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  1. VT Nuclear Services ltd | Open Energy Information

    Open Energy Info (EERE)

    VT Nuclear Services ltd Jump to: navigation, search Name: VT Nuclear Services ltd Place: Warrington, United Kingdom Zip: WA4 4BP Sector: Services Product: VT Nuclear Services...

  2. EV Community Readiness projects: New York City and Lower Hudson Valley Clean Communities, Inc. (NY, MA, PA); NYSERDA (ME, NH, VT, MA, RI, CT, NY, NJ, PA, DE, MD, DC)

    Broader source: Energy.gov [DOE]

    2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting

  3. Category:Burlington, VT | Open Energy Information

    Open Energy Info (EERE)

    Burlington VT Central Vermont Pub Serv Corp.png SVMidriseApartment Bur... 68 KB SVQuickServiceRestaurant Burlington VT Central Vermont Pub Serv Corp.png...

  4. Boynton v. Gilman, 53 Vt. 17 (1880) | Open Energy Information

    Open Energy Info (EERE)

    v. Gilman, 53 Vt. 17 (1880) Jump to: navigation, search OpenEI Reference LibraryAdd to library Legal CaseHearing: Boynton v. Gilman, 53 Vt. 17 (1880)Legal Abstract Riparian rights...

  5. State v. Morse, 84 Vt. 387 (1911) | Open Energy Information

    Open Energy Info (EERE)

    v. Morse, 84 Vt. 387 (1911) Jump to: navigation, search OpenEI Reference LibraryAdd to library Legal CaseHearing: State v. Morse, 84 Vt. 387 (1911)Legal Hearing State v. Morse, 84...

  6. Vermont Instructions for Preparing the VT Hazardous Waste Handler...

    Open Energy Info (EERE)

    Instructions for Preparing the VT Hazardous Waste Handler Site ID Form Jump to: navigation, search OpenEI Reference LibraryAdd to library PermittingRegulatory Guidance -...

  7. RAPID/Roadmap/19-VT-a | Open Energy Information

    Open Energy Info (EERE)

    RAPIDRoadmap19-VT-a < RAPID | Roadmap Jump to: navigation, search RAPID Regulatory and Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal...

  8. RAPID/Roadmap/7-VT-a | Open Energy Information

    Open Energy Info (EERE)

    RAPIDRoadmap7-VT-a < RAPID | Roadmap Jump to: navigation, search RAPID Regulatory and Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal Hydropower...

  9. RAPID/Roadmap/8-VT-c | Open Energy Information

    Open Energy Info (EERE)

    RAPIDRoadmap8-VT-c < RAPID | Roadmap Jump to: navigation, search RAPID Regulatory and Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal Hydropower...

  10. RAPID/Roadmap/1-VT-a | Open Energy Information

    Open Energy Info (EERE)

    RAPIDRoadmap1-VT-a < RAPID | Roadmap Jump to: navigation, search RAPID Regulatory and Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal Hydropower...

  11. RAPID/Roadmap/6-VT-a | Open Energy Information

    Open Energy Info (EERE)

    Roadmap6-VT-a < RAPID | Roadmap Jump to: navigation, search RAPID Regulatory and Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal Hydropower Solar...

  12. RAPID/Roadmap/13-VT-a | Open Energy Information

    Open Energy Info (EERE)

    RAPIDRoadmap13-VT-a < RAPID | Roadmap Jump to: navigation, search RAPID Regulatory and Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal...

  13. RAPID/Roadmap/3-VT-c | Open Energy Information

    Open Energy Info (EERE)

    Flowchart Narrative 3-VT-c.1 - Contact VTrans or Local Area Agency Transportation Maintenance District The developer should contact VTrans Utilities and Permits Unit or a local...

  14. RAPID/Roadmap/12-VT-a | Open Energy Information

    Open Energy Info (EERE)

    Toolkit related to hydropower are currently under development and subject to change ANR Fish and Wildlife Conditions and Recommendations (12-VT-a) The Federal Power Act (FPA)...

  15. North Troy, VT Natural Gas Pipeline Imports From Canada (Million...

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

    Million Cubic Feet) North Troy, VT Natural Gas Pipeline Imports From Canada (Million Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's ...

  16. North Troy, VT Natural Gas Pipeline Imports From Canada (Dollars...

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

    Dollars per Thousand Cubic Feet) North Troy, VT Natural Gas Pipeline Imports From Canada (Dollars per Thousand Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 ...

  17. Davis v. Fuller, 12 Vt. 178, 198 (1840) | Open Energy Information

    Open Energy Info (EERE)

    v. Fuller, 12 Vt. 178, 198 (1840) Jump to: navigation, search OpenEI Reference LibraryAdd to library Legal CaseHearing: Davis v. Fuller, 12 Vt. 178, 198 (1840)Legal Hearing Davis...

  18. Magoon v. Harris, 46 Vt. 264, 269 (1863) | Open Energy Information

    Open Energy Info (EERE)

    Magoon v. Harris, 46 Vt. 264, 269 (1863) Jump to: navigation, search OpenEI Reference LibraryAdd to library Legal CaseHearing: Magoon v. Harris, 46 Vt. 264, 269 (1863)Legal...

  19. Lawrie v. Silsby, 76 Vt. 240, 253 (1904) | Open Energy Information

    Open Energy Info (EERE)

    Lawrie v. Silsby, 76 Vt. 240, 253 (1904) Jump to: navigation, search OpenEI Reference LibraryAdd to library Legal CaseHearing: Lawrie v. Silsby, 76 Vt. 240, 253 (1904)Legal...

  20. Chatfield v. Wilson, 31 Vt. 358, 262-63 (1858) | Open Energy...

    Open Energy Info (EERE)

    Chatfield v. Wilson, 31 Vt. 358, 262-63 (1858) Jump to: navigation, search OpenEI Reference LibraryAdd to library Legal CaseHearing: Chatfield v. Wilson, 31 Vt. 358, 262-63...

  1. Johns v. Stevens, 3 Vt. 308, 315-16 (1830) | Open Energy Information

    Open Energy Info (EERE)

    v. Stevens, 3 Vt. 308, 315-16 (1830) Jump to: navigation, search OpenEI Reference LibraryAdd to library Legal CaseHearing: Johns v. Stevens, 3 Vt. 308, 315-16 (1830)Legal Abstract...

  2. Snow v. Parsons, 28 Vt. 459, 460-64 (1856) | Open Energy Information

    Open Energy Info (EERE)

    v. Parsons, 28 Vt. 459, 460-64 (1856) Jump to: navigation, search OpenEI Reference LibraryAdd to library Legal CaseHearing: Snow v. Parsons, 28 Vt. 459, 460-64 (1856)Legal...

  3. Highgate Springs, VT Natural Gas Liquefied Natural Gas Imports (Million

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

    Cubic Feet) (Million Cubic Feet) Highgate Springs, VT Natural Gas Liquefied Natural Gas Imports (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2013 109 2014 41 23 2015 46 39 34 41 41 39 40 41 43 37 2016 41 38 43 55 110 112 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S. Liquefied Natural Gas Imports by Point of

  4. Highgate Springs, VT Natural Gas Pipeline Imports From Canada (Million

    Gasoline and Diesel Fuel Update (EIA)

    Cubic Feet) (Million Cubic Feet) Highgate Springs, VT Natural Gas Liquefied Natural Gas Imports (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2013 109 2014 41 23 2015 46 39 34 41 41 39 40 41 43 37 2016 41 38 43 55 110 112 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S. Liquefied Natural Gas Imports by Point of

  5. Duration Test Report for the Ventera VT10 Wind Turbine

    SciTech Connect (OSTI)

    Smith, J.; Huskey, A.; Jager, D.; Hur, J.

    2013-06-01

    This project was established to help reduce the barriers of wind energy expansion by providing independent testing results for small wind turbines. Five turbines were tested at the National Wind Technology Center (NWTC) at the National Renewable Energy Laboratory (NREL) as a part of round one of this project. Duration testing is one of up to five tests that may be performed on the turbines, including power performance, safety and function, noise, and power quality. Test results will provide manufacturers with reports that can be used to fulfill part of the requirements for small wind turbine certification. The test equipment included a grid-connected Ventera Energy Corporation VT10 wind turbine mounted on an 18.3-m (60-ft) self-supporting lattice tower manufactured by Rohn.

  6. miniMD v. 1.0

    Energy Science and Technology Software Center (OSTI)

    2009-06-12

    Simple parallel MD code that serves as a microapplication in the Mantevo suite. Study of computer system design and implementation, benchmarking of new and existing computer systems.

  7. Hawley v. Sheldon, 64 Vt. 491, 493-94 (1892) | Open Energy Information

    Open Energy Info (EERE)

    as a "distinct channel...with well-defined banks, cut through the turf, and into the soil by the flowing of the water..." Hawley v. Sheldon, 64 Vt. 491, 493-94 (1892). Hearing...

  8. Category:Concord, NH | Open Energy Information

    Open Energy Info (EERE)

    16 files are in this category, out of 16 total. SVFullServiceRestaurant Concord NH Public Service Co of NH.png SVFullServiceRestauran... 74 KB SVHospital Concord NH Public...

  9. Wind Turbine Generator System Safety and Function Test Report for the Ventera VT10 Wind Turbine

    SciTech Connect (OSTI)

    Smith, J.; Huskey, A.; Jager, D.; Hur, J.

    2012-11-01

    This report summarizes the results of a safety and function test that NREL conducted on the Ventera VT10 wind turbine. This test was conducted in accordance with the International Electrotechnical Commissions' (IEC) standard, Wind Turbine Generator System Part 2: Design requirements for small wind turbines, IEC 61400-2 Ed.2.0, 2006-03.

  10. DOE - Office of Legacy Management -- Johns Hopkins University - MD 02

    Office of Legacy Management (LM)

    Johns Hopkins University - MD 02 FUSRAP Considered Sites Site: JOHNS HOPKINS UNIVERSITY (MD.02 ) Eliminated from further consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Baltimore , Maryland MD.02-1 Evaluation Year: 1987 MD.02-2 Site Operations: Conducted spectroscopic studies under contract number AT(49-1)-309. MD.02-1 Site Disposition: Eliminated - Potential for contamination considered remote based on limited quantities of material used in a controlled

  11. DOE - Office of Legacy Management -- Maryland Disposal Site - MD 05

    Office of Legacy Management (LM)

    Maryland Disposal Site - MD 05 FUSRAP Considered Sites Site: MARYLAND DISPOSAL SITE (MD.05 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Baltimore - Vicinity , Maryland MD.05-1 Evaluation Year: 1989 MD.05-1 Site Operations: Proposed disposal site - never developed. MD.05-1 Site Disposition: Eliminated Radioactive Materials Handled: None Indicated Primary Radioactive Materials Handled: None Indicated Radiological Survey(s): None

  12. Transportation Energy Data Book, Vehicle Technologies Market Report, and VT Fact of the Week

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

    Transportation Data Programs: Transportation Energy Data Book, Vehicle Technologies Market Report, and VT Fact of the Week This presentation does not contain any proprietary, confidential, or otherwise restricted information Project ID # VAN009 2015 U.S. DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting June 8-12, 2015 Principal Investigator: Stacy Davis June 11, 2015 2 Overview * Project start date: October 2014 * Project end

  13. Microsoft Word - figure_03.doc

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

    Oil and Gas Reserves"; PointLogic Energy; Ventyx; and the Bureau of Safety and Environmental Enforcement, and predecessor agencies. IN OH TN WV VA KY MD PA NY VT NH MA CT ME RI ...

  14. EV Community Readiness projects: New York City and Lower Hudson...

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

    City and Lower Hudson Valley Clean Communities, Inc. (NY, MA, PA); NYSERDA (ME, NH, VT, MA, RI, CT, NY, NJ, PA, DE, MD, DC) EV Community Readiness projects: New York City and ...

  15. Alfred L. Frechette, M.D. COYYISIIONE~

    Office of Legacy Management (LM)

    Alfred L. Frechette, M.D. - COYYISIIONE~ , 5i7 StrcOm 02X/ Room 770 Tel: (6171 727-2660 October 15. 1979 \+ * Dr. William Mot? DOE Environmental Control Division ' Mail Stop E2Gl Washington, D.C. 20545 Re: Uranium in the Woburn Dump Dear Dr. Mott: The Massachusetts Department of Public Health has been informed that uranium ore was disposed of in a dump site in Woburn, Massachusetts sometime in 1960. x. -.. ' The National Lead Company, was under contract with a federal agency to assay uranium ore

  16. VA VT CT RI MT WY CO ID UT OR NV CA AZ NM WA TN WV NC AR OK

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

    2 1 Smart Grid Demonstration Project Locations NH MA 16 Awards Support Projects in 21 States

  17. Highgate Springs, VT Natural Gas Liquefied Natural Gas Imports from Canada

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

    (Million Cubic Feet) Liquefied Natural Gas Imports from Canada (Million Cubic Feet) Highgate Springs, VT Natural Gas Liquefied Natural Gas Imports from Canada (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2013 88 139 139 79 109 2014 41 23 2015 46 39 34 41 41 39 40 41 43 37 2016 41 38 43 55 110 112 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date:

  18. DOE - Office of Legacy Management -- R Brew Co - NH 01

    Office of Legacy Management (LM)

    Brew Co - NH 01 FUSRAP Considered Sites Site: R. BREW CO. (NH.01 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Concord , New Hampshire NH.01-1 Evaluation Year: 1994 NH.01-2 Site Operations: Conducted vacuum furnace tests using uranium and copper billets. NH.01-1 NH.01-3 Site Disposition: Eliminated - Potential for contamination remote NH.01-2 Radioactive Materials Handled: Yes Primary Radioactive Materials Handled: Uranium NH.01-1

  19. DOE - Office of Legacy Management -- W R Grace Co - Curtis Bay - MD 01

    Office of Legacy Management (LM)

    Co - Curtis Bay - MD 01 FUSRAP Considered Sites W.R. Grace Co., MD Alternate Name(s): W.R. Grace Rare Earths, Inc. Davison Chemical Division Curtis Bay Plant MD.01-2 MD.01-3 Location: Curtis Bay, Baltimore, Maryland MD.01-2 Historical Operations: Conducted developmental research and thorium extraction from monazite ore for AEC. MD.01-6 Eligibility Determination: Eligible MD.01-2 Radiological Survey(s): Assessment Surveys MD.01-3 MD.01-4 MD.01-5 MD.01-6 Site Status: Cleanup in progress by U.S.

  20. VA VT CT RI MT WY CO ID UT OR NV CA AZ NM WA TN WV NC AR OK

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

    7 2 1 Energy Storage Demonstration Project Locations NH 16 Awards Support Projects in 9 States MA

  1. DOE - Office of Legacy Management -- Max Zuckerman and Sons Inc - MD 04

    Office of Legacy Management (LM)

    Inc - MD 04 FUSRAP Considered Sites Site: MAX ZUCKERMAN & SONS, INC. (MD.04 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: Maryland Alloys Corporation MD.04-1 Location: 5245 Fairlawn Avenue , Baltimore , Maryland MD.04-2 Evaluation Year: 1994 MD.04-1 MD.04-3 Site Operations: Scrap metals broker that arranged purchases of materials for third party buyers. MD.04-2 MD.04-4 Site Disposition: Eliminated - Potential for contamination remote MD.04-3

  2. American Physical Society March Meeting (Baltimore, MD) - JCAP

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

    American Physical Society March Meeting (Baltimore, MD) American Physical Society March Meeting (Baltimore, MD) Mon, Mar 14, 2016 8:00am 08:00 Fri, Mar 18, 2016 9:00am 09:00 Baltimore Convention Center 1 W Pratt St Baltimore, MD 21201 United States Bryan Beckingham and Daniel Miller, "Quantitative Monitoring of Membrane Permeation via In-Situ ATR FT-IR Spectroscopy" Abstract: Ion conducting membranes are of interest for various energy applications including fuel cells and artificial

  3. DOE - Office of Legacy Management -- Armco-Rustless Iron and Steel - MD 03

    Office of Legacy Management (LM)

    Armco-Rustless Iron and Steel - MD 03 FUSRAP Considered Sites Site: Armco-Rustless Iron & Steel (MD.03 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: ARMCO Baltimore Works MD.03-1 Location: Baltimore , Maryland MD.03-2 Evaluation Year: 1987 MD.03-1 Site Operations: Test rolling of uranium billets. MD.03-2 MD.03-3 Site Disposition: Eliminated - Potential for contamination remote due to limited quantity of material and duration of test MD.03-1

  4. VA VT CT RI MT WY CO ID UT OR NV CA AZ NM WA TN WV NC AR OK

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

    2 1 Locations of Smart Grid Demonstration and Large-Scale Energy Storage Projects NH 32 Awards Support Projects in 24 States 6 11 MA

  5. VA VT CT RI MT WY CO ID UT OR NV CA AZ NM WA TN WV NC AR OK

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

    2 1 Locations of Smart Grid Demonstration and Large-Scale Energy Storage Projects NH 32 Awards Support Projects in 24 States 6 11 MA

  6. Transportation Data Programs:Transportation Energy Data Book,Vehicle Technologies Market Report, and VT Fact of the Week

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

    Energy Data Book, Vehicle Technologies Market Report, and VT Fact of the Week Stacy C. Davis, P.I. Oak Ridge National Laboratory May 16, 2013 This presentation does not contain any proprietary, confidential, or otherwise restricted information Project ID# VAN009 2 ORNL - Stacy C. Davis | Project ID# VAN009 Overview * Project start date: October 2012 * Project end date: September 2013 * Percent complete: 80% * Barriers addressed - Multi-Year Program Plan 2011 - 2015 Section 2.6 Outreach,

  7. Cummins MD & HD Accessory Hybridization CRADA -Annual Report FY15

    SciTech Connect (OSTI)

    Deter, Dean D.

    2015-10-01

    There are many areas of MD and HD vehicles that can be improved by new technologies and optimized control strategies. Component optimization and idle reduction need to be addressed, this is best done by a two part approach that includes selecting the best component technology, and/or architecture, and optimized controls that are vehicle focused. While this is a common focus in the light duty industry it has been gaining momentum in the MD and HD market as the market gets more competitive and the regulations become more stringent. When looking into systems optimization and idle reduction technologies, affected vehicle systems must first be considered, and if possible included in the new architecture to get the most benefit out of these new capabilities. Typically, when looking into idle reduction or component optimization for MD/HD, the vehicle s accessories become a prime candidate for electrification or hybridization. While this has already been studied on light duty vehicles (especially on hybrids and electric vehicles) it has not made any head way or market penetration in most MD and HD applications. If hybrids and electric MD and HD vehicles begin to break into the market this would be a necessary step into the ability to make those vehicles successful by allowing for independent, optimized operation separate from the engine.

  8. CoMD Implementation Suite in Emerging Programming Models

    Energy Science and Technology Software Center (OSTI)

    2014-09-23

    CoMD-Em is a software implementation suite of the CoMD [4] proxy app using different emerging programming models. It is intended to analyze the features and capabilities of novel programming models that could help ensure code and performance portability and scalability across heterogeneous platforms while improving programmer productivity. Another goal is to provide the authors and venders with some meaningful feedback regarding the capabilities and limitations of their models. The actual application is a classical molecularmore » dynamics (MD) simulation using either the Lennard-Jones method (LJ) or the embedded atom method (EAM) for primary particle interaction. The code can be extended to support alternate interaction models. The code is expected ro run on a wide class of heterogeneous hardware configurations like shard/distributed/hybrid memory, GPU's and any other platform supported by the underlying programming model.« less

  9. DOE - Office of Legacy Management -- Naval Ordnance Laboratory - MD 0-03

    Office of Legacy Management (LM)

    Laboratory - MD 0-03 FUSRAP Considered Sites Site: NAVAL ORDNANCE LABORATORY (MD.0-03 ) Eliminated from further consideration under FUSRAP - Referred to DOD Designated Name: Not Designated Alternate Name: Naval Ordnance Laboratory - White Oak Location: White Oak Area , Silver Spring , Maryland MD.0-03-1 MD.0-03-2 Evaluation Year: 1987 MD.0-03-2 Site Operations: Research and development - may have involved radioactive materials because the site was identified on a 1955 Accountability Station

  10. Measurement and Modeling of Spatial NH3 Storage Distributions...

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

    Modeling of Spatial NH3 Storage Distributions in a Commercial Small Port Cu Zeolite Urea SCR Catalyst Measurement and Modeling of Spatial NH3 Storage Distributions in a Commercial ...

  11. DOE - Office of Legacy Management -- Bendix Corp Frieze Division - MD 0-01

    Office of Legacy Management (LM)

    Corp Frieze Division - MD 0-01 FUSRAP Considered Sites Site: BENDIX CORP., FRIEZE DIVISION (MD.0-01 ) Eliminated from further consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Baltimore , Maryland MD.0-01-1 Evaluation Year: 1987 MD.0-01-3 Site Operations: Produced "classified units" believed to be electronics components - no radioactive materials involved. MD.0-01-1 MD.0-01-3 Site Disposition: Eliminated - No radioactive materials handled at this

  12. RADIATION PRESSURE DETECTION AND DENSITY ESTIMATE FOR 2011 MD

    SciTech Connect (OSTI)

    Micheli, Marco; Tholen, David J.; Elliott, Garrett T. E-mail: tholen@ifa.hawaii.edu

    2014-06-10

    We present our astrometric observations of the small near-Earth object 2011 MD (H ? 28.0), obtained after its very close fly-by to Earth in 2011 June. Our set of observations extends the observational arc to 73days, and, together with the published astrometry obtained around the Earth fly-by, allows a direct detection of the effect of radiation pressure on the object, with a confidence of 5?. The detection can be used to put constraints on the density of the object, pointing to either an unexpectedly low value of ?=(640330)kg m{sup ?3} (68% confidence interval) if we assume a typical probability distribution for the unknown albedo, or to an unusually high reflectivity of its surface. This result may have important implications both in terms of impact hazard from small objects and in light of a possible retrieval of this target.

  13. BERAC Meeting February 18 - 19, 2009 North Bethesda, MD | U.S. DOE Office

    Office of Science (SC) Website

    of Science (SC) 18 - 19, 2009 North Bethesda, MD Biological and Environmental Research Advisory Committee (BERAC) BERAC Home Meetings BERAC Minutes BERAC Minutes Archive Members Charges/Reports Charter .pdf file (135KB) BER Committees of Visitors Federal Advisory Committees BER Home Meetings BERAC Meeting February 18 - 19, 2009 North Bethesda, MD Print Text Size: A A A FeedbackShare Page Biological and Environmental Research Advisory Committee Meeting February 18-19, 2009 North Bethesda, MD

  14. BERAC Meeting February 23-24, 2010 Gaithersburg, MD | U.S. DOE Office of

    Office of Science (SC) Website

    Science (SC) 23-24, 2010 Gaithersburg, MD Biological and Environmental Research Advisory Committee (BERAC) BERAC Home Meetings BERAC Minutes BERAC Minutes Archive Members Charges/Reports Charter .pdf file (135KB) BER Committees of Visitors Federal Advisory Committees BER Home Meetings BERAC Meeting February 23-24, 2010 Gaithersburg, MD Print Text Size: A A A FeedbackShare Page BERAC Meeting February 23-24,2010 Gaithersburg MD Agenda .pdf file (8KB) Presentations Patricia Dehmer .ppt file

  15. BERAC Meeting October 16, 2006 North Bethesda, MD | U.S. DOE Office of

    Office of Science (SC) Website

    Science (SC) October 16, 2006 North Bethesda, MD Biological and Environmental Research Advisory Committee (BERAC) BERAC Home Meetings BERAC Minutes BERAC Minutes Archive Members Charges/Reports Charter .pdf file (135KB) BER Committees of Visitors Federal Advisory Committees BER Home Meetings BERAC Meeting October 16, 2006 North Bethesda, MD Print Text Size: A A A FeedbackShare Page BERAC Meeting October 16, 2006 North Bethesda, MD Agenda .pdf file (8KB) Presentations Jerry Elwood .ppt file

  16. BERAC Meeting September 1-2, 2009 Gaithersburg, MD | U.S. DOE Office of

    Office of Science (SC) Website

    Science (SC) 1-2, 2009 Gaithersburg, MD Biological and Environmental Research Advisory Committee (BERAC) BERAC Home Meetings BERAC Minutes BERAC Minutes Archive Members Charges/Reports Charter .pdf file (135KB) BER Committees of Visitors Federal Advisory Committees BER Home Meetings BERAC Meeting September 1-2, 2009 Gaithersburg, MD Print Text Size: A A A FeedbackShare Page BERAC Meeting September 1-2, 2009 Gaithersburg, MD Agenda .pdf file (8KB) Presentations Patricia Dehmer .ppt file

  17. BERAC Meeting September 16-17, 2010 Gaithersburg, MD | U.S. DOE Office of

    Office of Science (SC) Website

    Science (SC) September 16-17, 2010 Gaithersburg, MD Biological and Environmental Research Advisory Committee (BERAC) BERAC Home Meetings BERAC Minutes BERAC Minutes Archive Members Charges/Reports Charter .pdf file (135KB) BER Committees of Visitors Federal Advisory Committees BER Home Meetings BERAC Meeting September 16-17, 2010 Gaithersburg, MD Print Text Size: A A A FeedbackShare Page BERAC Meeting September 16-17, 2010 Gaithersburg, MD Agenda .pdf file (8KB) Presentations Anna Palmisano

  18. BERAC Meeting, June 6-7, 2012 Gaithersburg, MD| U.S. DOE Office of Science

    Office of Science (SC) Website

    (SC) June 6-7, 2012 Gaithersburg, MD Biological and Environmental Research Advisory Committee (BERAC) BERAC Home Meetings BERAC Minutes BERAC Minutes Archive Members Charges/Reports Charter .pdf file (135KB) BER Committees of Visitors Federal Advisory Committees BER Home Meetings BERAC Meeting, June 6-7, 2012 Gaithersburg, MD Print Text Size: A A A FeedbackShare Page BERAC Meeting June 6-7, 2012 Gaithersburg, MD Agenda .pdf file (424KB) Presentations Sharlene Weatherwax, BER Associate

  19. BERAC Meeting, October 6-7, 2011, Rockville, MD| U.S. DOE Office of Science

    Office of Science (SC) Website

    (SC) Meeting, October 6-7, 2011, Rockville, MD Biological and Environmental Research Advisory Committee (BERAC) BERAC Home Meetings BERAC Minutes BERAC Minutes Archive Members Charges/Reports Charter .pdf file (135KB) BER Committees of Visitors Federal Advisory Committees BER Home Meetings BERAC Meeting, October 6-7, 2011, Rockville, MD Print Text Size: A A A FeedbackShare Page BERAC Meeting October 6-7, 2011 Rockville, MD Agenda .docx file (13KB) Presentations Sharlene Weatherwax, State of

  20. DOE Zero Energy Ready Home Case Study, Nexus EnergyHomes, Frederick, MD,

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

    Production | Department of Energy Study, Nexus EnergyHomes, Frederick, MD, Production DOE Zero Energy Ready Home Case Study, Nexus EnergyHomes, Frederick, MD, Production This urban infill community features a package of SIP walls, geothermal heat pumps, solar PV, and a proprietary energy management system. Nexus EnergyHomes - Frederick, MD (1.56 MB) More Documents & Publications Building America Whole-House Solutions for New Homes: Nexus EnergyHomes - Frederick, Maryland DOE Zero Energy

  1. Public Service Co of NH | Open Energy Information

    Open Energy Info (EERE)

    EversourceNH Outage Hotline: 800-662-7764 Outage Map: www.eversource.comContentgen Green Button Access: Implemented Green Button Landing Page: www.psnh.comSaveEnergyMo...

