07-24

    Quantum dot-sensitized solar cells (QDSSCs) have emerged as a promising solar architecture for next-generation solar cells. The QDSSCs exhibit a remarkably fast electron transfer from the quantum dot (QD) donor to the TiO2 acceptor with size quantization properties of QDs that allows for the modulation of band energies to control photoresponse and photoconversion efficiency of solar cells. In order to understand the mechanisms that underpin this rapid charge transfer, the electronic properties of CdSe and PbSe QDs with different sizes on the TiO2 substrate are simulated using a rigorous ab initio density functional method. Our method capitalizes on localized orbitalmore » basis set, which is computationally less intensive. Quite intriguingly, a remarkable set of electron bridging states between QDs and TiO2 occurring via the strong bonding between the conduction bands of QDs and TiO2 is revealed. Such bridging states account for the fast adiabatic charge transfer from the QD donor to the TiO2 acceptor, and may be a general feature for strongly coupled donor/acceptor systems. All the QDs/TiO2 systems exhibit type II band alignments, with conduction band offsets that increase with the decrease in QD size. This facilitates the charge transfer from QDs donors to TiO2 acceptors and explains the dependence of the increased charge transfer rate with the decreased QD size.« less

  15. Request to Cancel Department of Energy (DOE) Order 350.2B, Use of Management and Operating or other Facility Management Contractor Employees for Services to DOE in the Washington D.C. Area

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

    2015-11-23

    DOE is canceling this directive and its associated DOE-wide mandated requirements in recognition of Departmental management and oversight improvements of Headquarters sponsored assignments to the Washington D.C. area and opting to implement as program specific risk based management approach to these actions.

  16. Request to Cancel Department of Energy (DOE) Order, Use of Management and Operating or other Facility Management Contractor Employees for Services to DOE in the Washington D.C. Area, dated May 31, 2011

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

    DOE is canceling this directive and its associated DOE-wide mandated requirements in recognition of Departmental management and oversight improvements of Headquarters sponsored assignments to the Washington D.C. area and opting to implement as program specific risk based management approach to these actions.

  17. Ab Initio Simulation of Charge Transfer at the Semiconductor Quantum Dot/TiO 2 Interface in Quantum Dot-Sensitized Solar Cells

    SciTech Connect (OSTI)

    Xin, Xukai; Li, Bo; Jung, Jaehan; Yoon, Young Jun; Biswas, Rana; Lin, Zhiqun

    2014-07-24

    Quantum dot-sensitized solar cells (QDSSCs) have emerged as a promising solar architecture for next-generation solar cells. The QDSSCs exhibit a remarkably fast electron transfer from the quantum dot (QD) donor to the TiO2 acceptor with size quantization properties of QDs that allows for the modulation of band energies to control photoresponse and photoconversion efficiency of solar cells. In order to understand the mechanisms that underpin this rapid charge transfer, the electronic properties of CdSe and PbSe QDs with different sizes on the TiO2 substrate are simulated using a rigorous ab initio density functional method. Our method capitalizes on localized orbital basis set, which is computationally less intensive. Quite intriguingly, a remarkable set of electron bridging states between QDs and TiO2 occurring via the strong bonding between the conduction bands of QDs and TiO2 is revealed. Such bridging states account for the fast adiabatic charge transfer from the QD donor to the TiO2 acceptor, and may be a general feature for strongly coupled donor/acceptor systems. All the QDs/TiO2 systems exhibit type II band alignments, with conduction band offsets that increase with the decrease in QD size. This facilitates the charge transfer from QDs donors to TiO2 acceptors and explains the dependence of the increased charge transfer rate with the decreased QD size.

  18. Proton transfer through hydrogen bonds in two-dimensional water layers: A theoretical study based on ab initio and quantum-classical simulations

    SciTech Connect (OSTI)

    Bankura, Arindam; Chandra, Amalendu

    2015-01-28

    The dynamics of proton transfer (PT) through hydrogen bonds in a two-dimensional water layer confined between two graphene sheets at room temperature are investigated through ab initio and quantum-classical simulations. The excess proton is found to be mostly solvated as an Eigen cation where the hydronium ion donates three hydrogen bonds to the neighboring water molecules. In the solvation shell of the hydronium ion, the three coordinated water molecules with two donor hydrogen bonds are found to be properly presolvated to accept a proton. Although no hydrogen bond needs to be broken for transfer of a proton to such presolvated water molecules from the hydronium ion, the PT rate is still found to be not as fast as it is for one-dimensional chains. Here, the PT is slowed down as the probability of finding a water with two donor hydrogen bonds in the solvation shell of the hydronium ion is found to be only 25%-30%. The hydroxide ion is found to be solvated mainly as a complex anion where it accepts four H-bonds through its oxygen atom and the hydrogen atom of the hydroxide ion remains free all the time. Here, the presolvation of the hydroxide ion to accept a proton requires that one of its hydrogen bonds is broken and the proton comes from a neighboring water molecule with two acceptor and one donor hydrogen bonds. The coordination number reduction by breaking of a hydrogen bond is a slow process, and also the population of water molecules with two acceptor and one donor hydrogen bonds is only 20%-25% of the total number of water molecules. All these factors together tend to slow down the hydroxide ion migration rate in two-dimensional water layers compared to that in three-dimensional bulk water.

