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Sample records for nr nr nr

  1. nr | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    nr On Womens Equality Day, we celebrate NNSA's talented Women in STEM About Naval Reactors What Is the Naval Nuclear Propulsion Program? The Naval Nuclear Propulsion Program comprises the military and civilian personnel who design, build, operate, maintain, and manage the nuclear-powered ships and the many facilities that support the U.S. nuclear-powered naval fleet. The Program... Powering the Nuclear Navy Concern for the Environment Protection of People Naval Nuclear Propulsion Plants Annual

  2. nr

    National Nuclear Security Administration (NNSA)

    4%2A en Powering the Nuclear Navy http:www.nnsa.energy.govourmissionpoweringnavy

    Page...

  3. nr

    National Nuclear Security Administration (NNSA)

    %2A en Powering the Nuclear Navy http:nnsa.energy.govourmissionpoweringnavy

    Page...

  4. Hanford Site - 100-NR-2 | Department of Energy

    Office of Environmental Management (EM)

    NR-2 Hanford Site - 100-NR-2 July 1, 2014 - 12:00pm Addthis US Department of Energy Groundwater Database Groundwater Master Report InstallationName, State: Hanford Site, WA Responsible DOE Office: Office of Environmental Management Plume Name: 100-NR-2 Remediation Contractor: CHPRC PBS Number: 30 Report Last Updated: July 2014 with CY2013 data Contaminants Halogenated VOCs/SVOCs Present?: No Fuel Present? Yes Metals Present? Yes Isotopes Present? Yes Explosives Present? No Other Contaminants? No

  5. Microsoft Word - DE-NR0000031-075.doc

    National Nuclear Security Administration (NNSA)

    ITEM NO. SUPPLIES/SERVICES QUANTITY UNIT UNIT PRICE AMOUNT NAME OF OFFEROR OR CONTRACTOR 2 183 CONTINUATION SHEET REFERENCE NO. OF DOCUMENT BEING CONTINUED PAGE OF BECHTEL MARINE PROPULSION CORPORATION (A) (B) (C) (D) (E) (F) DE-NR0000031/075 a. Clause 4., Changes, is amended by removing the name G. W. Twardowski. Therefore, page 2 of Section H is deleted in its entirety and replaced with the new page 2 attached hereto. b. Clause 26., Responsible Corporate Official, is amended by inserting

  6. Summary of TPH Monitoring Conducted at 100-NR-2 during CY 2008 and 2009

    SciTech Connect (OSTI)

    Fritz, Brad G.; Mendoza, Donaldo P.; young, david; Stegen, J. A.; Bunn, Amoret L.

    2009-08-12

    This report covers a variety of environmental monitoring activities that were conducted over an 18 month period to provide characterization of a TPH-diesel contamination plume in the 100-NR-2 OU

  7. The LANL C-NR counting room and fission product yields

    SciTech Connect (OSTI)

    Jackman, Kevin Richard

    2015-09-21

    This PowerPoint presentation focused on the following areas: LANL C-NR counting room; Fission product yields; Los Alamos Neutron wheel experiments; Recent experiments ad NCERC; and Post-detonation nuclear forensics

  8. Activation of nuclear receptor NR5A2 increases Glut4 expression and glucose metabolism in muscle cells

    SciTech Connect (OSTI)

    Bolado-Carrancio, A.; Riancho, J.A.; Sainz, J.; Rodrguez-Rey, J.C.

    2014-04-04

    Highlights: NR5A2 expression in C2C12 is associated with myotube differentiation. DLPC induces an increase in GLUT4 levels and glucose uptake in C2C12 myotubes. In high glucose conditions the activation of NR5A2 inhibits fatty acids oxidation. - Abstract: NR5A2 is a nuclear receptor which regulates the expression of genes involved in cholesterol metabolism, pluripotency maintenance and cell differentiation. It has been recently shown that DLPC, a NR5A2 ligand, prevents liver steatosis and improves insulin sensitivity in mouse models of insulin resistance, an effect that has been associated with changes in glucose and fatty acids metabolism in liver. Because skeletal muscle is a major tissue in clearing glucose from blood, we studied the effect of the activation of NR5A2 on muscle metabolism by using cultures of C2C12, a mouse-derived cell line widely used as a model of skeletal muscle. Treatment of C2C12 with DLPC resulted in increased levels of expression of GLUT4 and also of several genes related to glycolysis and glycogen metabolism. These changes were accompanied by an increased glucose uptake. In addition, the activation of NR5A2 produced a reduction in the oxidation of fatty acids, an effect which disappeared in low-glucose conditions. Our results suggest that NR5A2, mostly by enhancing glucose uptake, switches muscle cells into a state of glucose preference. The increased use of glucose by muscle might constitute another mechanism by which NR5A2 improves blood glucose levels and restores insulin sensitivity.