  2. Secretary Bodman Highlights President Bush's Solar America Initiative in Merrimack, NH

    Broader source: Energy.gov [DOE]

    MERRIMACK , NH - Department of Energy (DOE) Secretary Samuel W. Bodman joined Representatives Jeb Bradley (NH-1st) and Charles Bass (NH-2nd) to highlight President Bush's Solar America Initiative,...

  3. F-1 U.S. Energy Information Administration | Annual Energy Outlook...

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    Central West North Central East North Central Mountain AK WA MT WY ID NV UT CO AZ NM TX OK IA KS MO IL IN KY TN MS AL FL GA SC NC WV PA NJ MD DE NY CT VT ME RI MA NH VA WI MI OH...

  4. Chapter V

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

    ... AL LA GA AR NC NY MI PA IN VA MS TN KY OH ME SC WV MD VT MA NH CT NJ DE R I DC b Coal Fired Power Plant Supplied by the Powder River Basin Powder River Basin 0 220 110 Miles The ...

  5. BERAC Meeting May 14-15, 2007 North Bethesda, MD | U.S. DOE Office of

    Office of Science (SC) Website

    Science (SC) 4-15, 2007 North Bethesda, MD Biological and Environmental Research Advisory Committee (BERAC) BERAC Home Meetings BERAC Minutes BERAC Minutes Archive Members Charges/Reports Charter .pdf file (135KB) BER Committees of Visitors Federal Advisory Committees BER Home Meetings BERAC Meeting May 14-15, 2007 North Bethesda, MD Print Text Size: A A A FeedbackShare Page BERAC Meeting May 14-15, 2007 North Bethesda, MD Agenda .pdf file (10KB) Presentations Joyce Penner .ppt file (74KB),

  6. BERAC Meeting May 19-20, 2008 Hilton Hotel Gaithersburg, MD | U.S. DOE

    Office of Science (SC) Website

    Office of Science (SC) 9-20, 2008 Hilton Hotel Gaithersburg, MD Biological and Environmental Research Advisory Committee (BERAC) BERAC Home Meetings BERAC Minutes BERAC Minutes Archive Members Charges/Reports Charter .pdf file (135KB) BER Committees of Visitors Federal Advisory Committees BER Home Meetings BERAC Meeting May 19-20, 2008 Hilton Hotel Gaithersburg, MD Print Text Size: A A A FeedbackShare Page BERAC Meeting May 19-20, 2008 Hilton Hotel Gaithersburg, MD Agenda .pdf file (17KB)

  7. Vehicle Technologies Office Merit Review 2015: Cummins MD & HD Accessory Hybridization CRADA

    Office of Energy Efficiency and Renewable Energy (EERE)

    Presentation given by Oak Ridge National Laboratory at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about Cummins MD &...

  8. Vehicle Technologies Office Merit Review 2014: Cummins MD & HD Accessory Hybridization CRADA

    Broader source: Energy.gov [DOE]

    Presentation given by Oak Ridge National Laboratory at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about Cummins MD &...

  9. BERAC Meeting September 5 2008 Gaithersburg MD | U.S. DOE Office of Science

    Office of Science (SC) Website

    (SC) 5 2008 Gaithersburg MD Biological and Environmental Research Advisory Committee (BERAC) BERAC Home Meetings BERAC Minutes BERAC Minutes Archive Members Charges/Reports Charter .pdf file (135KB) BER Committees of Visitors Federal Advisory Committees BER Home Meetings BERAC Meeting September 5 2008 Gaithersburg MD Print Text Size: A A A FeedbackShare Page BER September 5, 2008 Arlington, VA Agenda Presentations Peg Riley .ppt file (357KB), Life and Medical Sciences Division Committee of

  10. Grants to Help N.H. Towns Conserve Energy | Department of Energy

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

    Grants to Help N.H. Towns Conserve Energy Grants to Help N.H. Towns Conserve Energy March 19, 2010 - 4:17pm Addthis New Hampshire has a plan to lower expenses and create jobs, all ...

  11. Progress on Acidic Zirconia Mixed Oxides for Efficient NH3-SCR...

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

    Zirconia Mixed Oxides for Efficient NH3-SCR Catalysis Progress on Acidic Zirconia Mixed Oxides for Efficient NH3-SCR Catalysis Details progress on non-zeolitic zirconia-based ...

  12. Cove Point, MD Natural Gas Liquefied Natural Gas Imports from Nigeria

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

    (Million Cubic Feet) Nigeria (Million Cubic Feet) Cove Point, MD Natural Gas Liquefied Natural Gas Imports from Nigeria (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2011 2,362 2013 2,590 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S. Liquefied Natural Gas Imports by Point of Entry Cove Point, MD LNG Imports from

  13. Computation of shear viscosity of colloidal suspensions by SRD-MD

    SciTech Connect (OSTI)

    Laganapan, A. M. K.; Videcoq, A. Bienia, M.; Ala-Nissila, T.; Bochicchio, D.; Ferrando, R.

    2015-04-14

    The behaviour of sheared colloidal suspensions with full hydrodynamic interactions (HIs) is numerically studied. To this end, we use the hybrid stochastic rotation dynamics-molecular dynamics (SRD-MD) method. The shear viscosity of colloidal suspensions is computed for different volume fractions, both for dilute and concentrated cases. We verify that HIs help in the collisions and the streaming of colloidal particles, thereby increasing the overall shear viscosity of the suspension. Our results show a good agreement with known experimental, theoretical, and numerical studies. This work demonstrates the ability of SRD-MD to successfully simulate transport coefficients that require correct modelling of HIs.

  14. Array-type NH.sub.3 sensor

    DOE Patents [OSTI]

    West, David Lawrence; Montgomery, Frederick Charles; Armstrong, Timothy R; Warmack, Robert J

    2013-12-31

    An array-type sensor that senses NH.sub.3 includes non-Nernstian sensing elements constructed from metal and/or metal-oxide electrodes on an O.sub.2 ion conducting substrate. In one example sensor, one electrode may be made of platinum, another electrode may be made of manganese (III) oxide (Mn.sub.2O.sub.3), and another electrode may be made of tungsten trioxide (WO.sub.3). Some sensing elements may further include an electrode made of La.sub.0.6Sr.sub.0.4Co.sub.0.2Fe.sub0.8O.sub.3 and another electrode made of LaCr.sub.0.95.Mg.sub.0.05O.sub.3.

  15. Hollow-fiber gas-membrane process for removal of NH{sub 3} from solution of NH{sub 3} and CO{sub 2}

    SciTech Connect (OSTI)

    Qin, Y.; Cabral, J.M.S.; Wang, S.

    1996-07-01

    A hollow-fiber supported gas membrane process for the separation of NH{sub 3} from aqueous solutions containing both NH{sub 3} and CO{sub 2} was investigated theoretically and experimentally. A lumen laminar flow and radial diffusion model was applied to calculate the membrane wall transfer coefficient from the data stripping a single volatile component, NH{sub 3} or CO{sub 2}, from their individual aqueous solutions. Influence of the type of membranes and operating conditions on mass-transfer rate were discussed, especially the influence of the membrane transfer coefficient on the film mass-transfer coefficient in the lumen. Appropriate configurations of the hollow-fiber modules for stripping of a single component were analyzed to optimize mass transfer. To predict the stripping of NH{sub 3} from a solution containing NH{sub 3} and CO{sub 2}, a mathematical model incorporating local chemical equilibria and Nernst-Planck diffusion was developed to describe the mass transport. The models described the experimental data fairly well. The experimental results showed that the supported gas membrane process can be used to remove NH{sub 3} effectively from aqueous media containing NH{sub 3} and CO{sub 2}.

  16. DOE Zero Energy Ready Home Case Study 2013: Nexus EnergyHomes, Frederick, MD

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

    Nexus EnergyHomes Frederick, MD BUILDING TECHNOLOGIES OFFICE The U.S. Department of Energy invites home builders across the country to meet the extraordinary levels of excellence and quality specifi ed in DOE's Zero Energy Ready Home program (formerly known as Challenge Home). Every DOE Zero Energy Ready home starts with ENERGY STAR for Homes Version 3 for an energy-effi cient home built on a solid foundation of building science research. Advanced technologies are designed in to give you

  17. Modeling Study of SCR/PGM Interactions in NH3 Slip Catalysts | Department

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

    of Energy Study of SCR/PGM Interactions in NH3 Slip Catalysts Modeling Study of SCR/PGM Interactions in NH3 Slip Catalysts The focus of this research is on the optimization of NH3 slip catalyst performance by simulating the behavior of different SCR/PGM configurations. p-19_nova.pdf (250.42 KB) More Documents & Publications Experimental and Modelling Study of the Effect of Diffusional Limitations on the NH3 SCR Activity Selective ammonia slip catalyst enabling highly efficient NOx

  18. EA-1801: Granite Reliable Power Wind Park Project in Coos County, NH |

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

    Department of Energy 01: Granite Reliable Power Wind Park Project in Coos County, NH EA-1801: Granite Reliable Power Wind Park Project in Coos County, NH June 25, 2010 EA-1801: Final Environmental Impact Granite Reliable Power Wind Project, Coos County, New Hampshire July 23, 2010 EA-1801: Finding of No Significant Impact Granite Reliable Power Wind Project, Coos County, New Hampshire

  19. U.S. Natural Gas Imports by Pipeline from Mexico

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    St. Clair, MI International Falls, MN Noyes, MN Warroad, MN Babb, MT Havre, MT Port of Del Bonita, MT Port of Morgan, MT Sweetgrass, MT Whitlash, MT Portal, ND Sherwood, ND Pittsburg, NH Champlain, NY Grand Island, NY Massena, NY Niagara Falls, NY Waddington, NY Sumas, WA Highgate Springs, VT North Troy, VT U.S. Pipeline Total from Mexico Ogilby, CA Otay Mesa, CA Alamo, TX El Paso, TX Galvan Ranch, TX Hidalgo, TX McAllen, TX Penitas, TX LNG Imports from Algeria Cove Point, MD Everett, MA Lake

  20. U.S. Total Imports

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

    St. Clair, MI International Falls, MN Noyes, MN Warroad, MN Babb, MT Havre, MT Port of Del Bonita, MT Port of Morgan, MT Sweetgrass, MT Whitlash, MT Portal, ND Sherwood, ND Pittsburg, NH Champlain, NY Grand Island, NY Massena, NY Niagara Falls, NY Waddington, NY Sumas, WA Highgate Springs, VT North Troy, VT U.S. Pipeline Total from Mexico Ogilby, CA Otay Mesa, CA Alamo, TX El Paso, TX Galvan Ranch, TX Hidalgo, TX McAllen, TX Penitas, TX LNG Imports from Algeria Cove Point, MD Everett, MA Lake

  1. Microsoft Word - figure_14.doc

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

    42 Figure 14. Net interstate movements, imports, and exports of natural gas in the United States, 2014 (million cubic feet) Norway Trinidad/ Tobago Yemen Trinidad/ Tobago Interstate Movements Not Shown on Map From Volume To From Volume To CT RI Other TX IN MA RI MA MA CT VA DC MD DC VT MA NH MA WA M T I D O R W Y ND SD C A N V U T CO NE KS A Z NM OK TX MN WI MI IA I L IN OH MO AR M S AL GA T N KY FL SC NC WV MD DE VA PA NJ NY CT RI MA VT NH ME LA HI A K Mexico C a n a d a C a n a d a Canada

  2. NATIONAL HARBOR, Md.,May 21, 2013-Los Alamos National Laboratory Director

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

    director echoes cyber concerns May 21, 2013 Securing the grid will be key for energy security going forward NATIONAL HARBOR, Md.,May 21, 2013-Los Alamos National Laboratory Director Charlie McMillan told a gathering of energy executives today that securing the electrical grid is a major concern now and it's only becoming more serious. "If you look back at the last year, there were several hundred attacks on critical infrastructure," McMillan said, addressing attendees at the Deloitte

  3. Cove Point, MD Natural Gas Liquefied Natural Gas Imports from Norway

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

    (Million Cubic Feet) Norway (Million Cubic Feet) Cove Point, MD Natural Gas Liquefied Natural Gas Imports from Norway (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2011 2,909 5,810 2,900 2014 2,621 2,995 2015 3,097 3,105 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S. Liquefied Natural Gas Imports by Point of

  4. Cove Point, MD Natural Gas Liquefied Natural Gas Imports from Trinidad and

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

    Tobago (Million Cubic Feet) Trinidad and Tobago (Million Cubic Feet) Cove Point, MD Natural Gas Liquefied Natural Gas Imports from Trinidad and Tobago (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2012 2,790 2013 2,776 2014 2,984 2,986 2015 2,844 3,045 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S. Liquefied

  5. Cove Point, MD Natural Gas Liquefied Natural Gas Total Imports (Million

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

    Cubic Feet) Total Imports (Million Cubic Feet) Cove Point, MD Natural Gas Liquefied Natural Gas Total Imports (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2014 2,984 2,621 5,981 2015 2,844 3,045 3,097 3,105 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S. Liquefied Natural Gas Imports by Point of Entry Cove Point,

  6. Price of Cove Point, MD Natural Gas LNG Imports from Algeria (Dollars per

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

    Thousand Cubic Feet) Algeria (Dollars per Thousand Cubic Feet) Price of Cove Point, MD Natural Gas LNG Imports from Algeria (Dollars per Thousand Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's NA 2000's NA NA NA 4.79 6.32 8.38 8.48 7.50 -- -- 2010's -- - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring

  7. Price of Cove Point, MD Natural Gas LNG Imports from Egypt (Nominal Dollars

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

    per Thousand Cubic Feet) Egypt (Nominal Dollars per Thousand Cubic Feet) Price of Cove Point, MD Natural Gas LNG Imports from Egypt (Nominal Dollars per Thousand Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 2000's -- 11.66 7.83 7.22 7.46 4.20 2010's 5.49 -- -- -- -- - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016

  8. DEPARTMENT OF HEALTH AN~~.N~dtAN, MD. Y.P.H.

    Office of Legacy Management (LM)

    ,' ,...- -., -.- . . we#lnty..: - DEPARTMENT OF HEALTH AN~~.N~dtAN, MD. Y.P.H. April 30, 1979 . _-- _' . U.S.E.P.A. Radiation Branch 26 Federal Plaz;a, Boom 9079 New York, N. Y. 10007 Attention: Miss Feldman:, Gentlemen: In accordance with your request to Calvin E. Weber, P.E., Assistant Commissioner of Health for Environmental Quality, I am forwarding a copy of a report prepared by him concerning a radiation survey conducted in the vicinity of the former Canadian Radium and Uranium Corpora+on

  9. 2013 Annual Merit Review Results Report - Technology Integration |

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

    Department of Energy Technology Integration 2013 Annual Merit Review Results Report - Technology Integration Merit review of DOE Vehicle Technologies research activities 2013_amr_08.pdf (3.15 MB) More Documents & Publications EV Community Readiness projects: New York City and Lower Hudson Valley Clean Communities, Inc. (NY, MA, PA); NYSERDA (ME, NH, VT, MA, RI, CT, NY, NJ, PA, DE, MD, DC) Vehicle Technologies Office Merit Review 2014: Penn State DOE Graduate GATE Program for In-Vehicle,

  10. Simulation of an Ar/NH{sub 3} low pressure magnetized direct current discharge

    SciTech Connect (OSTI)

    Li Zhi [School of Science, University of Science and Technology Liaoning, Anshan 114051 (China); School of Physics and Optoelectronic Engineering, Dalian University of Technology, Dalian 116024 (China); Zhao Zhen [School of Chemistry and Life Science, Anshan Normal University, Anshan 114007 (China); School of Chemical Engineering, University of Science and Technology Liaoning, Anshan 114051 (China); Li Xuehui [Physiccal Science and Technical College, Dalian University, Dalian 116622 (China)

    2013-01-15

    A two-dimensional fluid model has been used to investigate the properties of plasma in an Ar/NH{sub 3} low pressure magnetized direct current discharge. We compared the simulation results with the theoretical and experimental results of the other gas discharge in which the magnetic field is considered. Results that obtained using this method are in good agreement with literature. The simulation results show that the positive ammonia ion density follows the positive argon ion density. The Ar{sub 2}{sup +} density is slightly higher than the Ar{sup +} density at 100 mTorr. The largest ammonia ion is NH{sub 3}{sup +} ion, followed by NH{sub 2}{sup +}, NH{sub 4}{sup +}, and NH{sup +} ions. The contribution of NH{sup +} ions to the density of the positive ammonia ions is marginal. The influence of pressure on the plasma discharge has been studied by simulation, and the mechanisms have been discussed. The average plasma density increases as pressure increased. The plasma density appears to be more inhomogeneous than that at the lower pressure. The ratio of charge particles changed as pressure increased. The Ar{sup +} density is slightly higher than the Ar{sub 2}{sup +} density as the pressure increased. It makes NH{sub 4}{sup +} ratio increase as pressure increased. It shows that the electron temperature drops with rising pressure by numerical calculation.

  11. NH3 generation over commercial Three-Way Catalysts and Lean-NOx...

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

    over commercial Three-Way Catalysts and Lean-NOx Traps NH3 generation over commercial Three-Way Catalysts and Lean-NOx Traps Research to identify most promising catalytic ...

  12. Crystal structure and characterization of the novel NH{sup +} Midline-Horizontal-Ellipsis N hydrogen bonded polar crystal [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}

    SciTech Connect (OSTI)

    Wojtas, M.; Gagor, A.; Czupinski, O.; Medycki, W.; Jakubas, R.

    2012-03-15

    Dielectric properties and phase transitions of the piperazinium tetrafluoroborate ([NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}], abbreviated as PFB) crystal are related to the one-dimensional arrangement of the cations linked by the bistable NH{sup +} Midline-Horizontal-Ellipsis N hydrogen bonds and molecular motions of the [BF{sub 4}]{sup -} units. The crystal structure of [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}] is monoclinic at room temperature with the polar space group Pn. The polar/acentric properties of the room temperature phase IV have been confirmed by the piezoelectric and pyroelectric measurements. DSC measurements show that the compound undergoes three first-order structural phase transitions: at 421/411 K (heating/cooling), at 386/372 K and at 364/349 K. {sup 1}H and {sup 19}F NMR measurements indicate the reorientational motions of [BF{sub 4}]{sup -} anions and piperazinium(+) cations as well as the proton motion in the hydrogen-bonded chains of piperazine along the [001] direction. Over the phase I the isotropic reorientational motions or even self-diffusion of the cations and anions are expected. The conductivity measurements in the vicinity of the II-I PT indicate a superionic phase over the phase I. - Graphical abstract: It must be emphasized that the titled compound represents the first organic-inorganic simple salt containing the single-protonated piperazinium cation which was studied by means of the wide variety of experimental techniques. A survey of Cambridge Structural Database (CSD version 5.32 (November 2010) and updates (May 2011)) for structure containing the piperazinium cations yields 248 compounds with the doubly protonated piperazinium(2+) cations and only eight compounds with the singly protonated piperazinium(+) cations. Among these structures only one is the hybrid organic-inorganic material. This is piperazinium nitrate characterized structurally. The crystal packing of [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}], phase IV. The

  13. Study of On-Board Ammonia (NH3) Generation for SCR Operation | Department

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

    of Energy Study of On-Board Ammonia (NH3) Generation for SCR Operation Study of On-Board Ammonia (NH3) Generation for SCR Operation The feasibility of on-board ammonia generation was examined using synthesized exhaust compositions deer09_wong.pdf (82.51 KB) More Documents & Publications On-Board Ammonia Generation Using Delphi Diesel Fuel Reformer Delphi On-board Ammonia Generation (OAG) Reductant Utilization in a LNT + SCR System

  14. A SCR Model Calibration Approach with Spatially Resolved Measurements and NH3 Storage Distributions

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

    Song, Xiaobo; Parker, Gordon G.; Johnson, John H.; Naber, Jeffrey D.; Pihl, Josh A.

    2014-11-27

    The selective catalytic reduction (SCR) is a technology used for reducing NO x emissions in the heavy-duty diesel (HDD) engine exhaust. In this study, the spatially resolved capillary inlet infrared spectroscopy (Spaci-IR) technique was used to study the gas concentration and NH3 storage distributions in a SCR catalyst, and to provide data for developing a SCR model to analyze the axial gaseous concentration and axial distributions of NH3 storage. A two-site SCR model is described for simulating the reaction mechanisms. The model equations and a calculation method was developed using the Spaci-IR measurements to determine the NH3 storage capacity andmore » the relationships between certain kinetic parameters of the model. Moreover, a calibration approach was then applied for tuning the kinetic parameters using the spatial gaseous measurements and calculated NH3 storage as a function of axial position instead of inlet and outlet gaseous concentrations of NO, NO2, and NH3. The equations and the approach for determining the NH3 storage capacity of the catalyst and a method of dividing the NH3 storage capacity between the two storage sites are presented. It was determined that the kinetic parameters of the adsorption and desorption reactions have to follow certain relationships for the model to simulate the experimental data. Finally, the modeling results served as a basis for developing full model calibrations to SCR lab reactor and engine data and state estimator development as described in the references (Song et al. 2013a, b; Surenahalli et al. 2013).« less

  15. Structures and phases transition in hexylenediammonium pentachlorobismuthate (III) [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} crystal

    SciTech Connect (OSTI)

    Ouasri, A.; Jeghnou, H.; Rhandour, A.; Roussel, P.

    2013-04-15

    The crystal structure of [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} was determined at: 223 K [P2{sub 1}2{sub 1}2{sub 1} (Z=4), a=7.788(1), b=13.886(2), c=13.972(2) Å], 308 K [P2{sub 1}/n (Z=8), a=19.972(3), b=7.772(2), c=20.166(3) Å, β=92.32(1)°] and 378 K [Pnma (Z=4), a=13911(2), b=7.834(7), c=14.457(2) Å]. It was consisted of isolated (BiCl{sub 5}{sup 2−}){sub n} anionic chains composed by distorted octahedra BiCl{sub 6}{sup 3−} sharing two corners and {sup +}NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}{sup +} cations placed in the free cavities between anionic chains. In the β phase, there are two crystallographically inequivalent cations and two one-dimensional anionic chains (BiCl{sub 5}{sup 2−}){sub n} in which BiCl{sub 6}{sup 3−} octahedra was doubly tilted and simply tilted. Two structural phase transitions at low and high temperatures α (P2{sub 1}2{sub 1}2{sub 1}, 223 K)↔β (P2{sub 1}/n, 308 K)↔γ (Pnma, 373 K) are observed and discussed. It was crystallographically showed that both anionic and cationic entities contribute to phase transitions mechanisms. The BiCl{sub 6}{sup 3−} octahedra were found to posses significant distortions on decreasing temperature and became more distorted in α (223 K) phase. It is argued that these deformations are caused by weak to moderate N--H···Cl hydrogen bonding. - Graphical abstract: Projection of the crystal structure of [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} down the a axis at 208 K. Highlights: ► The crystal shows two phase transitions: α(223 K)↔β(308 K)↔γ(373 K). ► A discontinuous transition may be occurred between α and β phases. ► The α↔β and β↔γ phase transitions are of first order. ► Both anionic and cationic motions contribute to phase transition mechanisms. ► The BiCl{sub 6}{sup 3−} octahedra showed significant distortions on decreasing temperature.