  19. The MSRC Ab Initio Methods Benchmark Suite: A measurement of hardware and software performance in the area of electronic structure methods

    SciTech Connect (OSTI)

    Feller, D.F.

    1993-07-01

    This collection of benchmark timings represents a snapshot of the hardware and software capabilities available for ab initio quantum chemical calculations at Pacific Northwest Laboratory`s Molecular Science Research Center in late 1992 and early 1993. The ``snapshot`` nature of these results should not be underestimated, because of the speed with which both hardware and software are changing. Even during the brief period of this study, we were presented with newer, faster versions of several of the codes. However, the deadline for completing this edition of the benchmarks precluded updating all the relevant entries in the tables. As will be discussed below, a similar situation occurred with the hardware. The timing data included in this report are subject to all the normal failures, omissions, and errors that accompany any human activity. In an attempt to mimic the manner in which calculations are typically performed, we have run the calculations with the maximum number of defaults provided by each program and a near minimum amount of memory. This approach may not produce the fastest performance that a particular code can deliver. It is not known to what extent improved timings could be obtained for each code by varying the run parameters. If sufficient interest exists, it might be possible to compile a second list of timing data corresponding to the fastest observed performance from each application, using an unrestricted set of input parameters. Improvements in I/O might have been possible by fine tuning the Unix kernel, but we resisted the temptation to make changes to the operating system. Due to the large number of possible variations in levels of operating system, compilers, speed of disks and memory, versions of applications, etc., readers of this report may not be able to exactly reproduce the times indicated. Copies of the output files from individual runs are available if questions arise about a particular set of timings.

  20. Influence of a Weak Field of Pulsed DC Electricity on the Behavior and Incidence of Injury in Adult Steelhead and Pacific Lamprey, Final Report.

    SciTech Connect (OSTI)

    Mesa, Matthew

    2009-02-13

    Predation by pinnipeds, such as California sea lions Zalophus californianus, Pacific harbor seals Phoca vitulina, and Stellar sea lions Eumetopias jubatus on adult Pacific salmon Oncorhynchus spp in the lower Columbia River has become a serious concern for fishery managers trying to conserve and restore runs of threatened and endangered fish. As a result, Smith-Root, Incorporated (SRI; Vancouver, Washington), manufacturers of electrofishing and closely-related equipment, proposed a project to evaluate the potential of an electrical barrier to deter marine mammals and reduce the amount of predation on adult salmonids (SRI 2007). The objectives of their work were to develop, deploy, and evaluate a passive, integrated sonar and electric barrier that would selectively inhibit the upstream movements of marine mammals and reduce predation, but would not injure pinnipeds or impact anadromous fish migrations. However, before such a device could be deployed in the field, concerns by regional fishery managers about the potential effects of such a device on the migratory behavior of Pacific salmon, steelhead O. mykiss, Pacific lampreys Entoshpenus tridentata, and white sturgeon Acipenser transmontanus, needed to be addressed. In this report, we describe the results of laboratory research designed to evaluate the effects of prototype electric barriers on adult steelhead and Pacific lampreys. The effects of electricity on fish have been widely studied and include injury or death (e.g., Sharber and Carothers 1988; Dwyer et al. 2001; Snyder 2003), physiological dysfunction (e.g., Schreck et al. 1976; Mesa and Schreck 1989), and altered behavior (Mesa and Schreck 1989). Much of this work was done to investigate the effects of electrofishing on fish in the wild. Because electrofishing operations would always use more severe electrical settings than those proposed for the pinniped barrier, results from these studies are probably not relevant to the work proposed by SRI. Field electrofishing operations typically use high voltage and amperage settings and a variety of waveforms, pulse widths (PW), and pulse frequencies (PF), depending on conditions and target species. For example, when backpack electrofishing for trout in a small stream, one might use settings such as 500 V pulsed DC, a PW of 1 ms, and a PF of 60 Hz. In contrast, the electrical barrier proposed by SRI will produce electrical conditions significantly lower than those used in electrofishing, particularly for PW and PF (e.g., PW ranging from 300-1,000 {micro}s and PF from 2-3 Hz). Further, voltage gradients (in V/cm) are predicted to be lower in the electric barrier than those produced during typical electrofishing. Although the relatively weak, pulsed DC electric fields to be produced by the barrier may be effective at deterring pinnipeds, little, if anything, is known about the effects of such low intensity electrical fields on fish behavior. For this research, we evaluated the effects of weak, pulsed DC electric currents on the behavior of adult steelhead and Pacific lamprey and the incidence of injury in steelhead only. In a series of laboratory experiments, we: (1) documented the rate of passage of fish over miniature, prototype electric barriers when they were on and off; (2) determined some electric thresholds beyond which fish would not pass over the barrier; and (3) assessed the incidence and severity of injury in steelhead exposed to relatively severe electrical conditions. The results of this study should be useful for making decisions about whether to install electrical barriers in the lower Columbia River, or elsewhere, to reduce predation on upstream migrating salmonids and other fishes by marine pinnipeds.