  9. 100-NR-2 Apatite Treatability Test FY09 Status: High Concentration Calcium-Citrate-Phosphate Solution Injection for In Situ Strontium-90 Immobilization

    SciTech Connect (OSTI)

    Vermeul, Vincent R.; Fritz, Brad G.; Fruchter, Jonathan S.; Szecsody, James E.; Williams, Mark D.

    2009-12-16

    100-NR-2 Apatite Treatability Test FY09 Status: High Concentration Calcium-Citrate-Phosphate Solution Injection for In Situ Strontium-90 Immobilization INTERIM LETTER REPORT

  10. Pacific Northwest National Laboratory Apatite Investigation at the 100-NR-2 Quality Assurance Project Plan

    SciTech Connect (OSTI)

    Fix, N. J.

    2008-03-28

    This Quality Assurance Project Plan provides the quality assurance requirements and processes that will be followed by staff working on the 100-NR-2 Apatite Project. The U.S. Department of Energy, Fluor Hanford, Inc., Pacific Northwest National Laboratory, and the Washington Department of Ecology agreed that the long-term strategy for groundwater remediation at 100-N would include apatite sequestration as the primary treatment, followed by a secondary treatment. The scope of this project covers the technical support needed before, during, and after treatment of the targeted subsurface environment using a new high-concentration formulation.

  11. AmeriFlux US-NR1 Niwot Ridge Forest (LTER NWT1)

    SciTech Connect (OSTI)

    Blanken, Peter

    2016-01-01

    This is the AmeriFlux version of the carbon flux data for the site US-NR1 Niwot Ridge Forest (LTER NWT1). Site Description - The Niwot Ridge AmeriFlux site is located in a subalpine forest ecosystem just below the Continental Divide near Nederland, CO. The site is located at 3050 m elevation, within 600m of the NOAA C1 long-term monitoring station, approximately 8 km east of the Continental Divide. The surrounding subalpine forest is ~97 years old and in a state of aggradation, having recovered from early twentieth century logging (Monson, et al. Global Change Biology (2002), 8 459-478).

  12. PNNL Apatite Investigation at 100-NR-2 Quality Assurance Project Plan

    SciTech Connect (OSTI)

    Fix, N. J.

    2009-04-02

    In 2004, the U.S. Department of Energy, Fluor Hanford, Inc., Pacific Northwest National Laboratory (PNNL), and the Washington Department of Ecology agreed that the long-term strategy for groundwater remediation at the 100-N Area would include apatite sequestration as the primary treatment, followed by a secondary treatment if necessary. Since then, the agencies have worked together to agree on which apatite sequestration technology has the greatest chance of reducing strontium-90 flux to the Columbia River. This Quality Assurance Project Plan provides the quality assurance requirements and processes that will be followed by staff working on the PNNL Apatite Investigation at 100-NR-2 Project. The plan is designed to be used exclusively by project staff.

  13. E&nr Ph. S. W.. Wahhgt~n. D.C. 200242174, TIkpbnc (202) 48a60uo

    Office of Legacy Management (LM)

    75' 00.955 L' E&nr Ph. S. W.. Wahhgt~n. D.C. 200242174, TIkpbnc (202) 48a60uo 7117-03.87.cdy.43 23 September 1987 CR CA.d M r. Andrew Wallo, III, NE-23 Division of Facility & Site Decoaunissioning Projects U.S. Department of Energy Germantown, Maryland 20545 Dear M r. Wallo: ELIMINATION RECOMMENDATION -- COLLEGES AND UNIVERSITIES M /4.0-03 kl 77.0% I - The attached elimination reconunendation was prepared in accordance rlL.0~ with your suggestion during our meeting on 22 September. The

  14. Environmental contaminants activate human and polar bear (Ursus maritimus) pregnane X receptors (PXR, NR1I2) differently

    SciTech Connect (OSTI)