  16. Numerical analysis of a mixture of Ar/NH{sub 3} microwave plasma chemical vapor deposition reactor

    SciTech Connect (OSTI)

    Li Zhi [School of Physics and Optoelectronic Engineering, Dalian University of Technology, Dalian 116024 (China); School of Science, University of Science and Technology Liaoning, Anshan 114051 (China); Zhao Zhen [Chemistry Department, Anshan Normal University, Anshan 114007 (China); School of Chemical Engineering, University of Science and Technology Liaoning, Anshan 114051 (China); Li Xuehui [School of Physics and Optoelectronic Engineering, Dalian University of Technology, Dalian 116024 (China); Physical Science and Technical College, Dalian University, Dalian 116622 (China)

    2012-06-01

    A two-dimensional fluid model has been used to investigate the properties of plasma in Ar/NH{sub 3} microwave electron cyclotron resonance discharge at low pressure. The electromagnetic field model solved by the three-dimensional Simpson method is coupled to a fluid plasma model. The finite difference method was employed to discrete the governing equations. 40 species (neutrals, radicals, ions, and electrons) are consisted in the model. In total, 75 electron-neutral, 43 electron-ion, 167 neutral-neutral, 129 ion-neutral, 28 ion-ion, and 90 3-body reactions are used in the model. According to the simulation, the distribution of the densities of the considered plasma species has been showed and the mechanisms of their variations have been discussed. It is found that the main neutrals (Ar*, Ar**, NH{sub 3}{sup *}, NH, H{sub 2}, NH{sub 2}, H, and N{sub 2}) are present at high densities in Ar/NH{sub 3} microwave electron cyclotron resonance discharge when the mixing ratio of Ar/NH{sub 3} is 1:1 at 20 Pa. The density of NH is more than that of NH{sub 2} atom. And NH{sub 3}{sup +} are the most important ammonia ions. But the uniformity of the space distribution of NH{sub 3}{sup +} is lower than the other ammonia ions.

  17. Thermal Durability of Cu-CHA NH3-SCR Catalysts for Diesel NOx Reduction

    SciTech Connect (OSTI)

    Schmieg, Steven J.; Oh, Se H.; Kim, Chang H.; Brown, David B.; Lee, Jong H.; Peden, Charles HF; Kim, Do Heui

    2012-04-30

    Multiple catalytic functions (NOx conversion, NO and NH3 oxidation, NH3 storage) of a commercial Cu-zeolite urea/NH3-SCR catalyst were assessed in a laboratory fixed-bed flow reactor system after differing degrees of hydrothermal aging. Catalysts were characterized by using x-ray diffraction (XRD), 27Al solid state nuclear magnetic resonance (NMR) and transmission electron microscopy (TEM) / energy dispersive X-ray (EDX) spectroscopy to develop an understanding of the degradation mechanisms during catalyst aging. The catalytic reaction measurements of laboratory-aged catalysts were performed, which allows us to obtain a universal curve for predicting the degree of catalyst performance deterioration as a function of time at each aging temperature. Results show that as the aging temperature becomes higher, the zeolite structure collapses in a shorter period of time after an induction period. The decrease in SCR performance was explained by zeolite structure destruction and/or Cu agglomeration, as detected by XRD/27Al NMR and by TEM/EDX, respectively. Destruction of the zeolite structure and agglomeration of the active phase also results in a decrease in the NO/NH3 oxidation activity and the NH3 storage capacity of the catalyst. Selected laboratory aging conditions (16 h at 800oC) compare well with a 135,000 mile vehicle-aged catalyst for both performance and characterization criteria.

  18. Photolysis of solid NH{sub 3} and NH{sub 3}-H{sub 2}O mixtures at 193 nm

    SciTech Connect (OSTI)

    Loeffler, M. J.; Baragiola, R. A.

    2010-12-07

    We have studied UV photolysis of solid ammonia and ammonia-dihydrate samples at 40 K, using infrared spectroscopy, mass spectrometry, and microgravimetry. We have shown that in the pure NH{sub 3} sample, the main species ejected are NH{sub 3}, H{sub 2}, and N{sub 2}, where the hydrogen and nitrogen increase with laser fluence. This increase in N{sub 2} ejection with laser fluence explains the increase in mass loss rate detected by a microbalance. In contrast, for the ammonia-water mixture, we see very weak signals of H{sub 2} and N{sub 2} in the mass spectrometer, consistent with the very small mass loss during the experiment and with a <5% decrease in the NH{sub 3} infrared absorption bands spectroscopy after a fluence of {approx}3 x 10{sup 19} photons/cm{sup 2}. The results imply that ammonia-ice mixtures in the outer solar system are relatively stable under solar irradiation.

  19. A Review & Assessment of Current Operating Conditions Allowable Stresses in ASME Section III Subsection NH

    SciTech Connect (OSTI)

    R. W. Swindeman

    2009-12-14

    The current operating condition allowable stresses provided in ASME Section III, Subsection NH were reviewed for consistency with the criteria used to establish the stress allowables and with the allowable stresses provided in ASME Section II, Part D. It was found that the S{sub o} values in ASME III-NH were consistent with the S values in ASME IID for the five materials of interest. However, it was found that 0.80 S{sub r} was less than S{sub o} for some temperatures for four of the materials. Only values for alloy 800H appeared to be consistent with the criteria on which S{sub o} values are established. With the intent of undertaking a more detailed evaluation of issues related to the allowable stresses in ASME III-NH, the availabilities of databases for the five materials were reviewed and augmented databases were assembled.

  20. NH{sub 3} sensor based on CSA doped PANi-SnO{sub 2} nanohybrid

    SciTech Connect (OSTI)

    Khuspe, G. D.; Navale, S. T.; Chougule, M. A.; Mulik, R. N.; Godse, P. R.; Patil, V. B.; Sen, Shashwati

    2014-04-24

    The PANi-SnO{sub 2} hybrid nanocomposite based thin films doped with 10–50 wt % CSA were deposited on the glass substrates using the spin coating technique. The sensor response in relation to the CSA doping concentration and the gas concentration has been systematically studied. A significant sensitivity (91%) towards 100 ppm NH{sub 3} operating at room temperature is observed for the 30 wt % CSA doped PANi-SnO2 nanohybrid. The sensing mechanism of CSA doped PANi-SnO{sub 2} materials to NH{sub 3} was presumed to be the effect of p–n heterojunctions.

  1. Evaluation of NH3-SCR Catalyst Technology on a 250-kW Stationary Diesel

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

    Genset | Department of Energy NH3-SCR Catalyst Technology on a 250-kW Stationary Diesel Genset Evaluation of NH3-SCR Catalyst Technology on a 250-kW Stationary Diesel Genset 2005 Diesel Engine Emissions Reduction (DEER) Conference Presentations and Posters 2005_deer_malyala.pdf (164.77 KB) More Documents & Publications Two Catalyst Formulations - One Solution for NOx After-treatment Systems Engine and Reactor Evaluations of HC-SCR for Diesel NOx Reduction Development of Optimal Catalyst

  2. NH3 generation over commercial Three-Way Catalysts and Lean-NOx Traps |

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

    Department of Energy generation over commercial Three-Way Catalysts and Lean-NOx Traps NH3 generation over commercial Three-Way Catalysts and Lean-NOx Traps Research to identify most promising catalytic formulations and operation for the in-situ generation of NH3, storage on a downstream SCR catalyst, and utilized to reduce the remaining NOx deer12_toops.pdf (3.08 MB) More Documents & Publications Emissions Control for Lean Gasoline Engines Emissions Control for Lean Gasoline Engines

  3. Progress on Acidic Zirconia Mixed Oxides for Efficient NH3-SCR Catalysis |

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

    Department of Energy Acidic Zirconia Mixed Oxides for Efficient NH3-SCR Catalysis Progress on Acidic Zirconia Mixed Oxides for Efficient NH3-SCR Catalysis Details progress on non-zeolitic zirconia-based mixed oxides as promising new SCR catalyst materials and results of engine bench testing of full-size SCR prototype confirms Details progress on non-zeolitic zirconia-based mixed oxides as promising new SCR catalyst materials and results of engine bench testing of full-size SCR prototype

  4. Investigation on thermal evaporated CH{sub 3}NH{sub 3}PbI{sub 3} thin films

    SciTech Connect (OSTI)

    Li, Youzhen; Xu, Xuemei; Yang, Junliang; Wang, Chenggong; Wang, Congcong; Gao, Yongli; Xie, Fangyan

    2015-09-15

    CH{sub 3}NH{sub 3}I, PbI{sub 2} and CH{sub 3}NH{sub 3}PbI{sub 3} films were fabricated by evaporation and characterized with X-ray Photoelectron Spectroscopy (XPS) and X-ray diffraction (XRD). The XPS results indicate that the PbI{sub 2} and CH{sub 3}NH{sub 3}PbI{sub 3} films are more uniform and stable than the CH{sub 3}NH{sub 3}I film. The atomic ratio of the CH{sub 3}NH{sub 3}I, PbI{sub 2} and CH{sub 3}NH{sub 3}PbI{sub 3} films are C:N:I=1.00:1.01:0.70, Pb:I= 1.00:1.91 and C: N: Pb: I = 1.29:1.07:1.00:2.94, respectively. The atomic ratio of CH{sub 3}NH{sub 3}PbI{sub 3} is very close to that of the ideal perovskite. Small angle x-ray diffraction results demonstrate that the as evaporated CH{sub 3}NH{sub 3}PbI{sub 3} film is crystalline. The valence band maximum (VBM) and work function (WF) of the CH{sub 3}NH{sub 3}PbI{sub 3} film are about 0.85eV and 4.86eV, respectively.

  5. Synthesis and Characterization of Th2N2(NH) Isomorphous to Th2N3

    SciTech Connect (OSTI)

    Silva, G W Chinthaka M; Yeamans, Charles B.; Hunn, John D; Sattelberger, Alfred P; Czerwinski, Ken R.; Weck, Dr. Phil F

    2012-01-01

    Using a new, low-temperature, fluoride-based process, thorium nitride imide of the chemical formula Th{sub 2}N{sub 2}(NH) was synthesized from thorium dioxide via an ammonium thorium fluoride intermediate. The resulting product phase was characterized by powder X-ray diffraction (XRD) analysis and was found to be crystallographically similar to Th{sub 2}N{sub 3}. Its unit cell was hexagonal with a space group of P3m{bar 1} and lattice parameters of a = b = 3.886(1) and c = 6.185(2) {angstrom}. The presence of -NH in the nitride phase was verified by Fourier transform infrared spectroscopy (FTIR). Total energy calculations performed using all-electron scalar relativistic density functional theory (DFT) showed that the hydrogen atom in the Th{sub 2}N{sub 2}(NH) prefers to bond with nitrogen atoms occupying 1a Wyckoff positions of the unit cell. Lattice fringe disruptions observed in nanoparticle areas of the nitride species by high-resolution transmission electron microscopic (HRTEM) images also displayed some evidence for the presence of -NH group. As ThO{sub 2} was identified as an impurity, possible reaction mechanisms involving its formation are discussed.

  6. Origin State>> CA ID ID ID IL KY MD NM NM NY NY OH SC TN TN

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

    MD NM NM NY NY OH SC TN TN TN, WA, CA TN TN TN TN TX Total Shipments by Route Lawrence Livermore National Laboratory Advanced Mixed Waste Treatment Project Batelle Energy Alliance Idaho National Laboratory Argonne National Laboratory Paducah Gaseous Diffusion Plant Aberdeen Proving Ground Los Alamos National Laboratory Sandia National Laboratory Brookhaven National Laboratory West Valley Environmental Services Portsmouth Gaseous Diffusion Plant Savannah River Site Duratek/Energy Solutions Babcox

  7. Hai Wang, Z. Hua, W. Lua, M.D. Thouless - Department of Mechanical Engineering, and Department of Materials

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

    Hai Wang, Z. Hua, W. Lua, M.D. Thouless - Department of Mechanical Engineering, and Department of Materials Science and Engineering, University of Michigan One of the fundamental challenges of multi-scale modeling is the integration of atomistic-scale effects to continuum scale calculations. For example, the analysis of creep deformation requires continuum-level finite-element calculations to compute local stresses and temperatures which are then used in atomistic models to determine local atom

  8. Kinetic energy deficit in the symmetric fission of /sup 259/Md. [Light particle emission in /sup 256/Fm fission

    SciTech Connect (OSTI)

    Hulet, E.K.; Wild, J.F.; Lougheed, R.W.; Baisden, P.A.; Dougan, R.J.; Mustafa, M.G.

    1980-10-01

    The fragment energies of about 725 coincidence events have now been observed in the spontaneous fission (SF) decay of 105-min /sup 259/Md since its discovery in 1977. The fission of /sup 259/Md is characterized by a symmetric mass distribution, similar to those of /sup 258/Fm and /sup 259/Fm, but with a broad total kinetic energy (anti TKE) distribution which peaks at about 195 MeV, in contrast to those of /sup 258/Fm and /sup 259/Fm, for which the anti TKE is about 240 MeV. This kinetic energy deficit, approx. 40 MeV, has been postulated to be due to the emission of hydrogen-like particles by /sup 259/Md at the scission point in a large fraction of the fissions, leaving the residual fissioning nucleus with 100 protons. The residual nucleus would then be able to divide into two ultrastable tin-like fission fragments, but with less kinetic energy than that observed in the SF of /sup 258/Fm and /sup 259/Fm, because of binding-energy losses and a reduction in the Coulomb repulsion of the major fragments. To test this hypothesis, counter-telescope experiments aimed at detecting and identifying these light particles were performed. In 439 SF events 3 + 3 protons of the appropriate energy were observed, too few to account for the kinetic energy deficit in the fission of /sup 259/Md. There seems to be no explanation for this problem within the framework of current fission theory. These results are discussed along with preliminary measurements of light-particle emission in the SF of /sup 256/Fm. 5 figures.

  9. Dynamics of a globular protein and its hydration water studied by neutron scattering and MD simulations

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

    Chen, Sow-Hsin; Lagi, Marco; Chu, Xiang-qiang; Zhang, Yang; Kim, Chansoo; Faraone, Antonio; Fratini, Emiliano; Baglioni, Piero

    2010-01-01

    This review article describes our neutron scattering experiments made in the past four years for the understanding of the single-particle (hydrogen atom) dynamics of a protein and its hydration water and the strong coupling between them. We found that the key to this strong coupling is the existence of a fragile-to-strong dynamic crossover (FSC) phenomenon occurring at around T L = 225±5 K in the hydration water. On lowering of the temperature toward FSC, the structure of hydration water makes a transition from predominantly the high density form (HDL), a more fluid state, to predominantly the low density formmore » (LDL), a less fluid state, derived from the existence of a liquid–liquid critical point at an elevated pressure. We show experimentally that this sudden switch in the mobility of hydration water on Lysozyme, B-DNA and RNA triggers the dynamic transition, at a temperature T D = 220 K, for these biopolymers. In the glassy state, below T D , the biopolymers lose their vital conformational flexibility resulting in a substantial diminishing of their biological functions. We also performed molecular dynamics (MD) simulations on a realistic model of hydrated lysozyme powder, which confirms the existence of the FSC and the hydration level dependence of the FSC temperature. Furthermore, we show a striking feature in the short time relaxation ( β -relaxation) of protein dynamics, which is the logarithmic decay spanning 3 decades (from ps to ns). The long time α -relaxation shows instead a diffusive behavior, which supports the liquid-like motions of protein constituents. We then discuss our recent high-resolution X-ray inelastic scattering studies of globular proteins, Lysozyme and Bovine Serum Albumin. We were able to measure the dispersion relations of collective, intra-protein phonon-like excitations in these proteins for the first time. We found that the phonon energies show a marked softening and at the same time their population increases

  10. Theoretical investigation of HNgNH{sub 3}{sup +} ions (Ng = He, Ne, Ar, Kr, and Xe)

    SciTech Connect (OSTI)

    Gao, Kunqi; Sheng, Li

    2015-04-14

    The equilibrium geometries, harmonic frequencies, and dissociation energies of HNgNH{sub 3}{sup +} ions (Ng = He, Ne, Ar, Kr, and Xe) were investigated using the following method: Becke-3-parameter-Lee-Yang-Parr (B3LYP), Boese-Matrin for Kinetics (BMK), second-order Mller-Plesset perturbation theory (MP2), and coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)). The results indicate that HHeNH{sub 3}{sup +}, HArNH{sub 3}{sup +}, HKrNH{sub 3}{sup +}, and HXeNH{sub 3}{sup +} ions are metastable species that are protected from decomposition by high energy barriers, whereas the HNeNH{sub 3}{sup +} ion is unstable because of its relatively small energy barrier for decomposition. The bonding nature of noble-gas atoms in HNgNH{sub 3}{sup +} was also analyzed using the atoms in molecules approach, natural energy decomposition analysis, and natural bond orbital analysis.

  11. Theoretical Investigations on the Formation and Dehydrogenation Reaction Pathways of H(NH2BH2)nH (n=1-4) Oligomers: Importance of Dihydrogen Interactions (DHI)

    SciTech Connect (OSTI)

    Li, Jun; Kathmann, Shawn M.; Hu, Han-Shi; Schenter, Gregory K.; Autrey, Thomas; Gutowski, Maciej S.

    2010-09-06

    The H(NH2BH2)nH oligomers are possible products from dehydrogenation of ammonia borane (NH3BH3) and ammonium borohydride (NH4BH4), which belong to a class of boron-nitrogen-hydrogen (BNHx) compounds that are promising materials for chemical hydrogen storage. Understanding the kinetics and reaction pathways of formation of these oligomers and their further dehydrogenation is essential for developing BNHx-based hydrogen storage materials. We have performed computational modeling using density functional theory (DFT), ab initio wavefunction theory, and Car-Parrinello molecular dynamics (CPMD) simulations on the energetics and formation pathways for the H(NH2BH2)nH (n=1-4) oligomers, polyaminoborane (PAB), from NH3BH3 monomers and the subsequent dehydrogenation steps to form polyiminoborane (PIB). Through transition state searches and evaluation of the intrinsic reaction coordinates, we have investigated the B-N bond cleavage, the reactions of NH3BH3 molecule with intermediates, dihydrogen release through intra- and intermolecular hydrogen transfer, dehydrocoupling/cyclization of the oligomers, and the dimerization of NH3BH3 molecules. We discovered the formation mechanism of H(NH2BH2)n+1H oligomers through reactions of the H(NH2BH2)nH oligomers first with BH3 followed by reactions with NH3 and the release of H2, where the BH3 and NH3 intermediates are formed through dissociation of NH3BH3. We also found that the dimerization of the NH3BH3 molecules to form c-(NH2BH2)2 is slightly exothermic, with an unexpected transition state that leads to the simultaneous release of two H2 molecules. The dehydrogenations of the oligomers are also exothermic, typically by less than 10 kcal/(mol of H2), with the largest exothermicity for n=3. The transition state search shows that the one-step direct dehydrocoupling cyclization of the oligomers is not a favored pathway because of high activation barriers. The dihydrogen bonding, in which protic (HN) hydrogens interact with hydridic

  12. Measurement and Modeling of Spatial NH3 Storage Distributions in a Commercial Small Port Cu Zeolite Urea SCR Catalyst

    Broader source: Energy.gov [DOE]

    A modified Spaci-IR technique can measure transient NH3 and NOx concentrations; data have been used to calibrate and validate an SCR model, with good agreement between experiments and simulations.

  13. Structural transitions of ternary imide Li{sub 2}Mg(NH){sub 2} for hydrogen storage

    SciTech Connect (OSTI)

    Liang, C.; Gao, M. X.; Pan, H. G. Liu, Y. F.

    2014-08-25

    Phase transitions and energetic properties of Li{sub 2}Mg(NH){sub 2} with different crystal structures are investigated by experiments and first-principles calculations. The Li{sub 2}Mg(NH){sub 2} with the primitive cubic and orthorhombic structure is obtained by dynamically dehydrogenating a Mg(NH{sub 2}){sub 2}-2LiH mixture up to 280?C under an initial vacuum and 9.0?bars H{sub 2}, respectively. It is found that the obtained orthorhombic Li{sub 2}Mg(NH){sub 2} is converted to a primitive cubic structure as the dehydrogenation temperature is further increased to 400?C or performed by a 36?h of high-energetic ball milling. Moreover, the primitive cubic phase can be converted to an orthorhombic phase after heating at 280?C under 9.0?bars H{sub 2} for 1?h. Thermodynamic calculations show that the orthorhombic phase is the ground state structure of Li{sub 2}Mg(NH){sub 2}. The mechanism for phase transitions of Li{sub 2}Mg(NH){sub 2} is also discussed from the angle of energy.

  14. Effects of reactant rotational excitations on H{sub 2} + NH{sub 2} → H + NH{sub 3} reactivity

    SciTech Connect (OSTI)

    Song, Hongwei; Guo, Hua

    2014-12-28

    Rotational mode specificity of the title reaction is examined using an initial state selected time-dependent wave packet method on an accurate ab initio based global potential energy surface. This penta-atomic reaction presents an ideal system to test several dynamical approximations, which might be useful for future quantum dynamics studies of polyatomic reactions, particularly with rotationally excited reactants. The first approximation involves a seven-dimensional (7D) model in which the two non-reactive N–H bonds are fixed at their equilibrium geometry. The second is the centrifugal sudden (CS) approximation within the 7D model. Finally, the J-shifting (JS) model is tested, again with the fixed N–H bonds. The spectator-bond approximation works very well in the energy range studied, while the centrifugal sudden and J-shifting integral cross sections (ICSs) agree satisfactorily with the coupled-channel counterparts in the low collision energy range, but deviate at the high energies. The calculated integral cross sections indicate that the rotational excitation of H{sub 2} somewhat inhibits the reaction while the rotational excitations of NH{sub 2} have little effect. These findings are compared with the predictions of the sudden vector projection model. Finally, a simple model is proposed to predict rotational mode specificity using K-averaged reaction probabilities.

  15. Highgate Springs, VT LNG Imports from Canada

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    Monthly Annual Download Series History Download Series History Definitions, Sources & Notes Definitions, Sources & Notes Show Data By: Data Series Area 2009 2010 2011 2012 2013...

  16. Highgate Springs, VT LNG Imports from Canada

    Gasoline and Diesel Fuel Update (EIA)

    Cubic Feet) Dollars per Thousand Cubic Feet) Hidalgo, TX Natural Gas Pipeline Imports From Mexico (Dollars per Thousand Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's 2.26 2.31 2.03 2.09 2000's 5.85 4.61 2.26 -- -- 8.10 5.53 6.23 5.55 4.40 2010's 4.21 -- -- -- -- - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016

  17. LDRD Final Report (08-ERD-037): Important Modes to Drive Protein MD Simulations to the Next Conformational Level

    SciTech Connect (OSTI)

    Sadigh, B

    2011-04-07

    Every action in biology is performed by dynamic proteins that convert between multiple states in order to engage their functions. Often binding to various ligands is essential for the rates of desired transitions to be enhanced. The goal of computational biology is to study these transitions and discover the different states to fully understand the protein's normal and diseased function, design drugs to target/bias specific states, and understand all of the interactions in between. We have developed a new methodology that is capable of calculating the absolute free energy of proteins while taking into account all the interactions with the solvent molecules. The efficiency of the new scheme is an order of magnitude greater than any existing technique. This method is now implemented in the massively parallel popular MD program package NAMD. This now makes it possible to calculate the relative stability of different conformational states of biological macromolecules as well as their binding free energies to various ligands.

  18. A SCR Model Calibration Approach with Spatially Resolved Measurements and NH3 Storage Distributions

    SciTech Connect (OSTI)

    Song, Xiaobo; Parker, Gordon G.; Johnson, John H.; Naber, Jeffrey D.; Pihl, Josh A.

    2014-11-27

    The selective catalytic reduction (SCR) is a technology used for reducing NO x emissions in the heavy-duty diesel (HDD) engine exhaust. In this study, the spatially resolved capillary inlet infrared spectroscopy (Spaci-IR) technique was used to study the gas concentration and NH3 storage distributions in a SCR catalyst, and to provide data for developing a SCR model to analyze the axial gaseous concentration and axial distributions of NH3 storage. A two-site SCR model is described for simulating the reaction mechanisms. The model equations and a calculation method was developed using the Spaci-IR measurements to determine the NH3 storage capacity and the relationships between certain kinetic parameters of the model. Moreover, a calibration approach was then applied for tuning the kinetic parameters using the spatial gaseous measurements and calculated NH3 storage as a function of axial position instead of inlet and outlet gaseous concentrations of NO, NO2, and NH3. The equations and the approach for determining the NH3 storage capacity of the catalyst and a method of dividing the NH3 storage capacity between the two storage sites are presented. It was determined that the kinetic parameters of the adsorption and desorption reactions have to follow certain relationships for the model to simulate the experimental data. Finally, the modeling results served as a basis for developing full model calibrations to SCR lab reactor and engine data and state estimator development as described in the references (Song et al. 2013a, b; Surenahalli et al. 2013).

  19. RELAP5/MOD2 assessment simulation of semiscale MOD-2C test S-NH-3

    SciTech Connect (OSTI)

    Megahed, M M

    1987-10-01

    This report documents an evaluation of the RELAP5/MOD2/Cycle 36.05 thermal hydraulic computer code for a simulation of a small-break loss-of-coolant accident transient (SBLOCA). The experimental data base for the evaluation is the results of Test S-NH-3 performed in the Semiscale MOD-2C test facility. The test modeled a 0.5% SBLOCA with an accompanying failure of the high-pressure injection emergency core cooling system. The test facility and RELAP5/MOD2 model used in the calculations are described. Evaluations of the accuracy of the calculations are presented in the form of comparisons of measured and calculated histories of selected parameters associated with the primary and secondary systems. A conclusion was reached that the code is capable of making SBLOCA calculations efficiently. However, some of the SBLOCA-related phenomena were not properly predicted by the code, suggesting a need for code improvement.

  20. The thermal decomposition of NH{sub 2}OH and subsequent reactions : ab initio transition state theory and reflected shock tube experiments.

    SciTech Connect (OSTI)

    Klippenstein, S. J.; Harding, L. B.; Ruscic, B.; Sivaramakrishnan, R.; Srinivasan, N. K.; Su, M.-C.; Michael, J. V.; Chemical Sciences and Engineering Division; Sonoma State Univ.

    2009-01-01

    Primary and secondary reactions involved in the thermal decomposition of NH{sub 2}OH are studied with a combination of shock tube experiments and transition state theory based theoretical kinetics. This coupled theory and experiment study demonstrates the utility of NH{sub 2}OH as a high temperature source of OH radicals. The reflected shock technique is employed in the determination of OH radical time profiles via multipass electronic absorption spectrometry. O-atoms are searched for with atomic resonance absorption spectrometry. The experiments provide a direct measurement of the rate coefficient, k{sub 1}, for the thermal decomposition of NH{sub 2}OH. Secondary rate measurements are obtained for the NH{sub 2} + OH (5a) and NH{sub 2}OH + OH (6a) abstraction reactions. The experimental data are obtained for temperatures in the range from 1355 to 1889 K and are well represented by the respective rate expressions: log[k/(cm{sup 3} molecule{sup -1} s{sup -1})] = (?10.12 {+-} 0.20) + (?6793 {+-} 317 K/T) (k{sub 1}); log[k/(cm{sup 3} molecule{sup -1} s{sup -1})] = (?10.00 {+-} 0.06) + (?879 {+-} 101 K/T) (k{sub 5a}); log[k/(cm{sup 3} molecule{sup -1} s{sup -1})] = (?9.75 {+-} 0.08) + (?1248 {+-} 123 K/T) (k{sub 6a}). Theoretical predictions are made for these rate coefficients as well for the reactions of NH{sub 2}OH + NH{sub 2}, NH{sub 2}OH + NH, NH + OH, NH{sub 2} + NH{sub 2}, NH{sub 2} + NH, and NH + NH, each of which could be of secondary importance in NH{sub 2}OH thermal decomposition. The theoretical analyses employ a combination of ab initio transition state theory and master equation simulations. Comparisons between theory and experiment are made where possible. Modest adjustments of predicted barrier heights (i.e., by 2 kcal/mol or less) generally yield good agreement between theory and experiment. The rate coefficients obtained here should be of utility in modeling NO{sub x} in various combustion environments.

  1. Tuned sensitivity towards H{sub 2}S and NH{sub 3} with Cu doped barium strontium titanate materials

    SciTech Connect (OSTI)

    Simion, C. E. Teodorescu, V. S.; Stănoiu, A.; Sackmann, A.; Ruşti, C. F.; Piticescu, R. M.

    2014-11-05

    The different amount of Cu-doped Barium Strontium Titanate (BST) thick film materials have been tested for their gas-sensing performances towards NH{sub 3} and H{sub 2}S under dry and 50% relative humidity (RH) background conditions. The optimum NH{sub 3} sensitivity was attained with 0.1mol% Cu-doped BST whereas the selective detection of H{sub 2}S was highlighted using 5mol% Cu-doped BST material. No cross-sensitivity effects to CO, NO{sub 2}, CH{sub 4} and SO{sub 2} were observed for all tested materials operated at their optimum temperature (200°C) under humid conditions (50% RH). The presence of humidity clearly enhances the gas sensitivity to NH{sub 3} and H{sub 2}S detection.

  2. padd map

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

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  3. printer_friendly_org_chart

    Gasoline and Diesel Fuel Update (EIA)

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  4. paper-LSPP16

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

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    pantex On Womens Equality Day, we celebrate NNSA's talented Women in STEM NNSA's systems administrators keep the computers running

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    Office of Scientific and Technical Information (OSTI)

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  6. DOE Hydrogen and Fuel Cell Overview

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

    DOE Hydrogen & Fuel Cell Overview Dr. Sunita Satyapal Program Manager U.S. Department of Energy Fuel Cell Technologies Program DOE/CESA/TTC Hydrogen and Fuel Cells Webinar December 14, 2010 2 Examples of DOE-funded Partners and Locations - Fuel Cell Technologies Program TX NM AZ NC AR CA CO HI WA IL KY MA MN MO MS AL NV TN UT WV ID FL MI ND OR OH IN MT WY IO NE KS OK AK LA GA WI SC VA PA DE MD DC NJ NY RI CT VT NH ME SD Source: US DOE 12/2010 2 3 Fuel Cells: Addressing Energy Challenges 4

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

    < 5k 0 < 50k < 100k < 250k < 500k < 1M > 1M > 5M > 10M DE MD DC MA RI NJ AZ UT WY ID OR WA CA TX OK KS CO NE SD ND MN WI IL IA MO AR LA MS AL FL GA TN KY IN OH MI ME NH CT VT NY PA WV VA NC SC MT AK HI NV NM Princeton Plasma Physics Laboratory Procured Materials and Services 2015 (> $35M) Small business procurements in US: $14.73M

  8. Buildings Energy Data Book: 3.9 Educational Facilities

    Buildings Energy Data Book [EERE]

    6 2010 Regional New Construction and Renovations Expenditures for Public K-12 Schools ($Million) Region New Schools Additions Renovation Total Region 1 (CT, MA, ME, NH, RI, VT) Region 2 (NJ, NY, PA) Region 3 (DE, MD, VA, WV) Region 4 (KY, NC, SC, TN) Region 5 (AL, FL, GA, MS) Region 6 (IN, MI, OH) Region 7 (IL, MN, WI) Region 8 (IA, KS, MO, NE) Region 9 (AR, LA, OK, TX) Region 10 (CO, MT, ND, NM, SD, UT, WY) Region 11 (AZ, CA, HI, NV) Region 12 (AK, ID, OR, WA) Total Source(s): School Planning

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

    SciTech Connect (OSTI)

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

    2015-06-07

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

  10. MD simulations of phase stability of PuGa alloys: Effects of primary radiation defects and helium bubbles

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

    Dremov, V. V.; Sapozhnikov, F. A.; Ionov, G. V.; Karavaev, A. V.; Vorobyova, M. A.; Chung, B. W.

    2013-05-14

    We present classical molecular dynamics (MD) with Modified Embedded Atom Model (MEAM) simulations to investigate the role of primary radiation defects and radiogenic helium as factors affecting the phase stability of PuGa alloys in cooling–heating cycles at ambient pressure. The models of PuGa alloys equilibrated at ambient conditions were subjected to cooling–heating cycles in which they were initially cooled down to 100 K and then heated up to 500 K at ambient pressure. The rate of temperature change in the cycles was 10 K/ns. The simulations showed that the initial FCC phase of PuGa alloys undergo polymorphous transition in coolingmore » to a lower symmetry α'-phase. All the alloys undergo direct and reverse polymorphous transitions in the cooling–heating cycles. The alloys containing vacancies shift in both transitions to lower temperatures relative to the defect-free alloys. The radiogenic helium has much less effect on the phase stability compared to that of primary radiation defects (in spite of the fact that helium concentration is twice of that for the primary radiation defects). Lastly, this computational result agrees with experimental data on unconventional stabilization mechanism of PuGa alloys.« less

  11. Better Buildings Residential Network Workforce/Business Partners...

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

    * University Park, MD * Michigan * Kansas City, MO * Omaha and Lincoln, NE * New Hampshire * New York * Cincinnati, OH * Rutland County, VT * Kitsap County, WA * Seattle, WA ...

  12. NEEP Building Energy Codes Project

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

    * Markets value and prioritize energy efficiency - Rating and Disclosure ( VT, Cambridge, MA) * Robust & qualified building energy code work force: DE, RI, MA, MD, NY * ...

  13. Increasing biogas yield of rural biogas digester by addition of NH/sub 4/HCO/sub 3/

    SciTech Connect (OSTI)

    Sun, G.C.; Chen, G.Q.; Chen, M.; Liu, K.X.; Zhou, S.Y.

    1983-12-01

    By addition of 0.3% NH/sub 4/HCO/sub 3/ instead of animal manure into rural biogas digester in which the rotted rice straw was the major feedstock, the biogas yield doubled in comparison with the check digester (0.1 m/sup 3//m/sup 3//d) and the fertility of NH/sub 4/HCO/sub 3/ did not decrease because of biogas fermentation. Many digesters have been built in China. But, owing to the problems of improper management, unsuitable influent mixing, etc., neither digesters nor feedstock were fully utilized. In order to solve these problems, adding NH/sub 4/HCO/sub 3/ into digester instead of animal manure was tried. Its results showed that the suitable C/N ratio of influent mixing was obtained, the fertility of effluent went up, and biogas producing rate increased. The concentration of NH/sub 4/HCO/sub 3/ is 0.2-0.6%, but the optimal is 0.3%.

  14. Update and Improve Subsection NH –– Alternative Simplified Creep-Fatigue Design Methods

    SciTech Connect (OSTI)

    Tai Asayama

    2009-10-26

    This report described the results of investigation on Task 10 of DOE/ASME Materials NGNP/Generation IV Project based on a contract between ASME Standards Technology, LLC (ASME ST-LLC) and Japan Atomic Energy Agency (JAEA). Task 10 is to Update and Improve Subsection NH -- Alternative Simplified Creep-Fatigue Design Methods. Five newly proposed promising creep-fatigue evaluation methods were investigated. Those are (1) modified ductility exhaustion method, (2) strain range separation method, (3) approach for pressure vessel application, (4) hybrid method of time fraction and ductility exhaustion, and (5) simplified model test approach. The outlines of those methods are presented first, and predictability of experimental results of these methods is demonstrated using the creep-fatigue data collected in previous Tasks 3 and 5. All the methods (except the simplified model test approach which is not ready for application) predicted experimental results fairly accurately. On the other hand, predicted creep-fatigue life in long-term regions showed considerable differences among the methodologies. These differences come from the concepts each method is based on. All the new methods investigated in this report have advantages over the currently employed time fraction rule and offer technical insights that should be thought much of in the improvement of creep-fatigue evaluation procedures. The main points of the modified ductility exhaustion method, the strain range separation method, the approach for pressure vessel application and the hybrid method can be reflected in the improvement of the current time fraction rule. The simplified mode test approach would offer a whole new advantage including robustness and simplicity which are definitely attractive but this approach is yet to be validated for implementation at this point. Therefore, this report recommends the following two steps as a course of improvement of NH based on newly proposed creep-fatigue evaluation

  15. Verification of Allowable Stresses In ASME Section III Subsection NH For Grade 91 Steel & Alloy 800H

    SciTech Connect (OSTI)

    R. W. Swindeman; M. J. Swindeman; B. W. Roberts; B. E. Thurgood; D. L. Marriott

    2007-11-30

    The database for the creep-rupture of 9Cr-1Mo-V (Grade 91) steel was collected and reviewed to determine if it met the needs for recommending time-dependent strength values, S{sub t}, for coverage in ASME Section III Subsection NH (ASME III-NH) to 650 C (1200 F) and 600,000 hours. The accumulated database included over 300 tests for 1% total strain, nearly 400 tests for tertiary creep, and nearly 1700 tests to rupture. Procedures for analyzing creep and rupture data for ASME III-NH were reviewed and compared to the procedures used to develop the current allowable stress values for Gr 91 for ASME II-D. The criteria in ASME III-NH for estimating S{sub t} included the average strength for 1% total strain for times to 600,000 hours, 80% of the minimum strength for tertiary creep for times to 600,000 hours, and 67% of the minimum rupture strength values for times to 600,000 hours. Time-temperature-stress parametric formulations were selected to correlate the data and make predictions of the long-time strength. It was found that the stress corresponding to 1% total strain and the initiation of tertiary creep were not the controlling criteria over the temperature-time range of concern. It was found that small adjustments to the current values in III-NH could be introduced but that the existing values were conservative and could be retained. The existing database was found to be adequate to extend the coverage to 600,000 hours for temperatures below 650 C (1200 F).

  16. Training Session: Frederick, MD

    Broader source: Energy.gov [DOE]

    This 3.5-hour training provides builders with a comprehensive review of zero net-energy-ready home construction including the business case, detailed specifications, and opportunities to be...

  17. Reduction of VOC emissions from metal dip coating applications -- Canam Steel Corporation Point of Rocks, MD case study

    SciTech Connect (OSTI)

    Monfet, J.P.

    1997-12-31

    The reduction of VOC emissions from metal dip coating applications is not an environmental constraint, it is an economic opportunity. This case study shows how the industry can reap economic benefits from VOC reductions while improving air quality. The Canam Steel Corporation plant located in Point of Rocks, MD operates dip tanks for primer application on fabricated steel joists and joist girders. This process is presently subject to a regulation that limits the paint VOC content to 3.5 pounds per gallon of coating less water. As a result of the high paint viscosity associated with that regulation, the paint thickness of the dipped steel is thicker than the customers` specifications. Most of the VOC emissions can therefore be associated with the excess of paint applied to the products rather than to the required thickness of the coating. The higher paint usage rate has more than environmental consequences, it increases the cost of the applied coating. The project is to reduce the paint usage by controlling the viscosity of the coating in the tank. Experimental results as well as actual mass balance calculations show that using a higher VOC content paint would reduce the overall VOC emissions. The author explained the project to the Maryland Department of the Environment (MDE) Air and Radiation Management Administration. First, the MDE agreed to develop a new RACT determination for fabricated steel dipping operations. The new regulation would limit the amount of VOC than can be emitted to dip coat a ton of fabricated steel. Second, the MDE agreed to allow experimentation of the higher VOC content paint as a pilot project for the new regulation. This paper demonstrates the need for a RACT determination specific to fabricated steel dipping operations.

  18. Synthesis, characterization and optical properties of NH{sub 4}Dy(PO{sub 3}){sub 4}

    SciTech Connect (OSTI)

    Chemingui, S.; Ferhi, M. Horchani-Naifer, K.; Férid, M.

    2014-09-15

    Polycrystalline powders of NH{sub 4}Dy(PO{sub 3}){sub 4} polyphosphate have been grown by the flux method. This compound was found to be isotopic with NH{sub 4}Ce(PO{sub 3}){sub 4} and RbHo(PO{sub 3}){sub 4}. It crystallizes in the monoclinic space group P2{sub 1/n} with unit cell parameters a=10.474(6) Å, b=9.011(4) Å, c=10.947(7) Å and β=106.64(3)°. The title compound has been transformed to triphosphate Dy(PO{sub 3}){sub 3} after calcination at 800 °C. Powder X-ray diffraction, infrared and Raman spectroscopies and the differential thermal analysis have been used to identify these materials. The spectroscopic properties have been investigated through absorption, excitation, emission spectra and decay curves of Dy{sup 3+} ion in both compounds at room temperature. The emission spectra show the characteristic emission bands of Dy{sup 3+} in the two compounds, before and after calcination. The integrated emission intensity ratios of the yellow to blue (I{sub Y}/I{sub B}) transitions and the chromaticity properties have been determined from emission spectra. The decay curves are found to be double-exponential. The non-exponential behavior of the decay rates was related to the resonant energy transfer as well as cross-relaxation between the donor and acceptor Dy{sup 3+} ions. The determined properties have been discussed as function of crystal structure of both compounds. They reveal that NH{sub 4}Dy(PO{sub 3}){sub 4} is promising for white light generation but Dy(PO{sub 3}){sub 3} is potential candidates in field emission display (FED) and plasma display panel (PDP) devices. - Graphical abstract: The CIE color coordinate diagrams showing the chromatic coordinates of Dy{sup 3+} luminescence in NH{sub 4}Dy(PO{sub 3}){sub 4} and Dy(PO{sub 3}){sub 3}. - Highlights: • The polycrystalline powders of NH{sub 4}Dy(PO{sub 3}){sub 4} and Dy(PO{sub 3}){sub 3} are synthesized. • The obtained powders are characterized. • The spectroscopic properties of Dy{sup 3+} ion

  19. RELAP5 assessment using semiscale SBLOCA test S-NH-1. International Agreement Report

    SciTech Connect (OSTI)

    Lee, E.J.; Chung, B.D.; Kim, H.J.

    1993-06-01

    2-inch cold leg break test S-NH-1, conducted at the 1/1705 volume scaled facility Semiscale was analyzed using RELAP5/MOD2 Cycle 36.04 and MOD3 Version 5m5. Loss of HPIS was assumed, and reactor trip occurred on a low PZR pressure signal (13.1 MPa), and pumps began an unpowered coastdown on SI signal (12.5 MPa). The system was recovered by opening ADV`s when the PCT became higher than 811 K. Accumulator was finally injected into the system when the primary system pressure was less than 4.0 MPa. The experiment was terminated when the pressure reached the LPIS actuation set point RELAP5/MOD2 analysis demonstrated its capability to predict, with a sufficient accuracy, the main phenomena occurring in the depressurization transient, both from a qualitative and quantitative points of view. Nevertheless, several differences were noted regarding the break flow rate and inventory distribution due to deficiencies in two-phase choked flow model, horizontal stratification interfacial drag, and a CCFL model. The main reason for the core to remain nearly fully covered with the liquid was the under-prediction of the break flow by the code. Several sensitivity calculations were tried using the MOD2 to improve the results by using the different options of break flow modeling (downward, homogeneous, and area increase). The break area compensating concept based on ``the integrated break flow matching`` gave the best results than downward junction and homogeneous options. And the MOD3 showed improvement in predicting a CCFL in SG and a heatup in the core.

  20. Capacitive deionization of NH{sub 4}CIO{sub 4} solutions with carbon aerogel electrodes. Revision 1

    SciTech Connect (OSTI)

    Farmer, J.C.; Fix, D.V.; Mack, G.V.; Pekala, R.W.; Poco, J.F.

    1996-01-01

    A process for capacitive deionization of water with a stack of carbon aerogel electrodes was developed. Unlike ion exchange, one of the more conventional deionization processes, no chemicals are required for regeneration of the system; electricity is used instead. An aqueous solution of NH{sub 4}ClO{sub 4} is pumped through the electrochemical cell. After polarization, NH{sub 4}{sup +} and ClO{sub 4}{sup -} ions are removed from the water by the imposed electric field and trapped in the extensive cathodic and anodic double layers. Thsi process produces one stream of purified water and a second stream of concentrate. Effects of cell voltage, salt concentration, and cycling on electrosorption capacity were studied and results reported.

  1. A reaction mechanism for titanium nitride CVD from TiCl{sub 4} and NH{sub 3}

    SciTech Connect (OSTI)

    Larson, R.S.; Allendorf, M.D.

    1995-12-01

    A gas-phase and surface reaction mechanism for the CVD of TiN from TiCl{sub 4} and NH{sub 3} is proposed. The only gas-phase process is complex formation, which can compete with deposition. The surface mechanism postulates the stepwise elimination of Cl and H atoms from TiCl{sub 4} and NH{sub 3}, respectively, to form solid TiN and gaseous HCl. The mechanism also accounts for the change in oxidation state of Ti by allowing for liberation of N{sub 2}. Provided that the surface composition is at steady state, the stoichiometry of the overall reaction is reproduced exactly. In addition, the global kinetic law predicted by the mechanism is successfully fit to new deposition data from a rotating disk reactor and is shown to be consistent with literature results.

  2. RELAP5/MOD2 assessment using semiscale experiments S-NH-1 and S-LH-2

    SciTech Connect (OSTI)

    Yuann, Ruey-ying; Liang, Kuo-shing; Jacobson, J L

    1987-10-01

    This report presents the results of the RELAP5/MOD2 posttest assessment utilizing two small break loss-of-coolant accident (LOCA) tests (S-NH-1 and S-LH-2) which were performed in the Semiscale Mod-2C facility. Test S-NH-1 was a 0.5% small break LOCA where the high-pressure injection system (HPIS) was inoperable throughout the transient. Test S-LH-2 was a 5% small break LOCA involving a relatively high upper-head-to-downcomer initial bypass flow and nominal emergency core cooling. Through comparisons between data and best-estimate RELAP5 calculations, the capabilities of RELAP5 to calculate the transient phenomena are assessed. For S-NH-1, emphasis was placed on the capability of the code to calculate various operator actions to initiate core heatup in the absence of HPIS. For S-LH-2, the capability of the code to calculate basic small break system response, such as vessel level during loop seal formation and clearing, break uncovery, and primary pressure response following accumulator injection, was assessed. 10 refs., 76 figs., 4 tabs.

  3. Synthesis, crystal growth, structural and magnetic characterization of NH4MCl2(HCOO), M=(Fe, Co, Ni)

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

    Greenfield, Joshua T.; Ovidiu Garlea, V.; Kamali, Saeed; Chen, Michael; Kovnir, Kirill

    2015-09-24

    In this paper, an ambient-pressure solution route and an improved solvothermal synthetic method have been developed to produce polycrystalline powders and large single crystals of NH4MCl2(HCOO) (M=Fe, Co, Ni). The magnetic structure of the 1D linear chain compound NH4FeCl2(HCOO) has been determined by low-temperature neutron powder diffraction, revealing ferromagnetic intra-chain interactions and antiferromagnetic inter-chain interactions. Finally, the newly-reported Co and Ni analogs are isostructural with NH4FeCl2(HCOO), but there are significant differences in the magnetic properties of each compound; the Ni analog behaves similarly to the Fe compound but with stronger magnetic coupling, exhibiting antiferromagnetic ordering (TN=8.5 K) and a broadmore » metamagnetic transition between 2 and 5 T, while the Co analog does not order magnetically above 2 K, despite strong antiferromagnetic nearest-neighbor interactions.« less

  4. High-temperature phase transformation and topochemical nature in ferroelastic (NH{sub 4}){sub 2}SO{sub 4}

    SciTech Connect (OSTI)

    Lee, Kwang-Sei; Oh, In-Hwan; Ko, Jae-Hyeon

    2014-04-01

    The electrical conductivity of ferroelastic ammonium sulfate (NH{sub 4}){sub 2}SO{sub 4} revealed an anomaly at around 130 C (=403 K, T{sub P}) on heating with large and irreversible thermal hysteresis through thermal cycle. Ferroelastic domain walls and surface morphology of (NH{sub 4}){sub 2}SO{sub 4} were investigated by hot-stage polarizing microscopy. Structural phase transition from an orthorhombic ferroelastic phase to a hexagonal paraelastic phase was not identified at T{sub P} upon heating. On further heating above T{sub P}, microscopic spots appeared and grew on the crystal surface, suggesting that the high-temperature anomaly at T{sub P} was an indication of an onset of thermal decomposition controlled by topochemical factors. The increase of electrical conductivity above T{sub P} was attributed to proton migration. - Graphical abstract: Surface morphology of the (100) face of (NH{sub 4}){sub 2}SO{sub 4} on heating, showing chemical reaction at the surface. - Highlights: We investigate the high-temperature phase transformation of ammonium sulfate. The increasing conductivity upon heating is attributed to proton migration. Structural phase transition from orthorhombic to hexagonal phase is not confirmed. High-temperature anomaly is related to an onset of thermal decomposition. The nature of the high-temperature anomaly is topochemical controlled by defects.

  5. Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo- Protonation Sites

    SciTech Connect (OSTI)

    Brown, Houston JS; Wiese, Stefan; Roberts, John A.; Bullock, R. Morris; Helm, Monte L.

    2015-04-03

    A new Ni(II) complex, [Ni(7PPh2NH)2]2+ (7PPh2NH = 3,6-triphenyl-1-aza-3,6-diphosphacycloheptane) has been synthesized, and its electrochemical properties are reported. The 7PPh2NH ligand features an NH, ensuring properly positioned protonated amine groups (NH+) for electrocatalysis, regardless of whether protonation occurs exo- or endo- to the metal center. The compound is an electrocatalyst for H2 production in the presence of organic acids (pKa range 1013 in CH3CN) with turnover frequencies ranging from 160770 s-1 at overpotentials between 320470 mV, as measured at the half peak potential of the catalytic wave. In stark contrast to [Ni(PR2NR'2)2]2+ and other [Ni(7PPh2NR')]2+ complexes, catalytic turnover frequencies for H2 production by [Ni(7PPh2NH)2]2+ do not show catalytic rate enhancement upon the addition of H2O. This finding supports the assertion that [Ni(7PPh2NH)2]2+ eliminates the distinction between the endo- and exo-protonation isomers. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  6. Time-Resolved XAFS Spectroscopic Studies of B-H and N-H Oxidative Addition to Transition Metal Catalysts Relevant to Hydrogen Storage

    SciTech Connect (OSTI)

    Bitterwolf, Thomas E.

    2014-12-09

    Successful catalytic dehydrogenation of aminoborane, H3NBH3, prompted questions as to the potential role of N-H oxidative addition in the mechanisms of these processes. N-H oxidative addition reactions are rare, and in all cases appear to involve initial dative bonding to the metal by the amine lone pairs followed by transfer of a proton to the basic metal. Aminoborane and its trimethylborane derivative block this mechanism and, in principle, should permit authentic N-H oxidative attrition to occur. Extensive experimental work failed to confirm this hypothesis. In all cases either B-H complexation or oxidative addition of solvent C-H bonds dominate the chemistry.

  7. A Pyrrolyl-based Triazolophane: A Macrocyclic Receptor With CH and NH Donor Groups That Exhibits a Preference for Pyrophosphate Anions

    SciTech Connect (OSTI)

    Sessler, Jonathan L.; Cia, Jiajia; Gong, Han-Yuan; Yang, Xiauping; Arambula, Jonathan F.; Hay, Benjamin

    2010-01-01

    A pyrrolyl-based triazolophane, incorporating CH and NH donor groups, acts as a receptor for the pyrophosphate anion in chloroform solution. It shows selectivity for this trianion, followed by HSO{sub 4}{sup -} > H{sub 2}PO{sub 4}{sup -} > Cl{sup -} > Br{sup -} (all as the corresponding tetrabutylammonium salts), with NH-anion interactions being more important than CH-anion interactions. In the solid state, the receptor binds the pyrophosphate anion in a clip-like slot via NH and CH hydrogen bonds.

  8. 2013 Annual Merit Review Results Report - Technology Integration...

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

    Review Results Report - Technology Integration EV Community Readiness projects: New York City and Lower Hudson Valley Clean Communities, Inc. (NY, MA, PA); NYSERDA (ME, NH, VT,...

  9. Fe/SSZ-13 as an NH3-SCR Catalyst: A Reaction Kinetics and FTIR/Mössbauer Spectroscopic Study

    SciTech Connect (OSTI)

    Gao, Feng; Kollar, Marton; Kukkadapu, Ravi K.; Washton, Nancy M.; Wang, Yilin; Szanyi, Janos; Peden, Charles H.F.