    Lille-Langøy, Roger; Goldstone, Jared V.; Rusten, Marte; Milnes, Matthew R.; Male, Rune; Stegeman, John J.; Blumberg, Bruce; Goksøyr, Anders

    2015-04-01

    Background: Many persistent organic pollutants (POPs) accumulate readily in polar bears because of their position as apex predators in Arctic food webs. The pregnane X receptor (PXR, formally NR1I2, here proposed to be named promiscuous xenobiotic receptor) is a xenobiotic sensor that is directly involved in metabolizing pathways of a wide range of environmental contaminants. Objectives: In the present study, we comparably assess the ability of 51 selected pharmaceuticals, pesticides and emerging contaminants to activate PXRs from polar bears and humans using an in vitro luciferase reporter gene assay. Results: We found that polar bear PXR is activated by a wide range of our test compounds (68%) but has a slightly more narrow ligand specificity than human PXR that was activated by 86% of the 51 test compounds. The majority of the agonists identified (70%) produces a stronger induction of the reporter gene via human PXR than via polar bear PXR, however with some notable and environmentally relevant exceptions. Conclusions: Due to the observed differences in activation of polar bear and human PXRs, exposure of each species to environmental agents is likely to induce biotransformation differently in the two species. Bioinformatics analyses and structural modeling studies suggest that amino acids that are not part of the ligand-binding domain and do not interact with the ligand can modulate receptor activation. - Highlights: • Comparative study of ligand activation of human and polar bear PXRs. • Polar bear PXR is a promiscuous ligand-activated nuclear receptor but less so than human PXR. • Environmental contaminants activate human and polar bear PXRs differently. • Expression and ligand promiscuity indicate that PXR is a xenosensor in polar bears.

  15. 100-NR-2 Apatite Treatability Test: High-Concentration Calcium-Citrate-Phosphate Solution Injection for In Situ Strontium-90 Immobilization

    SciTech Connect (OSTI)

    Vermeul, Vincent R.; Fritz, Brad G.; Fruchter, Jonathan S.; Szecsody, James E.; Williams, Mark D.

    2010-09-01

    Following an evaluation of potential strontium-90 (90Sr) treatment technologies and their applicability under 100-NR-2 hydrogeologic conditions, the U.S. Department of Energy (DOE), Fluor Hanford, Inc. (now CH2M Hill Plateau Remediation Company [CHPRC]), Pacific Northwest National Laboratory, and the Washington State Department of Ecology agreed that the long-term strategy for groundwater remediation at the 100-N Area should include apatite as the primary treatment technology. This agreement was based on results from an evaluation of remedial alternatives that identified the apatite permeable reactive barrier (PRB) technology as the approach showing the greatest promise for reducing 90Sr flux to the Columbia River at a reasonable cost. This letter report documents work completed to date on development of a high-concentration amendment formulation and initial field-scale testing of this amendment solution.

  16. EQ3NR, a computer program for geochemical aqueous speciation-solubility calculations: Theoretical manual, user`s guide, and related documentation (Version 7.0); Part 3

    SciTech Connect (OSTI)

    Wolery, T.J.

    1992-09-14

    EQ3NR is an aqueous solution speciation-solubility modeling code. It is part of the EQ3/6 software package for geochemical modeling. It computes the thermodynamic state of an aqueous solution by determining the distribution of chemical species, including simple ions, ion pairs, and complexes, using standard state thermodynamic data and various equations which describe the thermodynamic activity coefficients of these species. The input to the code describes the aqueous solution in terms of analytical data, including total (analytical) concentrations of dissolved components and such other parameters as the pH, pHCl, Eh, pe, and oxygen fugacity. The input may also include a desired electrical balancing adjustment and various constraints which impose equilibrium with special pure minerals, solid solution end-member components (of specified mole fractions), and gases (of specified fugacities). The code evaluates the degree of disequilibrium in terms of the saturation index (SI = 1og Q/K) and the thermodynamic affinity (A = {minus}2.303 RT log Q/K) for various reactions, such as mineral dissolution or oxidation-reduction in the aqueous solution itself. Individual values of Eh, pe, oxygen fugacity, and Ah (redox affinity) are computed for aqueous redox couples. Equilibrium fugacities are computed for gas species. The code is highly flexible in dealing with various parameters as either model inputs or outputs. The user can specify modification or substitution of equilibrium constants at run time by using options on the input file.