    2015-03-01

    Using a traditional aqueous solution ion-exchange method under a protecting atmosphere of N2, an Fe/SSZ-13 catalyst active in NH3-SCR was synthesized. Mössbauer and FTIR spectroscopies were used to probe the nature of the Fe sites. In the fresh sample, the majority of Fe species are extra-framework cations. The likely monomeric and dimeric ferric ions in hydrated form are [Fe(OH)2]+ and [HO-Fe-O-Fe-OH]2+, based on Mössbauer measurements. During the severe hydrothermal aging (HTA) applied in this study, a majority of cationic Fe species convert to FeAlOx and clustered FeOx species, accompanied by severe dealumination of the SSZ-13 framework. The clustered FeOx species do not give a sextet Mössbauer spectrum, indicating that these are highly disordered. However, some Fe species in cationic positions remain after aging as determined from Mössbauer measurements and CO/NO FTIR titrations. NO/NH3 oxidation reaction tests reveal that dehydrated cationic Fe are substantially more active in catalyzing oxidation reactions than the hydrated ones. For NH3-SCR, enhancement of NO oxidation under ‘dry’ conditions promotes SCR rates below ~300 • C. This is due mainly to contribution from the “fast” SCR channel. Above ~300 • C, enhancement of NH3 oxidation under ‘dry’ conditions, however, becomes detrimental to NOx conversions. The HTA sample loses much of the SCR activity below ~300 • C; however, above ~400 • C much of the activity remains. This may suggest that the FeAlOx and FeOx species become active at such elevated temperatures. Alternatively, the high-temperature activity may be maintained by the remaining extra-framework cationic species. For potential practical applications, Fe/SSZ-13 may be used as a co-catalyst for Cu/CHA as integral aftertreatment SCR catalysts on the basis of the stable high temperature activity after hydrothermal aging. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy

  10. Inhibitory effect of high NH{sub 4}{sup +}–N concentration on anaerobic biotreatment of fresh leachate from a municipal solid waste incineration plant

    SciTech Connect (OSTI)

    Liu, Zhao; Dang, Yan; Li, Caihua; Sun, Dezhi

    2015-09-15

    Highlights: • High NH{sub 4}{sup +}–N concentrations inhibit anaerobic treatment of leachate. • Inhibitory effect of NH{sub 4}{sup +}–N concentrations on anaerobic granular sludge is reversible. • High NH{sub 4}{sup +}–N concentrations inhibit bioactivities of microorganisms instead of survival. - Abstract: Fresh leachate from municipal solid waste (MSW) incineration plants generally contains extremely high NH{sub 4}{sup +}–N concentration which could inhibit the bioactivity of microorganisms. The inhibitory effect of high NH{sub 4}{sup +}–N concentration on anaerobic biotreatment of fresh leachate from a MSW incineration plant in China has been investigated in this study. The inhibition processes was studied by both static tests and a laboratory-scale expanded granular sludge bed (EGSB) reactor. The specific methanogenic activity (SMA) of the microorganisms in anaerobic granular sludge was inhibited with the NH{sub 4}{sup +}–N concentration increasing to 1000 mg/L in static tests. As well the chemical oxygen demand (COD) removal efficiency and the methane yield decreased in the EGSB reactor, while the volatile fatty acids (VFAs) accumulated and extracellular polymeric substances (EPS) of the anaerobic granular sludge increased with NH{sub 4}{sup +}–N concentration rising to 1000 mg/L, without any rebounding during 30 days of operation. Decreasing NH{sub 4}{sup +}–N concentration to 500 mg/L in influent, the COD removal efficiency recovered to about 85% after 26 days. 1000 mg/L of NH{sub 4}{sup +}–N in leachate was suggested to be the inhibition threshold in EGSB reactor. High-throughput sequencing results showed little changes in microbial communities of the sludge for a high NH{sub 4}{sup +}–N concentration, indicating that the survival of most microorganisms was not affected under such a condition. It inhibited the bioactivity of the microorganisms, resulting in decrease of the COD removal efficiency.

  11. Observational results of a multi-telescope campaign in search of interstellar urea [(NH{sub 2}){sub 2}CO

    SciTech Connect (OSTI)

    Remijan, Anthony J.; Snyder, Lewis E.; Kuo, Hsin-Lun; Looney, Leslie W.; Friedel, Douglas N.; McGuire, Brett A.; Golubiatnikov, G. Yu; Lovas, Frank J.; Ilyushin, V. V.; Alekseev, E. A.; Dyubko, S. F.; McCall, Benjamin J.; Hollis, Jan M.

    2014-03-10

    In this paper, we present the results of an observational search for gas phase urea [(NH{sub 2}){sub 2}CO] observed toward the Sgr B2(N-LMH) region. We show data covering urea transitions from ?100 GHz to 250 GHz from five different observational facilities: the Berkeley-Illinois-Maryland-Association (BIMA) Array, the Combined Array for Research in Millimeter-wave Astronomy (CARMA), the NRAO 12 m telescope, the IRAM 30 m telescope, and the Swedish-ESO Submillimeter Telescope (SEST). The results show that the features ascribed to urea can be reproduced across the entire observed bandwidth and all facilities by best-fit column density, temperature, and source size parameters which vary by less than a factor of two between observations merely by adjusting for telescope-specific parameters. Interferometric observations show that the emission arising from these transitions is cospatial and compact, consistent with the derived source sizes and emission from a single species. Despite this evidence, the spectral complexity of both (NH{sub 2}){sub 2}CO and of Sgr B2(N) makes the definitive identification of this molecule challenging. We present observational spectra, laboratory data, and models, and discuss our results in the context of a possible molecular detection of urea.

  12. Passive SCR for lean gasoline NOX control: Engine-based strategies to minimize fuel penalty associated with catalytic NH3 generation

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

    Prikhodko, Vitaly Y.; Parks, James E.; Pihl, Josh A.; Toops, Todd J.

    2016-02-18

    Lean gasoline engines offer greater fuel economy than common stoichiometric gasoline engines. However, excess oxygen prevents the use of the current three-way catalyst (TWC) to control nitrogen oxide (NOX) emissions in lean exhaust. A passive SCR concept, introduced by General Motors Global R&D, makes use of a TWC that is already onboard to generate NH3 under slightly rich conditions, which is stored on the downstream SCR. The stored NH3 is then used to reduce NOX emissions when the engine switches to lean operation. In this work, the effect of engine parameters, such as air-fuel equivalence ratio and spark timing, onmore » NH3 generation over a commercial Pd-only TWC with no dedicated oxygen storage component was evaluated on a 2.0-liter BMW lean burn gasoline direct injection engine. NOX reduction, NH3 formation, and reductant utilization processes were evaluated, and fuel efficiency was assessed and compared to the stoichiometric engine operation case. We found air-fuel equivalence ratio to be one of the most important parameters in controlling the NH3 production; however, the rich operation necessary for NH3 production results in a fuel consumption penalty. The fuel penalty can be minimized by adjusting spark timing to increase rich-phase engine out NOX emissions and, thereby, NH3 levels. Additionally, higher engine out NOX during engine load increase to simulate acceleration resulted in additional fuel savings. Ultimately, a 10% fuel consumption benefit was achieved with the passive SCR approach by optimizing rich air-fuel equivalence ratio and spark timing while also utilizing acceleration load conditions.« less

  13. Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal

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

    Yang, Ye; Yan, Yong; Yang, Mengjin; Choi, Sukgeun; Zhu, Kai; Luter, Joseph M.; Beard, Matthew C.

    2015-08-06

    Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows sufficient characteristics, the surface recombination, which can have major impact on the solar cell performance, has not been studied. Here we measure surface recombination dynamics in CH3NH3PbBr3 perovskite single crystals using broadband transient reflectance spectroscopy. The surface recombination velocity is found to be 3.4±0.1 103 cm s-1, B2–3 orders of magnitude lower than that in many important unpassivated semiconductors employed in solar cells. Our result suggests that the planar grain sizemore » for the perovskite thin films should be larger thanB30 mm to avoid the influence of surface recombination on the effective carrier lifetime.« less

  14. Unusual defect physics in CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cell absorber

    SciTech Connect (OSTI)

    Yin, Wan-Jian Shi, Tingting; Yan, Yanfa

    2014-02-10

    Thin-film solar cells based on Methylammonium triiodideplumbate (CH{sub 3}NH{sub 3}PbI{sub 3}) halide perovskites have recently shown remarkable performance. First-principle calculations show that CH{sub 3}NH{sub 3}PbI{sub 3} has unusual defect physics: (i) Different from common p-type thin-film solar cell absorbers, it exhibits flexible conductivity from good p-type, intrinsic to good n-type depending on the growth conditions; (ii) Dominant intrinsic defects create only shallow levels, which partially explain the long electron-hole diffusion length and high open-circuit voltage in solar cell. The unusual defect properties can be attributed to the strong Pb lone-pair s orbital and I p orbital antibonding coupling and the high ionicity of CH{sub 3}NH{sub 3}PbI{sub 3}.

  15. 4D Density Determination of NH Radicals in an MSE Microplasma Combining Planar Laser Induced Fluorescence and Cavity Ring-Down Spectroscopy

    SciTech Connect (OSTI)

    Visser, Martin; Schenk, Andreas; Gericke, Karl-Heinz

    2010-10-13

    An application of microplasmas is surface modification under mild conditions and of small, well defined areas. For this, an understanding of the plasma composition is of importance. First results of our work on the production and detection of NH radicals in a capacitively coupled radio frequency (RF) microplasma are presented. A microstructured comb electrode was used to generate a glow discharge in a hydrogen/nitrogen gas mixture by applying 13.56 MHz RF voltage. The techniques of planar laser induced fluorescence (PLIF) and cavity ring-down spectroscopy (CRDS) are used for space and time resolved, quantitative detection of the NH radical in the plasma. The rotational temperature was determined to be 820 K and, the density 5.1x10{sup 12} cm{sup 3}. Also, time dependent behaviour of the NH production was observed.

  16. Selective Catalytic Reduction of NO by NH3 with WO3-TiO2 Catalysts: Influence of Catalyst Synthesis Method

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

    He, Yuanyuan; Ford, Michael E.; Zhu, Minghui; Liu, Qingcai; Wu, Zili; Wachs, Israel E.

    2016-02-02

    A series of supported WO3/TiO2 catalysts was prepared by a new synthesis procedure involving co-precipitation of an aqueous TiO(OH)2 and (NH4)10W12O41*5H2O slurry under controlled pH conditions. The morphological properties, molecular structures, surface acidity and surface chemistry of the supported WO3/TiO2 catalysts were determined with BET, in situ Raman, in situ IR and temperature-programmed surface reaction (TPSR) spectroscopy, respectively. Isotopic 18O-16O exchange demonstrated that tungsten oxide was exclusively present as surface WOx species on the TiO2 support with mono-oxo W=O coordination. In contrast to previous studies employing impregnation synthesis that found only surface one mono-oxo O=WO4 site on TiO2, the co-precipitationmore » procedure resulted in the formation of two distinct surface WOx species: mono-oxo O=WO4 (~1010-1017 cm-1) on low defect density patches of TiO2 and a second mono-oxo O=WO4 (~983-986 cm-1) on high defect density patches of TiO2. The concentration of the second WOx surface species increases as a function of solution pH. Both surface WOx sites, however, exhibited the same NO/NH3 SCR reactivity. The co-precipitated WO3-TiO2 catalysts synthesized in alkaline solutions exhibited enhanced performance for the NO/NH3 SCR reaction that is ascribed to the greater number of surface defects on the resulting TiO2 support. For the co-precipitated catalyst prepared at pH10, surface NH4+ species on Br nsted acid sites were found to be more reactive than surface NH3* species on Lewis acid sites for SCR of NO with NH3.« less

  17. Structural study of Ni- or Mg-based complexes incorporated within UiO-66-NH{sub 2} framework and their impact on hydrogen sorption properties

    SciTech Connect (OSTI)

    Žunkovič, E.; Mazaj, M.; Mali, G.; Rangus, M.; Devic, T.; Serre, C.; Logar, N. Zabukovec

    2015-05-15

    Nickel and magnesium acetylacetonate molecular complexes were post-synthetically incorporated into microporous zirconium-based MOF (UiO-66-NH{sub 2}) in order to introduce active open-metal sites for hydrogen sorption. Elemental analysis, nitrogen physisorption and DFT calculations revealed that 5 molecules of Ni(acac){sub 2} or 2 molecules of Mg(acac){sub 2} were incorporated into one unit cell of UiO-66-NH{sub 2}. {sup 1}H–{sup 13}C CPMAS and {sup 1}H MAS NMR spectroscopy showed that, although embedded within the pores, both Ni- and Mg-complexes interacted with the UiO-66-NH{sub 2} framework only through weak van der Waals bonds. Inclusion of metal complexes led to the decrease of hydrogen sorption capacities in Ni-modified as well as in Mg-modified samples in comparison with the parent UiO-66-NH{sub 2}. The isosteric hydrogen adsorption enthalpy slightly increased in the case of Ni-modified material, but not in the case of Mg-modified analogue. - Graphical abstract: A post-synthesis impregnation of Mg- and Ni-acetylacetonate complexes performed on zirconium-based MOF UiO-66-NH{sub 2} does influence the hydrogen sorption performance with respect to the parent matrix. The structural study revealed that Mg- and Ni-acetylacetonate molecules interact with zirconium-terephthalate framework only by weak interactions and they are not covalently bonded to aminoterephthalate ligand. Still, they remain confined into the pores even after hydrogen sorption experiments. - Highlights: • Mg- and Ni-acetylacetonate molecules embedded in the pores of UiO-66-NH{sub 2} by PSM. • Molecules of complexes interact with framework only by van der Waals interactions. • Type/structure of deposited metal-complex impact hydrogen enthalpy of adsorption.

  18. Microstructures and properties of CH{sub 3}NH{sub 3}PbI{sub 3?x}Cl{sub x} hybrid solar cells

    SciTech Connect (OSTI)

    Suzuki, Kohei E-mail: oku@mat.usp.ac.jp; Suzuki, Atsushi E-mail: oku@mat.usp.ac.jp; Zushi, Masahito E-mail: oku@mat.usp.ac.jp; Oku, Takeo E-mail: oku@mat.usp.ac.jp

    2015-02-27

    Halide-perovskite CH{sub 3}NH{sub 3}PbI{sub 3} was produced on mesoporous TiO{sub 2} layer by spin-coating a precursor solution of PbCl{sub 2} and CH{sub 3}NH{sub 3}I in dimethylformamide. The role of the annealing process and chlorine (Cl) doping for the perovskite-phase formation was investigated. It was found that crystallization of the perovskite materials was stimulated by the annealing process, and that longer annealing time is necessary for the Cl-doped perovskite compared with that of non-doped perovskite phase.

  19. Solvent extraction of Li+, H3O+ and NH4+ into nitrobenzene by using sodium dicarbollylcobaltate and calix[4]arene-bis(t-octylbenzo-18-crown-6)

    SciTech Connect (OSTI)

    Makrlik, Emanuel; Selucky, P.; Vanura, Petr; Moyer, Bruce A

    2013-01-01

    From extraction experiments and c-activity measurements, the exchange extraction constants corresponding to the general equilibrium M+ (aq) + NaL+ (nb) , ML+ (nb) + Na+ (aq) taking place in the two-phase water nitrobenzene system (M+ = Li+, H3O+, NH+4; L = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, nb = nitrobenzene phase) were evaluated. Furthermore, the stability constants of the ML+ complexes in nitrobenzene saturated with water were calculated; they were found to increase in the following cation order: zH3O+ < Li+ < NH+4.

  20. 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.

  1. Rotational spectrum of the molecular ion NH{sup +} as a probe for {alpha} and m{sub e}/m{sub p} variation

    SciTech Connect (OSTI)

    Beloy, K.; Borschevsky, A.; Hauser, A. W.; Schwerdtfeger, P.; Kozlov, M. G.; Flambaum, V. V.

    2011-06-15

    We identify the molecular ion NH{sup +} as a potential candidate for probing variations in the fine-structure constant {alpha} and electron-to-proton mass ratio {mu}. NH{sup +} has an anomalously low-lying excited {sup 4}{Sigma}{sup -} state, being only a few hundred cm{sup -1} above the ground {sup 2}{Pi} state. Being a light molecule, this proximity is such that rotational levels of the respective states are highly intermixed for low angular momenta. We find that several low-frequency transitions within the collective rotational spectrum experience enhanced sensitivity to {alpha} and {mu} variation. This is attributable to the close proximity of the {sup 2}{Pi} and {sup 4}{Sigma}{sup -} states, as well as the ensuing strong spin-orbit coupling between them. Suggestions that NH{sup +} may exist in interstellar space and recent predictions that trapped-ion precision spectroscopy will be adaptable to molecular ions make NH{sup +} a promising system for future astrophysical and laboratory studies of {alpha} and {mu} variation.

  2. The efficiency limit of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cells

    SciTech Connect (OSTI)

    Sha, Wei E. I.; Ren, Xingang; Chen, Luzhou; Choy, Wallace C. H.

    2015-06-01

    With the consideration of photon recycling effect, the efficiency limit of methylammonium lead iodide (CH{sub 3}NH{sub 3}PbI{sub 3}) perovskite solar cells is predicted by a detailed balance model. To obtain convincing predictions, both AM 1.5 spectrum of Sun and experimentally measured complex refractive index of perovskite material are employed in the detailed balance model. The roles of light trapping and angular restriction in improving the maximal output power of thin-film perovskite solar cells are also clarified. The efficiency limit of perovskite cells (without the angular restriction) is about 31%, which approaches to Shockley-Queisser limit (33%) achievable by gallium arsenide (GaAs) cells. Moreover, the Shockley-Queisser limit could be reached with a 200 nm-thick perovskite solar cell, through integrating a wavelength-dependent angular-restriction design with a textured light-trapping structure. Additionally, the influence of the trap-assisted nonradiative recombination on the device efficiency is investigated. The work is fundamentally important to high-performance perovskite photovoltaics.

  3. Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

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

    Wang, Yun; Huang, Jingsong; Sumpter, Bobby G.; Zhang, Haimin; Liu, Porun; Yang, Huagui; Zhao, Huijun

    2014-12-19

    Organic/inorganic hybrid perovskite materials are highly attractive for dye-sensitized solar cells as demonstrated by their rapid advances in energy conversion efficiency. In this work, the structures, energetics, and electronic properties for a range of stoichiometric surfaces of the orthorhombic perovskite CH3NH3PbI3 are theoretically studied using density functional theory. Various possible spatially and constitutionally isomeric surfaces are considered by diversifying the spatial orientations and connectivities of surface Pb-I bonds. The comparison of the surface energies for the most stable configurations identified for various surfaces shows that the stabilities of stoichiometric surfaces are mainly dictated by the coordination numbers of surface atoms,more » which are directly correlated with the numbers of broken bonds. Additionally, Coulombic interactions between I anions and organic countercations on the surface also contribute to the stabilization. Electronic properties are compared between the most stable (100) surface and the bulk phase, showing generally similar features except for the lifted band degeneracy and the enhanced bandgap energy for the surface. These studies on the stoichiometric surfaces serve as the first step toward gaining a fundamental understanding of the interfacial properties in the current structural design of perovskite based solar cells, in order to achieve further breakthroughs in solar conversion efficiencies.« less

  4. Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

    SciTech Connect (OSTI)

    Wang, Yun; Huang, Jingsong; Sumpter, Bobby G; Zhang, Haimin; Liu, Porun; Yang, Huagui; Zhao, Huijun

    2015-01-01

    Organic/inorganic hybrid perovskite materials are highly attractive for dye-sensitized solar cells as demonstrated by their rapid advances in energy conversion efficiency. In this work, the structures, energetics, and electronic properties for a range of stoichiometric surfaces of the orthorhombic perovskite CH3NH3PbI3 are theoretically studied using density functional theory. Various possible spatially and constitutionally isomeric surfaces are considered by diversifying the spatial orientations and connectivities of surface Pb-I bonds. The comparison of the surface energies for the most stable configurations identified for various surfaces shows that the stabilities of stoichiometric surfaces are mainly dictated by the coordination numbers of surface atoms, which are directly correlated with the numbers of broken bonds. Additionally, Coulombic interactions between I anions and organic countercations on the surface also contribute to the stabilization. Electronic properties are compared between the most stable (100) surface and the bulk phase, showing generally similar features except for the lifted band degeneracy and the enhanced bandgap energy for the surface. These studies on the stoichiometric surfaces serve as the first step toward gaining a fundamental understanding of the interfacial properties in the current structural design of perovskite based solar cells, in order to achieve further breakthroughs in solar conversion efficiencies.

  5. Demonstration of isotype GaN/AlN/GaN heterobarrier diodes by NH{sub 3}-molecular beam epitaxy

    SciTech Connect (OSTI)

    Fireman, Micha N.; Browne, David A.; Mazumder, Baishakhi; Speck, James S.; Mishra, Umesh K.

    2015-05-18

    The results of vertical transport through nitride heterobarrier structures grown by ammonia molecular beam epitaxy are presented. Structures are designed with binary layers to avoid the effects of random alloy fluctuations in ternary nitride barriers. The unintentional incorporation of Ga in the AlN growth is investigated by atom probe tomography and is shown to be strongly dependent on both the NH{sub 3} flowrate and substrate temperature growth parameters. Once nominally pure AlN layer growth conditions are achieved, structures consisting of unintentionally doped (UID) GaN spacer layers adjacent to a nominally pure AlN are grown between two layers of n+ GaN, from which isotype diodes are fabricated. Varying the design parameters of AlN layer thickness, UID spacer layer thickness, and threading dislocation density show marked effects on the vertical transport characteristics of these structures. The lack of significant temperature dependence, coupled with Fowler-Nordheim and/or Milliken-Lauritsen analysis, point to a prevalently tunneling field emission mechanism through the AlN barrier. Once flatband conditions in the UID layer are achieved, electrons leave the barrier with significant energy. This transport mechanism is of great interest for applications in hot electron structures.

  6. RAPID/Roadmap/7-VT-c | Open Energy Information

    Open Energy Info (EERE)

    the Board, the applicable utility, local planning commission, the municipal legislative body of the town in which the system is to be installed, the Planning Division, Agency of...

  7. North Troy, VT Natural Gas Imports by Pipeline from Canada

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    Lease Separation 73 98 82 179 192 1979-2014 Adjustments -15 33 33 -2 2 25 1979-2014 Revision Increases 6 10 12 11 87 60 1979-2014 Revision Decreases 9 6 5 13 8 65 1979-2014 Sales 2 6 51 1 0 2 2000-2014 Acquisitions 0 0 51 0 31 12 2000-2014 Extensions 0 0 0 2 1 1 1979-2014 New Field Discoveries 0 0 0 0 0 0 1979-2014 New Reservoir Discoveries in Old Fields 2 1 0 0 0 0 1979-2014 Estimated Production 7 12 15 13 16 18 Production

    8 0 0 0 0 0 2009-2014 Acquisitions 0 0 0 0 0 0 2009-2014

  8. RAPID/Roadmap/6-VT-b | Open Energy Information

    Open Energy Info (EERE)

    a total land disturbance of equal to or greater than one acre, where those discharges enter waters of Vermont or a conveyance leading to waters of Vermont. 10 V.S.A. ...

  9. Microsoft Word - Allco Comments and Motion to Intervene VT Green...

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

    ... OCS under the No Action Alternative, consumers could obtain oil and gas from other ... For example, BOEM detailed how "Coal consumed in place of gas under the No Action ...

  10. RAPID/Roadmap/18-VT-b | Open Energy Information

    Open Energy Info (EERE)

    and Rebuttable presumption for used oil. Used oil containing more than 1000 ppm total halogens is presumed to be a hazardous waste because it has been mixed with halogenated...

  11. RAPID/Roadmap/3-VT-b | Open Energy Information

    Open Energy Info (EERE)

    controlled by the Department of Forests, Parks and Recreation (FPR), the Department of Fish and Wildlife (DFW), and the Department of Environmental Conservation (DEC). These lands...

  12. Highgate Springs, VT Natural Gas Pipeline Imports From Canada (Million

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

    Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's 7,711 8,136 7,680 8,141 2000's 9,980 7,815 8,421 8,272 8,761 8,392 8,404 8,021 8,106 9,319 2010's 8,895 10,319 8,247 9,769 10,557 12,445

  13. Highgate Springs, VT Natural Gas Pipeline Imports From Canada (Million

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

    Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2011 1,477 1,317 1,172 1,059 690 503 462 433 520 894 706 1,086 2012 1,322 1,116 858 681 409 309 319 323 357 509 914 1,130 2013 1,385 1,223 1,070 752 457 386 401 426 467 663 1,078 1,461 2014 1,588 1,335 1,441 872 574 431 433 435 476 616 995 1,360 2015 1,882 1,615 1,501 874 501 575 581 547 572 1,056 1,299 1,441 2016 1,866 1,651 1,493 1,440 1,156 577

  14. Climate Action Champions: Montpelier, VT | Department of Energy

    Office of Environmental Management (EM)

    - including electricity, heat and transportation - by the year 2030. The city has demonstrated its leadership and innovation in climate mitigation and resilience by creating a ...