  17. Interim Report: 100-NR-2 Apatite Treatability Test: Low Concentration Calcium Citrate-Phosphate Solution Injection for In Situ Strontium-90 Immobilization

    SciTech Connect (OSTI)

    Williams, Mark D.; Fritz, Brad G.; Mendoza, Donaldo P.; Rockhold, Mark L.; Thorne, Paul D.; Xie, YuLong; Bjornstad, Bruce N.; Mackley, Rob D.; Newcomer, Darrell R.; Szecsody, James E.; Vermeul, Vincent R.

    2008-07-11

    Following an evaluation of potential Sr-90 treatment technologies and their applicability under 100-NR-2 hydrogeologic conditions, U.S. Department of Energy, Fluor Hanford, Inc., Pacific Northwest National Laboratory, and the Washington Department of Ecology agreed that the long-term strategy for groundwater remediation at 100-N Area will include apatite sequestration as the primary treatment, followed by a secondary treatment if necessary (most likely phytoremediation). Since then, the agencies have worked together to agree on which apatite sequestration technology has the greatest chance of reducing Sr-90 flux to the river at a reasonable cost. In July 2005, aqueous injection, (i.e., the introduction of apatite-forming chemicals into the subsurface) was endorsed as the interim remedy and selected for field testing. Studies are in progress to assess the efficacy of in situ apatite formation by aqueous solution injection to address both the vadose zone and the shallow aquifer along the 300 ft of shoreline where Sr-90 concentrations are highest. This report describes the field testing of the shallow aquifer treatment.

  18. NR Pu SEIS Advisory 07272012_Clean

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

    NPT Enters Into Force New York, United States The Treaty on the Non-Proliferation of Nuclear Weapons (NPT) goes into effect

    NPT NNSA Labs host U.S. and Nuclear Non-Proliferation Treaty (NPT) Non-Nuclear Weapon State Representatives NNSA Principal Deputy Administrator Madelyn Creedon with SNL Director and President Jill Hruby welcome Department of State Representatives and seven NPT Non-Nuclear Weapon State Representatives for 2nd NPT Transparency Visit. WASHINGTON - On October 26 and 27,

  19. Summary of NR Program Prometheus Efforts

    SciTech Connect (OSTI)

    Ashcroft, John; Eshelman, Curtis

    2007-01-30

    The Naval Reactors Program led work on the development of a reactor plant system for the Prometheus space reactor program. The work centered on a 200 kWe electric reactor plant with a 15-20 year mission applicable to nuclear electric propulsion (NEP). After a review of all reactor and energy conversion alternatives, a direct gas Brayton reactor plant was selected for further development. The work performed subsequent to this selection included preliminary nuclear reactor and reactor plant design, development of instrumentation and control techniques, modeling reactor plant operational features, development and testing of core and plant material options, and development of an overall project plan. Prior to restructuring of the program, substantial progress had been made on defining reference plant operating conditions, defining reactor mechanical, thermal and nuclear performance, understanding the capabilities and uncertainties provided by material alternatives, and planning non-nuclear and nuclear system testing. The mission requirements for the envisioned NEP missions cannot be accommodated with existing reactor technologies. Therefore concurrent design, development and testing would be needed to deliver a functional reactor system. Fuel and material performance beyond the current state of the art is needed. There is very little national infrastructure available for fast reactor nuclear testing and associated materials development and testing. Surface mission requirements may be different enough to warrant different reactor design approaches and development of a generic multi-purpose reactor requires substantial sacrifice in performance capability for each mission.

  20. Summary of NR Program Prometheus Efforts

    SciTech Connect (OSTI)

    J Ashcroft; C Eshelman

    2006-02-08

    The Naval Reactors Program led work on the development of a reactor plant system for the Prometheus space reactor program. The work centered on a 200 kWe electric reactor plant with a 15-20 year mission applicable to nuclear electric propulsion (NEP). After a review of all reactor and energy conversion alternatives, a direct gas Brayton reactor plant was selected for further development. The work performed subsequent to this selection included preliminary nuclear reactor and reactor plant design, development of instrumentation and control techniques, modeling reactor plant operational features, development and testing of core and plant material options, and development of an overall project plan. Prior to restructuring of the program, substantial progress had been made on defining reference plant operating conditions, defining reactor mechanical, thermal and nuclear performance, understanding the capabilities and uncertainties provided by material alternatives, and planning non-nuclear and nuclear system testing. The mission requirements for the envisioned NEP missions cannot be accommodated with existing reactor technologies. Therefore concurrent design, development and testing would be needed to deliver a functional reactor system. Fuel and material performance beyond the current state of the art is needed. There is very little national infrastructure available for fast reactor nuclear testing and associated materials development and testing. Surface mission requirements may be different enough to warrant different reactor design approaches and development of a generic multi-purpose reactor requires substantial sacrifice in performance capability for each mission.