  15. Microsoft Word - FY 16 VT Program-Wide Selection Table

    Energy Savers [EERE]

    Ex Parte Memo.docx Microsoft Word - Ex Parte Memo.docx Microsoft Word - Ex Parte Memo.docx (25.34 KB) More Documents & Publications Ex Parte Communication, July 18, 2012 Meeting Ex Parte Memorandum - Natural Resources Defense Council Ex Parte Communication Memorandum

    8 Department of Energy No. 2003-03R Financial Assistance Regulation Date 10/28/03 FINANCIAL ASSISTANCE LETTER Financial Assistance Letter is issued under the authority of the Procurement Executives of DOE and NNSA Subject:

  16. North Troy, VT Natural Gas Imports by Pipeline from Canada

    Gasoline and Diesel Fuel Update (EIA)

    17,273 26,136 27,411 18,467 17,112 19,837 1979-2014 Natural Gas Nonassociated, Wet After Lease Separation 17,220 26,063 27,313 18,385 16,933 19,645 1979-2014 Natural Gas Associated-Dissolved, Wet After Lease Separation 53 73 98 82 179 192 1979-2014 Dry Natural Gas 17,143 26,030 27,337 18,418 17,044 19,722 Separation

    17,220 26,063 27,313 18,385 16,933 19,645 1979-2014 Adjustments 154 -484 144 124 224 177 1979-2014 Revision Increases 1,168 2,594 3,093 2,913 2,527 2,378 1979-2014 Revision

  17. Calorimetric, spectroscopic and structural investigations of phase polymorphism in [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3}. Part I

    SciTech Connect (OSTI)

    Dolega, Diana; Mikuli, Edward; Inaba, Akira; Gorska, Natalia; Holderna-Natkaniec, Krystyna; Nitek, Wojciech

    2013-01-15

    Four crystalline phases of the coordination compound [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3} are identified by adiabatic calorimetry. Three phase transitions, one at T{sub C3}(IV{yields}III)=30.7 K, the second at T{sub C2}(III{yields}II)=91.7 K (both accompanied by comparable entropy changes 3.0 and 3.1 J K{sup -1} mol{sup -1}, respectively) and the third at T{sub C1}(II{yields}I)=241.6 K (accompanied by an entropy change of 8.1 J K{sup -1} mol{sup -1}) were discovered. X-ray single crystal diffraction (at 293 K) demonstrates that phase I is a highly dynamic disordered cubic phase (Fm3{sup Macron }m, No. 225) with two types of BF{sub 4}{sup -} anions differing in a degree of disorder. In phase II (at 170 K) the structure remains cubic (Ia3{sup Macron }, No. 206), with two different types of cations and four different types of anions. Splitting of certain IR bands connected with NH{sub 3} ligands at the observed phase transitions suggests a lowering of the symmetry of the [Ru(NH{sub 3}){sub 6}]{sup 3+} complex cation. Both NH{sub 3} ligands and BF{sub 4}{sup -} anions perform fast reorientations ({tau}{sub R} Almost-Equal-To 10{sup -12} s), which are significantly slowed down below the phase transition at T{sub C3}. {sup 1}H NMR studies led to estimate the values of the activation energy of NH{sub 3} ligands reorientation in the phases II and I as equal to {approx}8 kJ mol{sup -1}. In phase I the whole hexammineruthenium(III) cations reorientation as a tumbling process can be noticed. The activation energy value of this motion is {approx}24 kJ mol{sup -1}. {sup 19}F NMR studies give the values of the activation energy of BF{sub 4}{sup -} anions reorientation as {approx}6 kJ mol{sup -1}. Above the phase transition temperature half of BF{sub 4}{sup -} anions perform a tumbling motion with E{sub a} Almost-Equal-To 8 kJ mol{sup -1}. - Graphical abstract: A series of complementary methods, such as Adiabatic Calorimetry, Differential Scanning Calorimetry, Fourier

  18. van der Waals forces and confinement in carbon nanopores: Interaction between CH4, COOH, NH3, OH, SH and single-walled carbon nanotubes

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

    Weck, Philippe F.; Kim, Eunja; Wang, Yifeng

    2016-04-13

    Interactions between CH4, COOH, NH3, OH, SH and armchair (n,n)(n=4,7,14) and zigzag (n,0)(n=7,12,25) single-walled carbon nanotubes (SWCNTs) have been systematically investigated within the framework of dispersion-corrected density functional theory (DFT-D2). Endohedral and exohedral molecular adsorption on SWCNT walls is energetically unfavorable or weak, despite the use of C6/r6 pairwise London-dispersion corrections. The effects of pore size and chirality on the molecule/SWCNTs interaction were also assessed. Furthermore, chemisorption of COOH, NH3, OH and SH at SWCNT edge sites was examined using a H-capped (7,0) SWCNT fragment and its impact on electrophilic, nucleophilic and radical attacks was predicted by means of Fukuimore » functions.« less

  19. The Origin and Coupling Mechanism of the Magnetoelectric Effect in TM Cl 2 -4SC(NH 2 ) 2 ( TM = Ni and Co)

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

    Mun, Eundeok; Wilcox, Jason; Manson, Jamie L.; Scott, Brian; Tobash, Paul; Zapf, Vivien S.

    2014-01-01

    Most research on multiferroics and magnetoelectric effects to date has focused on inorganic oxides. Molecule-based materials are a relatively new field in which to search for magnetoelectric multiferroics and to explore new coupling mechanisms between electric and magnetic order. We present magnetoelectric behavior in NiCl 2 -4SC(NH 2 ) 2 (DTN) and CoCl 2 -4SC(NH 2 ) 2 (DTC). These compounds form tetragonal structures where the transition metal ion (Ni or Co) is surrounded by four electrically polar thiourea molecules [SC(NH 2 ) 2 ]. By tracking the magnetic and electric properties of these compounds as a function ofmore » magnetic field, we gain insights into the coupling mechanism by observing that, in DTN, the electric polarization tracks the magnetic ordering, whereas in DTC it does not. For DTN, all electrically polar thiourea molecules tilt in the same direction along the c -axis, breaking spatial-inversion symmetry, whereas, for DTC, two thiourea molecules tilt up and two tilt down with respect to c -axis, perfectly canceling the net electrical polarization. Thus, the magnetoelectric coupling mechanism in DTN is likely a magnetostrictive adjustment of the thiourea molecule orientation in response to magnetic order.« less

  20. Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals

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

    Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong

    2015-02-27

    Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm–2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals thanmore » in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less

  1. Modeling of plasma chemistry in an atmospheric pressure Ar/NH{sub 3} cylindrical dielectric barrier discharge described using the one-dimensional fluid model

    SciTech Connect (OSTI)

    Li Zhi [School of Science, University of Science and Technology Liaoning, Anshan 114051 (China); School of Physics and Optoelectronic Engineering, Dalian University of Technology, Dalian 116024 (China); Zhao Zhen [School of Chemistry and Life Science, Anshan Normal University, Anshan 114007 (China); School of Chemical Engineering, University of Science and Technology Liaoning, Anshan 114051 (China); Li Xuehui [Physical Science and Technical College, Dalian University, Dalian 116622 (China)

    2013-01-15

    The keynote of our research is to study the gas phase chemistry in an atmospheric pressure Ar/NH{sub 3} cylindrical dielectric barrier discharge, which is very important to produce the iron-nitride magnetic fluid. For this purpose, a home-made one dimensional fluid model with the Scharfetter-Gummel method has been developed. The equations solved are the particle balances, assuming a drift-diffusion approximation for the fluxes, and the electron energy equation. The self-consistent electric field is obtained by the simultaneous solution of Poisson's equation. The simulations were carried out for the different ammonia concentrations (2%, 3.5%, and 7%), at a voltage of 1 kV, and a driving frequency of 20 kHz. It concluded that the major ion products of Ar are Ar{sup +} and Ar{sub 2}{sup +}. Ar{sup +} is the most important positive ions, followed by Ar{sub 2}{sup +}. It is shown that the NH{sup +} density is smaller than that of the other ammonia ions. The density of NH{sub 4}{sup +} is more than that of the other ammonia ions when the ammonia concentration increased. The diffuse mode can be established after the discharge was ignited, and the mode changes to filamentary mode with an increase in ammonia concentration.

  2. Effects of Alkali and Alkaline Earth Cocations on the Activity and Hydrothermal Stability of Cu/SSZ-13 NH3-SCR Catalysts

    SciTech Connect (OSTI)

    Gao, Feng; Wang, Yilin; Washton, Nancy M.; Kollar, Marton; Szanyi, Janos; Peden, Charles HF

    2015-10-13

    Using a three-step aqueous solution ion-exchange method, cocation modified Cu/SSZ-13 SCR catalysts were synthesized. These catalysts, in both fresh and hydrothermally aged forms, were characterized with several methods including temperature-programmed reduction by H2 (H2-TPR), temperature-programmed desorption of NH3 (NH3-TPD), and 27Al solid-state nuclear magnetic resonance (NMR) and diffuse reflectance Infrared Fourier Transform (DRIFT) spectroscopies. Their catalytic performance was probed using steady-state standard NH3-SCR. Characterization results indicate that cocations weaken interactions between Cu-ions and the CHA framework making them more readily reducible. By removing a portion of Brønsted acid sites, cocations also help to mitigate hydrolysis of the zeolite catalysts during hydrothermal aging as evidenced from 27Al NMR. Reaction tests show that certain cocations, especially Li+ and Na+, promote low-temperature SCR rates while others show much less pronounced effects. In terms of applications, our results indicate that introducing cocations can be a viable strategy to improve both low- and high-temperature performance of Cu/SSZ-13 SCR catalysts.

  3. Synthesis, crystal growth, structural and magnetic characterization of NH4MCl2(HCOO), M=(Fe, Co, Ni)

    SciTech Connect (OSTI)

    Greenfield, Joshua T.; Ovidiu Garlea, V.; Kamali, Saeed; Chen, Michael; Kovnir, Kirill

    2015-09-24

    In this paper, an ambient-pressure solution route and an improved solvothermal synthetic method have been developed to produce polycrystalline powders and large single crystals of NH4MCl2(HCOO) (M=Fe, Co, Ni). The magnetic structure of the 1D linear chain compound NH4FeCl2(HCOO) has been determined by low-temperature neutron powder diffraction, revealing ferromagnetic intra-chain interactions and antiferromagnetic inter-chain interactions. Finally, the newly-reported Co and Ni analogs are isostructural with NH4FeCl2(HCOO), but there are significant differences in the magnetic properties of each compound; the Ni analog behaves similarly to the Fe compound but with stronger magnetic coupling, exhibiting antiferromagnetic ordering (TN=8.5 K) and a broad metamagnetic transition between 2 and 5 T, while the Co analog does not order magnetically above 2 K, despite strong antiferromagnetic nearest-neighbor interactions.

  4. Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals

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

    Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong

    2015-02-27

    Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm–2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals thanmore »in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less

  5. Microsoft Word - figure_99.doc

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    7 U.S. Energy Information Administration | Natural Gas Annual Figure 6. Natural gas processing in the United States and the Gulf of Mexico, 2014 (million cubic feet) None 1-15,000 15,001-100,000 100,001-200,000 200,001-500,000 500,001 and over Sources: Energy Information Administration (EIA), Form EIA-64A, "Annual Report of the Origin of Natural Gas Liquids Production." IN OH TN WV VA KY MD PA NY VT NH MA CT ME RI DE DC NC SC GA FL NJ AL MS LA MO AR TX NM OK CO KS UT AZ WY NE IL IA MN

  6. Word Pro - Untitled1

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

    State-Level Energy Consumption Estimates and Estimated Consumption per Capita, 2010 Consumption Consumption per Capita 14 U.S. Energy Information Administration / Annual Energy Review 2011 TX CA FL LA IL OH PA NY GA IN MI NC VA NJ TN WA KY AL MO MN WI SC OK CO IA MD AZ MA MS KS AR OR NE UT CT WV NM NV AK WY ID ND ME MT SD NH HI DE RI DC VT 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 0 2 4 6 8 10

  7. Exploiting parameter space in MOFs: a 20-fold enhancement of phosphate-ester hydrolysis with UiO-66-NH 2

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

    Katz, Michael J.; Moon, Su-Young; Mondloch, Joseph E.; Beyzavi, M. Hassan; Stephenson, Casey J.; Hupp, Joseph T.; Farha, Omar K.

    2015-02-24

    The hydrolysis of nerve agents is of primary concern due to the severe toxicity of these agents. Using a MOF-based catalyst (UiO-66), we have previously demonstrated that the hydrolysis can occur with relatively fast half-lives of 50 minutes. However, these rates are still prohibitively slow to be efficiently utilized for some practical applications (e.g., decontamination wipes used to clean exposed clothing/skin/vehicles). We thus turned our attention to derivatives of UiO-66 in order to probe the importance of functional groups on the hydrolysis rate. Three UiO-66 derivatives were explored; UiO-66-NO2 and UiO-66-(OH)2 showed little to no change in hydrolysis rate. However,more » UiO-66-NH2 showed a 20 fold increase in hydrolysis rate over the parent UiO-66 MOF. Half-lives of 1 minute were observed with this MOF. In order to probe the role of the amino moiety, we turned our attention to UiO-67, UiO-67-NMe2 and UiO-67-NH2. In these MOFs, the amino moiety is in close proximity to the zirconium node. We observed that UiO-67-NH2 is a faster catalyst than UiO-67 and UiO-67-NMe2. We conclude that the role of the amino moiety is to act as a proton-transfer agent during the catalytic cycle and not to hydrogen bond or to form a phosphorane intermediate.« less

  8. Regulatory Safety Issues in the Structural Design Criteria of ASME Section III Subsection NH and for Very High Temperatures for VHTR & GEN IV

    SciTech Connect (OSTI)

    William J. O’Donnell; Donald S. Griffin

    2007-05-07

    The objective of this task is to identify issues relevant to ASME Section III, Subsection NH [1], and related Code Cases that must be resolved for licensing purposes for VHTGRs (Very High Temperature Gas Reactor concepts such as those of PBMR, Areva, and GA); and to identify the material models, design criteria, and analysis methods that need to be added to the ASME Code to cover the unresolved safety issues. Subsection NH was originally developed to provide structural design criteria and limits for elevated-temperature design of Liquid Metal Fast Breeder Reactor (LMFBR) systems and some gas-cooled systems. The U.S. Nuclear Regulatory Commission (NRC) and its Advisory Committee for Reactor Safeguards (ACRS) reviewed the design limits and procedures in the process of reviewing the Clinch River Breeder Reactor (CRBR) for a construction permit in the late 1970s and early 1980s, and identified issues that needed resolution. In the years since then, the NRC and various contractors have evaluated the applicability of the ASME Code and Code Cases to high-temperature reactor designs such as the VHTGRs, and identified issues that need to be resolved to provide a regulatory basis for licensing. This Report describes: (1) NRC and ACRS safety concerns raised during the licensing process of CRBR , (2) how some of these issues are addressed by the current Subsection NH of the ASME Code; and (3) the material models, design criteria, and analysis methods that need to be added to the ASME Code and Code Cases to cover unresolved regulatory issues for very high temperature service.

  9. Synthesis and Evaluation of Cu/SAPO-34 Catalysts for NH3-SCR 2: Solid-state Ion Exchange and One-pot Synthesis

    SciTech Connect (OSTI)

    Gao, Feng; Walter, Eric D.; Washton, Nancy M.; Szanyi, Janos; Peden, Charles HF

    2015-01-01

    Cu-SAPO-34 catalysts are synthesized using two methods: solid-state ion exchange (SSIE) and one-pot synthesis. SSIE is conducted by calcining SAPO-34/CuO mixtures at elevated temperatures. For the one-pot synthesis method, Cu-containing chemicals (CuO and CuSO4) are added during gel preparation. A high-temperature calcination step is also needed for this method. Catalysts are characterized with surface area/pore volume measurements, temperature programmed reduction (TPR), electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) spectroscopies, and scanning electron microscopy (SEM). Catalytic properties are examined using standard ammonia selective catalytic reduction (NH3-SCR) and ammonia oxidation reactions. In Cu-SAPO-34 samples formed using SSIE, Cu presents both as isolated Cu2+ ions and unreacted CuO. The former is highly active and selective in NH3-SCR, while the latter catalyzes a side reaction; notably, the non-selective oxidation of NH3 above 350 ºC. Using the one-pot method followed by a high-temperature aging treatment, it is possible to form Cu SAPO-34 samples with predominately isolated Cu2+ ions at low Cu loadings. However at much higher Cu loadings, isolated Cu2+ ions that bind weakly with the CHA framework and CuO clusters also form. These Cu moieties are very active in catalyzing non-selective NH3 oxidation above 350 ºC. Low-temperature reaction kinetics indicate that Cu-SAPO-34 samples formed using SSIE have core-shell structures where Cu is enriched in the shell layers; while Cu is more evenly distributed within the one-pot samples. Reaction kinetics also suggest that at low temperatures, the local environment next to Cu2+ ion centers plays little role on the overall catalytic properties. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office for the support of this work. The research described in this paper was performed at the Environmental

  10. Effects of gaseous NH{sub 3} and SO{sub 2} on the concentration profiles of PCDD/F in flyash under post-combustion zone conditions

    SciTech Connect (OSTI)

    Hajizadeh, Yaghoub; Onwudili, Jude A.; Williams, Paul T.

    2012-07-15

    Highlights: Black-Right-Pointing-Pointer Influence of NH{sub 3} and SO{sub 2} on 2378-PCDD/F in flyash and flue gases was investigated. Black-Right-Pointing-Pointer NH{sub 3} decreased the concentration of PCDD and PCDF by 34-75% in the flyash. Black-Right-Pointing-Pointer NH{sub 3} decreased the concentration of PCDD and PCDF by 21-40% from the flue gases. Black-Right-Pointing-Pointer SO{sub 2} led to 99% PCDD and 93% PCDF reductions in the flyash. Black-Right-Pointing-Pointer SO{sub 2} led to 89% PCDD and 76% PCDF reductions in the flue gases. - Abstract: The influence of gaseous ammonia and sulphur dioxide on the formation of 2378-substituted PCDD/F on a reference flyash from a municipal waste incinerator has been investigated using a laboratory scale fixed-bed reactor. The reference flyash samples (BCR-490) was reacted under a simulated flue gas stream at temperatures of 225 and 375 Degree-Sign C for 96 h. The experiments were carried out in two series: first with simulated flue gas alone, and then with injection of NH{sub 3} or SO{sub 2} gas into the flue gas just before the reactor inlet. It was found that the injection of gaseous ammonia into the flue gas could decrease the concentration of both PCDD and PCDF by 34-75% from the solid phase and by 21-40% from the gas phase. Converting the results to I-TEQ values, it could reduce the total I-TEQ values of PCDD and PCDF in the sum of the flyash and exhaust flue gas by 42-75% and 24-57% respectively. The application of SO{sub 2} led to 99% and 93% reductions in the PCDD and PCDF average congener concentrations, respectively in the solid phase. In the gas phase, the total reductions were 89% and 76% for PCDD and PCDF, respectively. Moreover, addition of SO{sub 2} reduced the total I-TEQ value of PCDD and PCDF in the flyash and exhaust flue gas together by 60-86% and 72-82% respectively. Sulphur dioxide was more effective than ammonia in suppressing PCDD/F formation in flyash under the conditions investigated.

  11. Quantum wells on 3C-SiC/NH-SiC heterojunctions. Calculation of spontaneous polarization and electric field strength in experiments

    SciTech Connect (OSTI)

    Sbruev, I. S.; Sbruev, S. B.

    2010-10-15

    The results of experiments with quantum wells on 3C-SiC/4H-SiC and 3C-SiC/6H-SiC heterojunctions obtained by various methods are reconsidered. Spontaneous polarizations, field strengths, and energies of local levels in quantum wells on 3C-SiC/NH-SiC heterojunctions were calculated within a unified model. The values obtained are in agreement with the results of all considered experiments. Heterojunction types are determined. Approximations for valence band offsets on heterojunctions between silicon carbide polytypes and the expression for calculating local levels in quantum wells on the 3C-SiC/NH-SiC heterojunction are presented. The spontaneous polarizations and field strengths induced by spontaneous polarization on 3C-SiC/4H-SiC and 3C-SiC/6H-SiC heterojunctions were calculated as 0.71 and 0.47 C/m{sup 2} and 0.825 and 0.55 MV/cm, respectively.

  12. AFFECTS OF MECHANICAL MILLING AND METAL OXIDE ADDITIVES ON SORPTION KINETICS OF 1:1 LiNH2/MgH2 MIXTURE

    SciTech Connect (OSTI)

    Erdy, C.; Anton, D.; Gray, J.

    2010-12-08

    The destabilized complex hydride system composed of LiNH{sub 2}:MgH{sub 2} (1:1 molar ratio) is one of the leading candidates of hydrogen storage with a reversible hydrogen storage capacity of 8.1 wt%. A low sorption enthalpy of {approx}32 kJ/mole H{sub 2} was first predicted by Alapati et al. utilizing first principle density function theory (DFT) calculations and has been subsequently confirmed empirically by Lu et al. through differential thermal analysis (DTA). This enthalpy suggests that favorable sorption kinetics should be obtainable at temperatures in the range of 160 C to 200 C. Preliminary experiments reported in the literature indicate that sorption kinetics are substantially lower than expected in this temperature range despite favorable thermodynamics. Systematic isothermal and isobaric sorption experiments were performed using a Sievert's apparatus to form a baseline data set by which to compare kinetic results over the pressure and temperature range anticipated for use of this material as a hydrogen storage media. Various material preparation methods and compositional modifications were performed in attempts to increase the kinetics while lowering the sorption temperatures. This paper outlines the results of these systematic tests and describes a number of beneficial additions which influence kinetics as well as NH{sub 3} formation.

  13. METALLICITIES, DUST, AND MOLECULAR CONTENT OF A QSO-DAMPED Ly{alpha} SYSTEM REACHING log N(H I) = 22: AN ANALOG TO GRB-DLAs

    SciTech Connect (OSTI)

    Guimaraes, R.; Noterdaeme, P.; Petitjean, P.; Ledoux, C.; Srianand, R.; Rahmani, H.; Lopez, S.

    2012-06-15

    We present the elemental abundance and H{sub 2} content measurements of a damped Ly{alpha} (DLA) system with an extremely large H I column density, log N(H I) (cm{sup -2}) = 22.0 {+-} 0.10, at z{sub abs} = 3.287 toward the QSO SDSS J081634+144612. We measure column densities of H{sub 2}, C I, C I*, Zn II, Fe II, Cr II, Ni II, and Si II from a high signal-to-noise and high spectral resolution VLT-UVES spectrum. The overall metallicity of the system is [Zn/H] = -1.10 {+-} 0.10 relative to solar. Two molecular hydrogen absorption components are seen at z = 3.28667 and 3.28742 (a velocity separation of Almost-Equal-To 52 km s{sup -1}) in rotational levels up to J = 3. We derive a total H{sub 2} column density of log N(H{sub 2}) (cm{sup -2}) = 18.66 and a mean molecular fraction of f = 2N(H{sub 2})/[2N(H{sub 2}) + N(H I)] = 10{sup -3.04{+-}0.37}, typical of known H{sub 2}-bearing DLA systems. From the observed abundance ratios we conclude that dust is present in the interstellar medium of this galaxy, with an enhanced abundance in the H{sub 2}-bearing clouds. However, the total amount of dust along the line of sight is not large and does not produce any significant reddening of the background QSO. The physical conditions in the H{sub 2}-bearing clouds are constrained directly from the column densities of H{sub 2} in different rotational levels, C I and C I*. The kinetic temperature is found to be T Almost-Equal-To 75 K and the particle density lies in the range n{sub H} = 50-80 cm{sup -3}. The neutral hydrogen column density of this DLA is similar to the mean H I column density of DLAs observed at the redshift of {gamma}-ray bursts (GRBs). We explore the relationship between GRB-DLAs and the high column density end of QSO-DLAs finding that the properties (metallicity and depletion) of DLAs with log N(H I) > 21.5 in the two populations do not appear to be significantly different.

  14. Influence of catalyst synthesis method on selective catalytic reduction (SCR) of NO by NH3 with V2O5-WO3/TiO2 catalysts

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

    He, Yuanyuan; Ford, Michael E.; Zhu, Minghui; Liu, Qingcai; Tumuluri, Uma; Wu, Zili; Wachs, Israel E.

    2016-04-14

    We compared the molecular structures, surface acidity and catalytic activity for NO/NH3/O2 SCR of V2O5-WO3/TiO2 catalysts for two different synthesis methods: co-precipitation of aqueous vanadium and tungsten oxide precursors with TiO(OH)2 and by incipient wetness impregnation of the aqueous precursors on a reference crystalline TiO2 support (P25; primarily anatase phase). Bulk analysis by XRD showed that co-precipitation results in small and/or poorly ordered TiO2(anatase) particles and that VOx and WOx do not form solid solutions with the bulk titania lattice. Surface analysis of the co-precipitated catalyst by High Sensitivity-Low Energy Ion Scattering (HS-LEIS) confirms that the VOx and WOx aremore » surface segregated for the co-precipitated catalysts. In situ Raman and IR spectroscopy revealed that the vanadium and tungsten oxide components are present as surface mono-oxo O = VO3 and O = WO4 sites on the TiO2 supports. Co-precipitation was shown for the first time to also form new mono-oxo surface VO4 and WO4 sites that appear to be anchored at surface defects of the TiO2 support. IR analysis of chemisorbed ammonia showed the presence of both surface NH3* on Lewis acid sites and surface NH4+* on Brønsted acid sites. TPSR spectroscopy demonstrated that the specific SCR kinetics was controlled by the redox surface VO4 species and that the surface kinetics was independent of TiO2 synthesis method or presence of surface WO5 sites. SCR reaction studies revealed that the surface WO5 sites possess minimal activity below ~325 °C and their primary function is to increase the adsorption capacity of ammonia. A relationship between the SCR activity and surface acidity was not found. The SCR reaction is controlled by the surface VO4 sites that initiate the reaction at ~200 °C. The co-precipitated catalysts were always more active than the corresponding impregnated catalysts. Finally, we ascribe the higher activity of the co-precipitated catalysts to the presence of

  15. Simplification of femtosecond transient absorption microscopy data from CH3NH3PbI3 perovskite thin films into decay associated amplitude maps

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

    Doughty, Benjamin; Simpson, Mary Jane; Yang, Bin; Xiao, Kai; Ma, Ying -Zhong

    2016-02-16

    This work aims to simplify multi-dimensional femtosecond transient absorption microscopy (TAM) data into decay associated amplitude maps that describe the spatial distributions of dynamical processes occurring on various characteristic timescales. Application of this method to TAM data obtained from a model methyl-ammonium lead iodide (CH3NH3PbI3) perovskite thin film allows us to simplify the dataset consisting of a 68 time-resolved images into 4 decay associated amplitude maps. These maps provide a simple means to visualize the complex electronic excited-state dynamics in this system by separating distinct dynamical processes evolving on characteristic timescales into individual spatial images. This approach provides new insightmore » into subtle aspects of ultrafast relaxation dynamics associated with excitons and charge carriers in the perovskite thin film, which have recently been found to coexist at spatially distinct locations.« less

  16. Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal

    SciTech Connect (OSTI)

    Yang, Ye; Yan, Yong; Yang, Mengjin; Choi, Sukgeun; Zhu, Kai; Luter, Joseph M.; Beard, Matthew C.

    2015-08-06

    Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows sufficient characteristics, the surface recombination, which can have major impact on the solar cell performance, has not been studied. Here we measure surface recombination dynamics in CH3NH3PbBr3 perovskite single crystals using broadband transient reflectance spectroscopy. The surface recombination velocity is found to be 3.4±0.1 103 cm s-1, B2–3 orders of magnitude lower than that in many important unpassivated semiconductors employed in solar cells. Our result suggests that the planar grain size for the perovskite thin films should be larger thanB30 mm to avoid the influence of surface recombination on the effective carrier lifetime.

  17. Qualifying composition dependent p and n self-doping in CH{sub 3}NH{sub 3}PbI{sub 3}

    SciTech Connect (OSTI)

    Wang, Qi; Shao, Yuchuan; Huang, Jinsong; Xie, Haipeng; Lyu, Lu; Liu, Xiaoliang; Gao, Yongli

    2014-10-20

    We report the observation of self-doping in perovskite. CH{sub 3}NH{sub 3}PbI{sub 3} was found to be either n- or p-doped by changing the ratio of methylammonium halide (MAI) and lead iodine (PbI{sub 2}) which are the two precursors for perovskite formation. MAI-rich and PbI{sub 2}-rich perovskite films are p and n self-doped, respectively. Thermal annealing can convert the p-type perovskite to n-type by removing MAI. The carrier concentration varied as much as six orders of magnitude. A clear correlation between doping level and device performance was also observed.

  18. Origin and elimination of photocurrent hysteresis by fullerene passivation in CH3NH3PbI3 planar heterojunction solar cells

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

    Shao, Yuchuan; Xiao, Zhengguo; Bi, Cheng; Yuan, Yongbo; Huang, Jinsong

    2014-12-15

    The large photocurrent hysteresis observed in many organometal trihalide perovskite solar cells has become a major hindrance impairing the ultimate performance and stability of these devices, while its origin was unknown. Here we demonstrate the trap states on the surface and grain boundaries of the perovskite materials to be the origin of photocurrent hysteresis and that the fullerene layers deposited on perovskites can effectively passivate these charge trap states and eliminate the notorious photocurrent hysteresis. Fullerenes deposited on the top of the perovskites reduce the trap density by two orders of magnitude and double the power conversion efficiency of CH3NH3PbI3more » solar cells. As a result, the elucidation of the origin of photocurrent hysteresis and its elimination by trap passivation in perovskite solar cells provides important directions for future enhancements to device efficiency.« less

  19. Interaction of vacuum ultraviolet light with a low-k organosilicate glass film in the presence of NH{sub 3}

    SciTech Connect (OSTI)

    Behera, Swayambhu; Lee, Joe; Graves, David; Gaddam, Sneha; Pokharel, Sundari; Wilks, Justin; Pasquale, Frank; Kelber, Jeffry A.

    2010-07-19

    In situ x-ray photoemission spectroscopy (XPS) and ex situ Fourier transform infrared spectroscopy (FTIR) were used to characterize effects on organosilicate films of 147 nm irradiation in the presence of 10{sup -4} Torr NH{sub 3}. XPS and FTIR data indicate Si-O and Si-C bond scission, with nitridation only at Si sites. Photoirradiation causes the surface layer to become enriched in sp{sup 2} carbon. FTIR spectra of silanol formation upon exposure to ambient indicate reactive sites in the bulk have lifetimes of up to six days. XPS data indicate lifetimes of approxminutes for surface states. Nitrogen uptake passivates with longer exposure times, indicating surface densification.

  20. New operation strategy for driving the selectivity of NOx reduction to N2, NH3 or N2O during lean/rich cycling of a lean NOx trap catalyst

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

    Mráček, David; Koci, Petr; Choi, Jae -Soon; Partridge, Jr., William P.

    2015-09-08

    Periodical regeneration of NOx storage catalyst (also known as lean NOx trap) by short rich pulses of CO, H2 and hydrocarbons is necessary for the reduction of nitrogen oxides adsorbed on the catalyst surface. Ideally, the stored NOx is converted into N2, but N2O and NH3 by-products can be formed as well, particularly at low-intermediate temperatures. The N2 and N2O products are formed concurrently in two peaks. The primary peaks appear immediately after the rich-phase inception, and tail off with the breakthrough of the reductant front accompanied by NH3 product. In addition, the secondary N2 and N2O peaks then appearmore » at the rich-to-lean transition as a result of reactions between surface-deposited reductants/intermediates (CO, HC, NH3, — NCO) and residual stored NOx under increasingly lean conditions.« less

  1. U.S. Energy Information Administration (EIA)

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    System (in Highgate Springs, VT), as well as the Portland Gas Transmission Pipeline in Pittsburg, NH (via TransCanada's Trans-Quebec and Maritimes Pipeline). Overview: (For the...

  2. " Million Housing Units, Final...

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

    8 Water Heating in U.S. Homes in Northeast Region, Divisions, and States, 2009" " Million ... Northeast",,,"CT, ME, NH, RI, VT" "Water Heating",,,,"MA",,,"NY","PA","NJ" "Total ...

  3. Infrared laser induced population transfer and parity selection in {sup 14}NH{sub 3}: A proof of principle experiment towards detecting parity violation in chiral molecules

    SciTech Connect (OSTI)

    Dietiker, P.; Miloglyadov, E.; Quack, M. Schneider, A.; Seyfang, G.

    2015-12-28

    We have set up an experiment for the efficient population transfer by a sequential two photon—absorption and stimulated emission—process in a molecular beam to prepare quantum states of well defined parity and their subsequent sensitive detection. This provides a proof of principle for an experiment which would allow for parity selection and measurement of the time evolution of parity in chiral molecules, resulting in a measurement of the parity violating energy difference Δ{sub pv}E between enantiomers of chiral molecules. Here, we present first results on a simple achiral molecule demonstrating efficient population transfer (about 80% on the average for each step) and unperturbed persistence of a selected excited parity level over flight times of about 1.3 ms in the beam. In agreement with model calculations with and without including nuclear hyperfine structure, efficient population transfer can be achieved by a rather simple implementation of the rapid adiabatic passage method of Reuss and coworkers and considering also the stimulated Raman adiabatic passage technique of Bergmann and coworkers as an alternative. The preparation step uses two powerful single mode continuous wave optical parametric oscillators of high frequency stability and accuracy. The detection uses a sensitive resonantly enhanced multiphoton ionization method after free flight lengths of up to 0.8 m in the molecular beam. Using this technique, we were able to also resolve the nuclear hyperfine structure in the rovibrational levels of the ν{sub 1} and ν{sub 3} fundamentals as well as the 2ν{sub 4} overtone of {sup 14}NH{sub 3}, for which no previous data with hyperfine resolution were available. We present our new results on the quadrupole coupling constants for the ν{sub 1}, ν{sub 3}, and 2ν{sub 4} levels in the context of previously known data for ν{sub 2} and its overtone, as well as ν{sub 4}, and the ground state. Thus, now, {sup 14}N quadrupole coupling constants for all

  4. Partially disordered antiferromagnetism and multiferroic behavior in a frustrated Ising system CoCl2–2SC(NH2)2

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

    Mun, Eundeok; Weickert, Dagmar Franziska; Kim, Jaewook; Scott, Brian L.; Miclea, Corneliu Florin; Movshovich, Roman; Wilcox, Jason; Manson, Jamie; Zapf, Vivien S.

    2016-03-07

    We investigate partially disordered antiferromagnetism in CoCl2-2SC(NH2)2, in which ab-plane hexagonal layers are staggered along the c axis rather than stacked. A robust 1/3 state forms in applied magnetic fields in which the spins are locked, varying as a function of neither temperature nor field. By contrast, in zero field and applied fields at higher temperatures, partial antiferromagnetic order occurs, in which free spins are available to create a Curie-like magnetic susceptibility. We report measurements of the crystallographic structure and the specific heat, magnetization, and electric polarization down to T = 50mK and up to μ0H = 60T. The Co2+more » S = 3/2 spins are Ising-like and form distorted hexagonal layers. The Ising energy scale is well separated from the magnetic exchange, and both energy scales are accessible to the measurements, allowing us to cleanly parametrize them. In transverse fields, a quantum Ising phase transition can be observed at 2 T. Lastly, we find that magnetic exchange striction induces changes in the electric polarization up to 3μC/m2, and single-ion magnetic anisotropy effects induce a much larger electric polarization change of 300μC/m2.« less

  5. Application of x-ray tomography to optimization of new NOx/NH3 mixed potential sensors for vehicle on-board emissions control

    SciTech Connect (OSTI)

    Nelson, Mark A; Brosha, Eric L; Mukundan, Rangachary; Garzon, Fernando H

    2009-01-01

    Mixed potential sensors for the detection of hydrocarbons, NO{sub x}, and NH{sub 3} have been previously developed at Los Alamos National Laboratory (LANL). The LANL sensors have a unique design incorporating dense ceramic-pelletlmetal-wire electrodes and porous electrolytes. The performance of current-biased sensors using an yttria-stabilized zirconia (YSZ) electrolyte and platinum and La{sub 0.8}Sr{sub 0.2}CrO{sub 3} electrodes is reported. X-ray tomography has been applied to non-destructively examine internal structures of these sensors. NO{sub x} and hydrocarbon response of the sensors under various bias conditions is reported, and very little NO{sub x} response hysteresis was observed. The application of a 0.6 {mu}A bias to these sensors shifts the response from a hydrocarbon response to a NO{sub x} response equal for both NO and NO{sub 2} species at approximately 500 {sup o}C in air.

  6. LOW-TEMPERATURE ION TRAP STUDIES OF N{sup +}({sup 3} P{sub ja} ) + H{sub 2}(j) {yields} NH{sup +} + H

    SciTech Connect (OSTI)

    Zymak, I.; Hejduk, M.; Mulin, D.; Plasil, R.; Glosik, J.; Gerlich, D.

    2013-05-01

    Using a low-temperature 22-pole ion trap apparatus, detailed measurements for the title reaction have been performed between 10 K and 100 K in order to get some state specific information about this fundamental hydrogen abstraction process. The relative population of the two lowest H{sub 2} rotational states, j = 0 and 1, has been varied systematically. NH{sup +} formation is nearly thermo-neutral; however, to date, the energetics are not known with the accuracy required for low-temperature astrochemistry. Additional complications arise from the fact that, so far, there is no reliable theoretical or experimental information on how the reactivity of the N{sup +} ion depends on its fine-structure (FS) state {sup 3} P{sub ja} . Since in the present trapping experiment, thermalization of the initially hot FS population competes with hydrogen abstraction, the evaluation of the decay of N{sup +} ions over long storage times and at various He and H{sub 2} gas densities provides information on these processes. First assuming strict adiabatic behavior, a set of state specific rate coefficients is derived from the measured thermal rate coefficients. In addition, by recording the disappearance of the N{sup +} ions over several orders of magnitude, information on nonadiabatic transitions is extracted including FS-changing collisions.

  7. Conversion efficiency improvement of inverted CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cells with room temperature sputtered ZnO by adding the C{sub 60} interlayer

    SciTech Connect (OSTI)

    Lai, Wei-Chih Chen, Peter; Lin, Kun-Wei; Wang, Yuan-Ting; Guo, Tzung-Fang

    2015-12-21

    We have demonstrated the performance of inverted CH{sub 3}NH{sub 3}PbI{sub 3} perovskite-based solar cells (SCs) with a room temperature (RT) sputtered ZnO electron transport layer by adding fullerene (C{sub 60}) interlayer. ZnO exhibits a better matched conduction band level with perovskite and Al work function and around energy offset of 2.2 eV between highest occupied molecular orbital level of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite and valance band level of ZnO. However, the CH{sub 3}NH{sub 3}PbI{sub 3} perovskite layer will be damaged during direct RT sputtering deposition of ZnO. Therefore, the C{sub 60} interlayer having matched conduction band level with ZnO and CH{sub 3}NH{sub 3}PbI{sub 3} perovskite added between the CH{sub 3}NH{sub 3}PbI{sub 3} perovskite and RT sputtered ZnO layers for protection prevents sputtering damages on the CH{sub 3}NH{sub 3}PbI{sub 3} perovskite layer. The short-circuit current density (J{sub SC}, 19.41 mA/cm{sup 2}) and open circuit voltage (V{sub OC}, 0.91 V) of the SCs with glass/ITO/poly(3,4-ethylenedioxythiophene):poly(styrene-sulfonate) (PEDOT:PSS)/perovskite/C{sub 60}/RT sputtered ZnO/Al structure is higher than the J{sub SC} (16.23 mA/cm{sup 2}) and V{sub OC} (0.90 V) of the reference SC with glass/ITO/PEDOT:PSS/perovskite/C{sub 60}/bathocuproine (BCP)/Al structure. Although the SCs with the former structure has a lower fill factor (FF%) than the SCs with the latter structure, its conversion efficiency η% (10.93%) is higher than that (10.6%) of the latter.

  8. Determination of structure and phase transition of light element nanocomposites in mesoporous silica: case study of NH3BH3 in MCM-41

    SciTech Connect (OSTI)

    Kim, Hyun Jeong; Karkamkar, Abhijeet J.; Autrey, Thomas; Chupas, Peter; Proffen, Thomas E.

    2009-09-30

    The structure of ammonia borane (AB), NH3BH3, infused in mesoporous silica MCM-41 and its evolution over the temperature range of 80 to 300 K was investigated using the atomic pair distribution function (PDF) analysis of synchrotron X-ray powder diffraction data in order to understand the origin of improved dehydrogenation properties of the system. Our study shows how X-ray PDF analysis can be used to elucidate the structure of light guest species loaded in mesoporous silica materials despite of its low scattering power of composed elements (N, B, and H) compared to its host (SiO2). PDF analyses of two AB-loaded compositions with weight ratio AB:MCM-41=1:1 and 3:1 provide a strong evidence that AB aggregate, previously found in AB:MCM-41?1:1 samples, is same species as neat AB. For both of them an orthorhombic to tetragonal structural phase transition occurs at 225 K on warming. On the other hand, AB residing inside meso-pores, which is found in AB:MCM-41=1:2 sample, does not undergo such phase transition. It rather stays in tetragonal phase over a wide temperature range of 110 to 240 K and starts to lose structural correlation above 240 K. This strongly suggests that nano-confinement of AB inside meso-pores stabilizes high temperature tetragonal phase at much lower temperature. These results provide important clues to two critical questions: why nan-compositions of AB leads dehydrogenation to lower temperature and why the neat AB like propoerties are recovered at high AB loading samples. This work was supported by the US Department of Energy Office of Basic Energy Sciences, Chemical Sciences program. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  9. Formation and consumption of NO in H{sub 2} + O{sub 2} + N{sub 2} flames doped with NO or NH{sub 3} at atmospheric pressure

    SciTech Connect (OSTI)

    Shmakov, A.G.; Chernov, A.A.; Knyazkov, D.A.; Bolshova, T.A.; Korobeinichev, O.P.; Rybitskaya, I.V.; Konnov, A.A.

    2010-03-15

    Flat premixed burner-stabilized H{sub 2} + O{sub 2} + N{sub 2} flames, neat or doped with 300-1000 ppm of NO or NH{sub 3}, were studied experimentally using molecular-beam mass-spectrometry and simulated numerically. Spatial profiles of temperature and concentrations of stable species, H{sub 2}, O{sub 2}, H{sub 2}O, NO, NH{sub 3}, and of H and OH radicals obtained at atmospheric pressure in lean ({phi} = 0.47), near-stoichiometric ({phi} = 1.1) and rich ({phi} = 2.0) flames are reported. Good agreement between measured and calculated structure of lean and near-stoichiometric flames was found. Significant discrepancy between simulated and measured profiles of NO concentration was observed in the rich flames. Sensitivity and reaction path analyses revealed reactions responsible for the discrepancy. Modification to the model was proposed to improve an overall agreement with the experiment. (author)

  10. Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals

    SciTech Connect (OSTI)

    Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong

    2015-02-27

    Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm–2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals than in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.

  11. Electrical and physical characterization of the Al{sub 2}O{sub 3}/p-GaSb interface for 1%, 5%, 10%, and 22% (NH{sub 4}){sub 2}S surface treatments

    SciTech Connect (OSTI)

    Peralagu, Uthayasankaran Thayne, Iain G.; Povey, Ian M.; Carolan, Patrick; Lin, Jun; Hurley, Paul K.; Contreras-Guerrero, Rocio; Droopad, Ravi

    2014-10-20

    In this work, the impact of ammonium sulfide ((NH{sub 4}){sub 2}S) surface treatment on the electrical passivation of the Al{sub 2}O{sub 3}/p-GaSb interface is studied for varying sulfide concentrations. Prior to atomic layer deposition of Al{sub 2}O{sub 3}, GaSb surfaces were treated in 1%, 5%, 10%, and 22% (NH{sub 4}){sub 2}S solutions for 10 min at 295 K. The smallest stretch-out and flatband voltage shifts coupled with the largest capacitance swing, as indicated by capacitance-voltage (CV) measurements, were obtained for the 1% treatment. The resulting interface defect trap density (D{sub it}) distribution showed a minimum value of 4 × 10{sup 12 }cm{sup −2}eV{sup −1} at E{sub v} + 0.27 eV. Transmission electron microscopy and atomic force microscopy examination revealed the formation of interfacial layers and increased roughness at the Al{sub 2}O{sub 3}/p-GaSb interface of samples treated with 10% and 22% (NH{sub 4}){sub 2}S. In combination, these effects degrade the interface quality as reflected in the CV characteristics.

  12. Effects of Si/Al Ratio on Cu/SSZ-13 NH3-SCR Catalysts: Implications for the active Cu species and the Roles of Brønsted Acidity

    SciTech Connect (OSTI)

    Gao, Feng; Washton, Nancy M.; Wang, Yilin; Kollar, Marton; Szanyi, Janos; Peden, Charles HF

    2015-09-03

    Cu/SSZ-13 catalysts with three Si/Al ratios of 6, 12 and 35 were synthesized with Cu incorporation via solution ion exchange. The implications of varying Si/Al ratios on the nature of the multiple Cu species that can be present in the SSZ-13 zeolite are a major focus of this work, as highlighted by the results of a variety of catalyst characterization and reaction kinetics measurements. Specifically, catalysts were characterized with surface area/pore volume measurements, temperature programmed reduction by H2 (H2-TPR), NH3 temperature programmed desorption (NH3-TPD), and DRIFTS and solid-state nuclear magnetic resonance (NMR) spectroscopies. Catalytic properties were examined using NO oxidation, ammonia oxidation, and standard ammonia selective catalytic reduction (NH3-SCR) reactions on selected catalysts under differential conditions. Besides indicating possible variably active multiple Cu species for these reactions, the measurements are also used to untangle some of the complexities caused by the interplay between redox of Cu ion centers and Brønsted acidity. All three reactions appear to follow a redox reaction mechanism, yet the roles of Brønsted acidity are quite different. For NO oxidation, increasing Si/Al ratio lowers Cu redox barriers, thus enhancing reaction rates. Brønsted acidity appears to play essentially no role for this reaction. For standard NH3-SCR, residual Brønsted acidity plays a significant beneficial role at both low- and high-temperature regimes. For NH3 oxidation, no clear trend is observed suggesting both Cu ion center redox and Brønsted acidity play important and perhaps competing roles. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office for the support of this work. The research described in this paper was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE’s Office of

  13. REVISED MD-110 REFERENCE GUIDE SEPTERMBER 2015

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

    ... CHAPTER 9: APPEALS TO THE COMMISSION * Provides that EEOC's Office of Federal Operations ... 6). * Includes that the complainant, agent, grievant, or individual class member must ...

  14. WE-G-BRE-07: Proton Therapy Enhanced by Tumor-Targeting Gold Nanoparticles: A Pilot in Vivo Experiment at The Proton Therapy Center at MD Anderson Cancer Center

    SciTech Connect (OSTI)

    Wolfe, T; Grant, J; Wolfe, A; Gillin, M; Krishnan, S

    2014-06-15

    Purpose: Assess tumor-growth delay and survival in a mouse model of prostate cancer treated with tumor-targeting gold nanoparticles (AuNPs) and proton therapy. Methods: We first examined the accumulation of targeting nanoparticles within prostate tumors by imaging AuNPs with ultrasound-guided photoacoustics at 24h after the intravenous administration of goserelin-conjugated AuNPs (gAuNP) in three mice. Nanoparticles were also imaged at the cellular level with TEM in PC3 cells incubated with gAuNP for 24h. Pegylated AuNPs (pAuNP) were also imaged in vivo and in vitro for comparison. PC3 cells were then implanted subcutaneously in nude mice; 51mice with 810mm tumors were included. AuNPs were injected intravenously at 0.2%w/w final gold concentration 24h before irradiation. A special jig was designed to facilitate tumor irradiation perpendicular to the proton beam. Proton energy was set to 180MeV, the radiation field was 1818cm{sup 2}, and 9cm or 13.5cm thick solid-water compensators were used to position the tumors at either the beam entrance (BE) or the SOBP. Physical doses of 5Gy were delivered to all tumors on a patient beam line at MD Anderson's Proton Therapy Center. Results: The photoacoustic experiment reveled that our nanoparticles leak from the tumor-feeding vasculature and accumulate within the tumor volume over time. Additionally, TEM images showed gAuNP are internalized in cancer cells, accumulating within the cytoplasm, whereas pAuNP are not. Tumor-growth was delayed by 11 or 32days in mice receiving gAuNP irradiated at the BE or the SOBP, relative to proton radiation alone. Survival curves (ongoing experiment) reveal that gAuNPs improved survival by 36% or 74% for tumors irradiated at the BE or SOBP. Conclusion: These important, albeit preliminary, in vivo findings reveal nanoparticles to be potent sensitizers to proton therapy. Further, conjugation of AuNPs to tumor-specific antigens that promote enhanced cellular internalization improved both tumor

  15. Morphology control of open-framework zinc phosphate Zn{sub 4}(H{sub 3}O)(NH{sub 4}){sub 3}(PO{sub 4}){sub 4} via microwave-assisted technique

    SciTech Connect (OSTI)

    Ding, Ling; Song, Yu; Yang, Wei; Xue, Run-Miao; Zhai, Shang-Ru; An, Qing-Da

    2013-08-15

    Open-framework zinc phosphates were synthesized by microwave-assisted technique, and it was shown that the morphology of as-prepared materials could be easily tailored by changing synthesis temperature, reaction time and pH value. During the synthesis, when the reaction temperature increases from 130 C to 220 C, the products transformed from hexagonal prisms to polyhedron along with the disappearance of the hexagonal prisms vertical plane. Simultaneously, both the reaction time and pH value could promote the nucleation and growth of crystal particles. More interestingly, the target products with different morphologies could be obtained by varying the usage of NaOH or NH{sub 3}H{sub 2}O at 130 C during the microwave synthesis process. - Graphical abstract: Zinc phosphates with variable morphologies can be obtained by simply tuning the microwave-heating temperatures. Display Omitted - Highlights: Synthesis of open-framework Zn{sub 4} (H{sub 3}O) (NH{sub 4}){sub 3}(PO{sub 4}){sub 4} compounds employing microwave technique. Dependence of morphology on the reaction conditions. Morphology transformation from hexagonal prisms to polyhedron was observed.

  16. Microsoft Word - Sandia-VT M-1 Summary Report_FINAL.docx

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

    ... and Analysis * March 29. Solar Energy and Our Electricity ... Vermont Collaboration: a case study of private-public ... Charles Hanley * Future of PV: Charles Hanley * Smart Grid ...

  17. Highgate Springs, VT Natural Gas Pipeline Imports From Canada (Dollars per

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

    Thousand Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's 2.92 2.66 2.43 2.91 2000's 4.28 5.69 4.33 5.80 6.39 8.25 8.25 8.51 9.74 6.34 2010's 6.54 5.81 4.90 5.33 6.59 5.20

  18. Highgate Springs, VT Natural Gas Pipeline Imports From Canada (Dollars per

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

    Thousand Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2011 6.00 6.03 6.27 5.14 5.60 6.28 6.24 6.04 5.64 5.01 6.05 5.70 2012 5.31 5.23 4.94 3.46 3.52 4.57 4.60 4.93 4.52 4.36 5.59 5.40 2013 5.05 5.21 5.29 6.00 6.19 6.29 6.35 5.67 5.20 4.84 4.91 5.03 2014 5.46 6.89 8.25 6.37 7.19 7.24 7.73 7.21 6.92 6.22 5.85 5.59 2015 5.11 5.10 5.06 5.29 7.70 6.90 6.52 7.08 6.89 4.37 3.55 4.19 2016 4.14 4.29 3.42 3.02 2.87 3.66

  19. Microsoft Word - Allco Comments and Motion to Intervene VT Green Line 7_18_16

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

    UNITED STATES OF AMERICA DEPARTMENT OF ENERGY OFFICE OF ELECTRICITY DELIVERY AND RELIABILITY APPLICATION FOR A PRESIDENTIAL PERMIT FOR THE NEW ENGLAND CLEAN POWER LINK PROJECT ) ) ) ) Docket No. PP-400 To: Office of Electricity Delivery and Energy Reliability (OE-20) U.S. Department of Energy 1000 Independence Ave. SW Washington, DC 20585 Attention of Brian Mills, Senior Planning Advisor COMMENTS AND MOTION TO INTERVENE OUT OF TIME OF ALLCO RENEWABLE ENERGY LIMITED Pursuant to Rules 212 and 214

  20. Price of Highgate Springs, VT Natural Gas LNG Imports (Dollars per Thousand

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

    Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 2010's -- 9.45 8.70

  1. Price of Highgate Springs, VT Natural Gas LNG Imports (Dollars per Thousand

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

    Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2013 13.30 2014 9.55 9.26 2015 9.51 9.50 8.95 9.03 8.43 8.42 8.52 8.45 8.11 8.01 2016 8.08 8.65 8.89 7.63 7.70 7.82

  2. Price of Highgate Springs, VT Natural Gas LNG Imports from Canada (Dollars

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

    per Thousand Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 2010's 12.72 9.45 8.70

  3. Price of Highgate Springs, VT Natural Gas LNG Imports from Canada (Dollars

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

    per Thousand Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2013 13.37 13.54 10.52 13.63 13.30 2014 9.55 9.26 2015 9.51 9.50 8.95 9.03 8.43 8.42 8.52 8.45 8.11 8.01 2016 8.08 8.65 8.89 7.63 7.70 7.82

  4. Hydrogen storage in a combined M.sub.xAlH.sub.6/M'.sub.y(NH.sub.2).sub.z system and methods of making and using the same

    DOE Patents [OSTI]

    Lu, Jun; Fang, Zhigang Zak; Sohn, Hong Yong

    2012-04-03

    As a promising clean fuel for vehicles, hydrogen can be used for propulsion, either directly or in fuel cells. Hydrogen storage compositions having high storage capacity, good dehydrogenation kinetics, and hydrogen release and uptake reactions which are reversible are disclosed and described. Generally a hydrogen storage composition of a metal aluminum hexahydride and a metal amide can be used. A combined system (Li.sub.3AIH.sub.6/3LiNH.sub.2) with a very high inherent hydrogen capacity (7.3 wt %) can be carried out at moderate temperatures, and with approximately 95% of that inherent hydrogen storage capacity (7.0%) is reversible over repeated cycling of release and uptake.

  5. High external quantum efficiency and fill-factor InGaN/GaN heterojunction solar cells grown by NH3-based molecular beam epitaxy

    SciTech Connect (OSTI)

    Lang, J. R.; Neufeld, C. J.; Hurni, C. A.; Cruz, S. C.; Matioli, E.; Mishra, U. K.; Speck, J. S.

    2011-04-01

    High external quantum efficiency (EQE) p-i-n heterojunction solar cellsgrown by NH3 -based molecular beam epitaxy are presented. EQE values including optical losses are greater than 50% with fill-factors over 72% when illuminated with a 1 sun AM0 spectrum. Optical absorptionmeasurements in conjunction with EQE measurements indicate an internal quantum efficiency greater than 90% for the InGaN absorbing layer. By adjusting the thickness of the top p-type GaN window contact layer, it is shown that the short-wavelength (<365 nm) quantum efficiency is limited by the minority carrier diffusion length in highly Mg-doped p-GaN.

  6. Origin and elimination of photocurrent hysteresis by fullerene passivation in CH3NH3PbI3 planar heterojunction solar cells

    SciTech Connect (OSTI)

    Shao, Yuchuan; Xiao, Zhengguo; Bi, Cheng; Yuan, Yongbo; Huang, Jinsong

    2014-12-15

    The large photocurrent hysteresis observed in many organometal trihalide perovskite solar cells has become a major hindrance impairing the ultimate performance and stability of these devices, while its origin was unknown. Here we demonstrate the trap states on the surface and grain boundaries of the perovskite materials to be the origin of photocurrent hysteresis and that the fullerene layers deposited on perovskites can effectively passivate these charge trap states and eliminate the notorious photocurrent hysteresis. Fullerenes deposited on the top of the perovskites reduce the trap density by two orders of magnitude and double the power conversion efficiency of CH3NH3PbI3 solar cells. As a result, the elucidation of the origin of photocurrent hysteresis and its elimination by trap passivation in perovskite solar cells provides important directions for future enhancements to device efficiency.

  7. SiO{sub 2} nanospheres with tailorable interiors by directly controlling Zn{sup 2+} and NH{sub 3}.H{sub 2}O species in an emulsion process

    SciTech Connect (OSTI)

    Liao Yuchao; Wu Xiaofeng; Wang Zhen; Chen Yunfa

    2011-07-15

    SiO{sub 2} nanospheres with tailorable interiors were synthesized by a facile one-spot microemulsion process using TEOS as silica source, wherein cyclohexane including triton X-100 and n-octanol as oil phase and Zn{sup 2+} or NH{sub 3}.H{sub 2}O aqueous solution as dispersive phase, respectively. The products were characterized by Scanning Electron Microscopy, Transmission Electron Microscopy and X-ray Powder Diffraction. It was suggested that the as-synthesized silica nanospheres possessed grape-stone-like porous or single hollow interior, and also found that the ammonia dosage and aging time played key roles in controlling the size and structure of silica nanospheres. Furthermore, the comparative results confirmed that in-situ zinc species [ZnO/Zn(OH){sub 2}] acted as the temporary templates to construct grape-stone-like interior, and a simultaneously competing etching process occurred owing to the soluble Zn(NH{sub 3}){sub 4}{sup 2+} complex formation while the additional excessive ammonia was introduced. With the aging time being extended, the in-situ nanocrystals tended to grow into bigger ones by Ostwald Ripening, producing single hollow interior. - Graphical Abstract: Formation process of SiO{sub 2} nanospheres with porous and single hollow interior. Highlights: > ZnO/Zn(OH){sub 2} nanocrystals as the temporary templates shape the interior structures of SiO{sub 2} nanospheres. > Fabrication of porous and single hollow interiors needs no additional processes such as roasting or dissolving. > Tailorable interiors can be easily obtained through adjusting the aging time of temporary templates.

  8. Simple and low-temperature preparation of Co{sub 3}O{sub 4} sphere-like nanoparticles via solid-state thermolysis of the [Co(NH{sub 3}){sub 6}](NO{sub 3}){sub 3} complex

    SciTech Connect (OSTI)

    Farhadi, Saeid; Pourzare, Kolsoum

    2012-06-15

    Highlights: ? [Co(NH{sub 3}){sub 6}](NO{sub 3}){sub 3} precursor was used for synthesizing pure Co{sub 3}O{sub 4} nanocrystals. ? Co{sub 3}O{sub 4} nanocrystals were synthesized at low temperature of 200 C. ? Co{sub 3}O{sub 4} nanocrystals show a weak ferromagnetic behavior at room temperature. ? This simple method is low-cost and suitable for high-scale production of Co{sub 3}O{sub 4}. -- Abstract: In this work, spinel-type Co{sub 3}O{sub 4} spherical nanoparticles were easily prepared via decomposition of the hexamminecobalt(III) nitrate complex, [Co(NH{sub 3}){sub 6}](NO{sub 3}){sub 3}, at low temperature (200 C). The product was characterized by thermal analysis (TGA/DTA), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy, UVvis spectroscopy, transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDX), BrunauerEmmettTeller (BET) specific surface area measurement and magnetic measurements. The results confirmed that pure single-phase Co{sub 3}O{sub 4} nanoparticles with weak ferromagnetic behavior were obtained by this method. TEM images showed that the Co{sub 3}O{sub 4} nanoparticles are sphere-like with an average diameter size of around 15 nm. The optical spectrum indicated two direct band gaps at 2.15 and 3.56 eV which are blue-shifted relative to reported values for the bulk sample. Using this fast and simple method, Co{sub 3}O{sub 4} nanoparticles can be produced without expensive and toxic solvents or complicated equipment.

  9. Designed synthesis of multifunctional Fe{sub 3}O{sub 4}@SiO{sub 2}–NH{sub 2}@CS–Co(II) towards efficient oxidation of ethylbenzene

    SciTech Connect (OSTI)

    Li, Shi; Zhai, Shang-Ru; An, Qing-Da; Li, Ming-Hui; Song, Yu; Song, Xiao-Wei

    2014-12-15

    Highlights: • Cooperative integration of magnetic cores and chitosan layers. • Efficient and durable catalyst for the oxidation of ethylbenzene to acetophenone. • Exceptional results of 82.5% EB conversion and 80.4% AP selectivity. • Magnetic recoverable catalyst with excellent reusability even after 10 times run. - Abstract: The preparation of Co(II) supported magnetic heterogeneous catalyst, i.e. Fe{sub 3}O{sub 4}@SiO{sub 2}–NH{sub 2}@CS–Co, and its efficient and selective catalytic properties toward the oxidation of ethylbenzene to acetophenone are presented. The materials were characterized by various physicochemical techniques such as scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, vibrating sample magnetometer, elemental analysis, inductively coupled plasma-atomic emission spectrometer and X-ray photoelectron spectroscopy, etc. The reaction conditions were thoroughly investigated and highly improved catalytic performance (82.5% conversion of ethylbenzene and 80.1% selectivity to acetophenone) was gained under more mild reaction conditions of lower temperature (70 °C), shorter reaction period (60 min) and cheaper and greener oxygen source (H{sub 2}O{sub 2}). More importantly, it could be reused successively at least 10 times when more than 80% of its catalytic activity maintained.

  10. Accurate ab initio-based adiabatic global potential energy surface for the 2{sup 2}A″ state of NH{sub 2} by extrapolation to the complete basis set limit

    SciTech Connect (OSTI)

    Li, Y. Q.; Ma, F. C.; Sun, M. T.

    2013-10-21

    A full three-dimensional global potential energy surface is reported first time for the title system, which is important for the photodissociation processes. It is obtained using double many-body expansion theory and an extensive set of accurate ab initio energies extrapolated to the complete basis set limit. Such a work can be recommended for dynamics studies of the N({sup 2}D) + H{sub 2} reaction, a reliable theoretical treatment of the photodissociation dynamics and as building blocks for constructing the double many-body expansion potential energy surface of larger nitrogen/hydrogen containing systems. In turn, a preliminary theoretical study of the reaction N({sup 2}D)+H{sub 2}(X{sup 1}Σ{sub g}{sup +})(ν=0,j=0)→NH(a{sup 1}Δ)+H({sup 2}S) has been carried out with the method of quasi-classical trajectory on the new potential energy surface. Integral cross sections and thermal rate constants have been calculated, providing perhaps the most reliable estimate of the integral cross sections and the rate constants known thus far for such a reaction.

  11. Effective hole extraction using MoO{sub x}-Al contact in perovskite CH{sub 3}NH{sub 3}PbI{sub 3} solar cells

    SciTech Connect (OSTI)

    Zhao, Yixin; Nardes, Alexandre M.; Zhu, Kai

    2014-05-26

    We report an 11.4%-efficient perovskite CH{sub 3}NH{sub 3}PbI{sub 3} solar cell using low-cost molybdenum oxide/aluminum (i.e., MoO{sub x}/Al) as an alternative top contact to replace noble/precious metals (e.g., Au or Ag) for extracting photogenerated holes. The device performance of perovskite solar cells using a MoO{sub x}/Al top contact is comparable to that of cells using the standard Ag top contact. Analysis of impedance spectroscopy measurements suggests that using 10-nm-thick MoO{sub x} and Al does not affect charge-recombination properties of perovskite solar cells. Using a thicker (20-nm) MoO{sub x} layer leads to a lower cell performance caused mainly by a reduced fill factor. Our results suggest that MoO{sub x}/Al is promising as a low-cost and effective hole-extraction contact for perovskite solar cells.

  12. Hydrogen Storage Properties of New Hydrogen-Rich BH3NH3-Metal Hydride (TiH2, ZrH2, MgH2, and/or CaH2) Composite Systems

    SciTech Connect (OSTI)

    Choi, Young Joon; Xu, Yimin; Shaw, Wendy J.; Ronnebro, Ewa

    2012-04-19

    Ammonia borane (AB = NH3BH3) is one of the most attractive materials for chemical hydrogen storage due to its high hydrogen contents of 19.6 wt.%, however, impurity levels of borazine, ammonia and diborane in conjunction with foaming and exothermic hydrogen release calls for finding ways to mitigate the decomposition reactions. In this paper we present a solution by mixing AB with metal hydrides (TiH2, ZrH2, MgH2 and CaH2) which have endothermic hydrogen release in order to control the heat release and impurity levels from AB upon decomposition. The composite materials were prepared by mechanical ball milling, and their H2 release properties were characterized by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The formation of volatile products from decomposition side reactions, such as borazine (N3B3H6) was determined by mass spectrometry (MS). Sieverts type pressure-composition-temperature (PCT) gas-solid reaction instrument was adopted to observe the kinetics of the H2 release reactions of the combined systems and neat AB. In situ 11B MAS-NMR revealed a destabilized decomposition pathway. We found that by adding specific metal hydrides to AB we can eliminate the impurities and mitigate the heat release.

  13. Pittsburg, NH Natural Gas Exports to Canada

    Gasoline and Diesel Fuel Update (EIA)

    Price (Percent) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's 79.6 82.7 80.7 80.8 80.3 80.1 81.1 64.7 80.5 70.5 2000's 81.4 82.5 80.5 81.8 82.1 80.5 80.2 79.8 80.2 78.8 2010's 79.3 78.9 76.2 76.6 78.4 77.6 Price (Percent)

    Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's 100.0 100.0 100.0 100.0 100.0 79.9 63.4 54.5 49.6 55.4 2000's 59.3 60.5 60.0 59.1 55.5 51.2 56.3 76.0 74.9 85.3 2010's 87.7 88.6 94.9 94.5 94.5

  14. Pittsburg, NH Natural Gas Exports to Canada

    Gasoline and Diesel Fuel Update (EIA)

    26,767 18,297 19,826 47,451 63,446 52,160 1998-2014 Pipeline Prices 5.04 5.48 5.45 4.08 6.63 10.55 1998...

  15. New operation strategy for driving the selectivity of NOx reduction to N2, NH3 or N2O during lean/rich cycling of a lean NOx trap catalyst

    SciTech Connect (OSTI)

    Mráček, David; Koci, Petr; Choi, Jae -Soon; Partridge, Jr., William P.

    2015-09-08

    Periodical regeneration of NOx storage catalyst (also known as lean NOx trap) by short rich pulses of CO, H2 and hydrocarbons is necessary for the reduction of nitrogen oxides adsorbed on the catalyst surface. Ideally, the stored NOx is converted into N2, but N2O and NH3 by-products can be formed as well, particularly at low-intermediate temperatures. The N2 and N2O products are formed concurrently in two peaks. The primary peaks appear immediately after the rich-phase inception, and tail off with the breakthrough of the reductant front accompanied by NH3 product. In addition, the secondary N2 and N2O peaks then appear at the rich-to-lean transition as a result of reactions between surface-deposited reductants/intermediates (CO, HC, NH3, — NCO) and residual stored NOx under increasingly lean conditions.

  16. Microsoft Word - FY 2010 MD-715 Report.docx

    National Nuclear Security Administration (NNSA)

    ... the safe and secure transportation of nuclear materials, and collaborates with other ... of Energy's seven (7) overarching management principles: Our mission is vital ...

  17. Reactive MD Simulation of Shock-Induced Cavitation Damage | Argonne

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

    Leadership Computing Facility Billion atom reactive molecular dynamics simulation of nanobubble collapse in wa Billion atom reactive molecular dynamics simulation of nanobubble collapse in water near a ceramic surface under shock compression. A 2km/sec shock wave compresses the nanobubble and creates high compressive stress and novel chemical reactions (production of hydronium ions) not found under normal conditions. The simulations reveal that high pressure in the shock wave deforms the

  18. Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale |

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

    Argonne Leadership Computing Facility molecular dynamics demonstrating the sintering mechanism under the influence of e-field Large-scale reactive molecular dynamics demonstrating the sintering mechanism under the influence of e-field. Tailoring the properties of nanoscale oxide-based technologies such as chemical activity, efficiency, durability, and reliability requires a better understanding of the nanoscale oxide growth kinetics under various oxidation conditions, the resulting film

  19. Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale |

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

    Argonne Leadership Computing Facility Large-scale reactive molecular dynamics demonstrating the sintering mechanism under the influence of e-field. Tailoring the properties of nanoscale oxide-based technologies such as chemical activity, efficiency, durability, and reliability requires a better understanding of the nanoscale oxide growth kinetics under various oxidation conditions, the resulting film morphology, as well as their functional properties. Subramanian Sankaranarayanan, Argonne

  20. TO J. A. QuigUy, M.D. NATIONALLPADCW~

    Office of Legacy Management (LM)

    ... sonic energy. An exptrinzental copper steel tank I.2 feet loug, 4 feet deep, amd 4 feet wide, coxpartmeuted into three sections 4 feet x 4 feet x 4 feet, waa used for the teat. ...

  1. ERSUG Meeting: June 25-26, 1996 (Germantown, MD)

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

    SAC Responsibility: All of ERSUG Comments to Rick Kendall by July 17th email: rakendall@pnl.gov Fax : (509) 375-6631 Review and comment on Requirements Document "Greenbook"...

  2. Reactive MD Simulations of Electrochemical Oxide Interfaces at...

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

    force field-will demonstrate the potential of electrical field application for ceramics processing. This integrated simulation-experimental protocol will determine the way...

  3. Structure of overheated metal clusters: MD simulation study

    SciTech Connect (OSTI)

    Vorontsov, Alexander

    2015-08-17

    The structure of overheated metal clusters appeared in condensation process was studied by computer simulation techniques. It was found that clusters with size larger than several tens of atoms have three layers: core part, intermediate dense packing layer and a gas- like shell with low density. The change of the size and structure of these layers with the variation of internal energy and the size of cluster is discussed.

  4. Materials Degradation and Detection (MD2): Deep Dive Final Report

    SciTech Connect (OSTI)

    McCloy, John S.; Montgomery, Robert O.; Ramuhalli, Pradeep; Meyer, Ryan M.; Hu, Shenyang Y.; Li, Yulan; Henager, Charles H.; Johnson, Bradley R.

    2013-02-01

    An effort is underway at Pacific Northwest National Laboratory (PNNL) to develop a fundamental and general framework to foster the science and technology needed to support real-time monitoring of early degradation in materials used in the production of nuclear power. The development of such a capability would represent a timely solution to the mounting issues operators face with materials degradation in nuclear power plants. The envisioned framework consists of three primary and interconnected “thrust” areas including 1) microstructural science, 2) behavior assessment, and 3) monitoring and predictive capabilities. A brief state-of-the-art assessment for each of these core technology areas is discussed in the paper.

  5. Evaluation of Powertrain Options and Component Sizing for MD...

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

    Drive Cycles 2011 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies ... Activities and Heavy Vehicle Systems Optimization Program Annual Progress Report

  6. Microsoft Word - FY 2011 MD-715 Report.docx

    National Nuclear Security Administration (NNSA)

    ... 0 0 0 0 Total % 100 93.94 2.00 4.06 0.21 0.00 0.00 0.00 0.05 0.10 0.00 0.00 0.05 0.00 1947 1829 39 79 4 0 0 0 1 2 0 0 1 0 Participation Rates for Major Occupations - Distribution ...

  7. Reactive MD Simulations of Electrochemical Oxide Interfaces at...

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

    urgently needed for the design and development of novel ... iron nanoparticles, which are promising lithium-ion battery anodes. ... atomistic simulation models on the ...

  8. 2012 SINGLE MOLECULE APPROACHES TO BIOLOGY GORDON RESEARCH CONFERENCE (JULY 15-20, 2012 - MOUNT SNOW RESORT, WEST DOVER VT)

    SciTech Connect (OSTI)

    Fernandez, Julio

    2012-04-20

    Single molecule techniques are rapidly occupying a central role in biological research at all levels. This transition was made possible by the availability and dissemination of robust techniques that use fluorescence and force probes to track the conformation of molecules one at a time, in vitro as well as in live cells. Single-molecule approaches have changed the way many biological problems are studied. These novel techniques provide previously unobtainable data on fundamental biochemical processes that are essential for all forms of life. The ability of single-molecule approaches to avoid ensemble averaging and to capture transient intermediates and heterogeneous behavior renders them particularly powerful in elucidating mechanisms of the molecular systems that underpin the functioning of living cells. Hence, our conference seeks to disseminate the implementation and use of single molecule techniques in the pursuit of new biological knowledge. Topics covered include: Molecular Motors on the Move; Origin And Fate Of Proteins; Physical Principles Of Life; Molecules and Super-resolution Microscopy; Nanoswitches In Action; Active Motion Or Random Diffusion?; Building Blocks Of Living Cells; From Molecular Mechanics To Physiology; Tug-of-war: Force Spectroscopy Of Single Proteins.

  9. Bulk gold catalyzed oxidation reactions of amines and isocyanides and iron porphyrin catalyzed N-H and O-H bond insertion/cyclization reactions of diamines and aminoalcohols

    SciTech Connect (OSTI)

    Klobukowski, Erik

    2011-12-29

    conditions, it was found that the oxidative dehydrogenation of dibenzylamine to Nbenzylidenebenzylamine, with N-methylmorpholine N-oxide (NMMO), was nearly quantitative (96%) within 24 h. However, the reaction with oxygen was much slower, with only a 52% yield of imine product over the same time period. Moreover, the rate of reaction was found to be influenced by the nature of the amine N-oxide. For example, the use of the weakly basic pyridine N-oxide (PyNO) led to an imine yield of only 6% after 24 h. A comparison of amine N-oxide and O2 was also examined in the oxidation of PhCH{sub 2}OH to PhCHO catalyzed by bulk gold. In this reaction, a 52% yield of the aldehyde was achieved when NMMO was used, while only a 7% product yield was afforded when O{sub 2} was the oxidant after 48 h. The bulk gold-catalyzed oxidative dehydrogenation of cyclic amines generates amidines, which upon treatment with Aerosil and water were found to undergo hydrolysis to produce lactams. Moreover, 5-, 6-, and 7-membered lactams could be prepared through a one-pot reaction of cyclic amines by treatment with oxygen, water, bulk gold, and Aerosil. This method is much more atom economical than industrial processes, does not require corrosive acids, and does not generate undesired byproducts. Additionally, the gold and Aerosil catalysts can be readily separated from the reaction mixture. The second project involved studying iron(III) tetraphenylporphyrin chloride, Fe(TPP)Cl, as a homogeneous catalyst for the generation of carbenes from diazo reagents and their reaction with heteroatom compounds. Fe(TPP)Cl, efficiently catalyzed the insertion of carbenes derived from methyl 2-phenyldiazoacetates into O-H bonds of aliphatic and aromatic alcohols. Fe(TPP)Cl was also found to be an effective catalyst for tandem N-H and O-H insertion/cyclization reactions when 1,2-diamines and 1,2-alcoholamines were treated with diazo reagents. This approach provides a one-pot process for synthesizing piperazinones and

  10. Six novel transition-metal phosphite compounds, with structure related to yavapaiite: Crystal structures and magnetic and thermal properties of A{sup I}[M{sup III}(HPO{sub 3}){sub 2}] (A=K, NH{sub 4}, Rb and M=V, Fe)

    SciTech Connect (OSTI)

    Hamchaoui, Farida; Alonzo, Veronique; Universite Europeenne de Bretagne ; Venegas-Yazigi, Diego; Rebbah, Houria; Le Fur, Eric

    2013-02-15

    Six new transition metal(III) phosphites A{sup I}[V{sup III}(HPO{sub 3}){sub 2}], where A=K (1), NH{sub 4} (2) and Rb (3) and A{sup I}[Fe{sup III}(HPO{sub 3}){sub 2}] where A=K (4), NH{sub 4} (5) and Rb (6) have been synthesized under hydrothermal conditions and the solid-state structures were solved from single-crystal X-ray diffraction data. These compounds crystallize in the hexagonal system, space group P6{sub 3}mc (no. 186), with a=5.3294(2) A and c=12.3130(5) A for 1, a=5.3330(2) A and c=12.8760(4) A for 2, a=5.3459(2) A and c=12.6850(8) A for 3, a=5.3256(1) A and c=12.2362(3) A for 4, a=5.3229(2) A and c=12.8562(4) A for 5, a=5.3393(2) A and c=12.6913(5) A for 6, with Z=2 in the six phases. The crystal structures of these compounds are isotypic and exhibit a layered structure stacked along the c-axis with the A{sup +} cations located in the interlayer space. The [M{sup III}(HPO{sub 3}){sub 2}]{sup -} sheets are formed by MO{sub 6} octahedra interconnected by HPO{sub 3} tetrahedral phosphite oxoanions through sharing vertices. Thermal analysis shows a large range of stability for compounds containing potassium and rubidium cations with decomposition starting around 550 K for stable compounds and above 840 K for the most stable compounds leading in general to pyrophosphate compounds. Triangular nets of metallic centers are observed within the layers in which antiferromagnetic interactions are evidenced by magnetic susceptibility measurements suggesting magnetic frustration. - Graphical abstract: Six new transition metal(III) phosphites A{sup I}[M{sup III}(HPO{sub 3}){sub 2}], where A=K, NH{sub 4}, Rb and M=V, Fe, have been synthesized. The crystal structures of these compounds are isotypic and exhibit a lamellar structure related to Yavapaiite. The M(HPO{sub 3}){sub 2} layers separated by cationic species present the metallic centers in a triangular arrangement. Bulk antiferromagnetic behavior is observed for all the studied compounds. Highlights: Black