  1. LANSCE | Lujan Center | Highlights | Neutron Reflectometry (NR...

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

    composites because the scattering strength is a non-monotonic function of the Z number of a material. Therefore, elements like Cu and Nb provide the necessary neutron...

  2. NR Pu SEIS Advisory 07152010 _final_.doc

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

    NPT Compliance Maintaining the safety, security and effectiveness of the nuclear deterrent without nuclear testing - especially at lower numbers - requires increased investments across the nuclear security enterprise. Maintaining the safety, security and effectiveness of the nuclear deterrent without nuclear testing - especially at lower numbers - requires increased investments across the nuclear security enterprise. Maintaining the safety, security and effectiveness of a smaller nuclear

  3. NR SRNS Contract Extension Sept 6 2012.docx

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

    September 6, 2012 Bill Taylor, 803-952-8564 bill.taylor@srs.gov DOE to Extend Savannah River Nuclear Solutions Contract at Savannah River Site to September 2016 Aiken, SC -- The Department of Energy's (DOE) Savannah River Operations Office today exercised its option to extend the current Savannah River Site Management and Operating contract with Savannah River Nuclear Solutions, LLC (SRNS) for an additional 38 months, from August 1, 2013 to September 2016. The SRNS contract was competitively

  4. NR-WFR Plan for Comment July 8 2013.docx

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

    Monday, July 8, 2013 Bill Taylor - 803-952-8564 bill.taylor@srs.gov Public Comment Sought for Savannah River Site Workforce Restructuring Plan AIKEN, SC -- The Department of Energy Savannah River Site (DOE-SR) has posted a draft workforce restructuring plan for public comment. The draft workforce restructuring plan, prepared under Section 3161 of the National Defense Authorization Act, is designed to mitigate the impacts of any potential workforce reductions to contractor employees at the Site

  5. NR WIPP Transportation Award Jan 9 2012f.docx

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

    Environmental Management Consolidated Business Center 250 E. 5 th Street, Suite 500, Cincinnati, Ohio 45202 Media Contact: For Immediate Release Bill Taylor 803-952-8564 January 9,...

  6. DOE and HBCU MOU FINAL NR.doc

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

    AIKEN, SC 29802 NEWS MEDIA CONTACTS: IMMEDIATE RELEASE Hope Derrick, (803) 799-1100 Thursday, September 3, 2009 hope.derrick@mail.house.gov Julie Petersen, (803) 952-7690...

  7. 2008-07-31 Draft NR Block Template

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

    Customer Name acquires from an identified or unidentified electricity-producing unit by contract purchase, and for which the amount received by Customer Name does not...

  8. Microsoft Word - NR WIPP CONTRACT EXTENSION MAY 3 2010.docx

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

    DOE Extends Management and Operations Contract at Waste Isolation Pilot Plant Carlsbad, NM. - The U.S. Department of Energy's Waste Isolation Pilot Plant (WIPP) today announced a two-year extension of the Washington TRU Solutions LLC management and operations (M&O) contract. As the WIPP M&O contractor, Washington TRU Solutions is responsible for managing the National Transuranic (TRU) Waste Program, which includes retrieval, characterization, transportation, and disposal activities at

  9. Microsoft Word - 090723NR200WGW.doc

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

    Geoff Tyree, DOE July 23, 2009 (509) 376-4171, Geoff_Tyree@rl.gov U.S. Department of Energy Announces Start of Construction on Hanford's Largest Groundwater Treatment System Treatment system funded by American Recovery and Reinvestment Act RICHLAND, Wash. - Dr. Inés Triay, U.S. Department of Energy Assistant Secretary for Environmental Management, today announced that construction of the largest treatment system for contaminated groundwater to date at the U.S. Department of Energy's Hanford

  10. Microsoft Word - DE-NR0000031-075.doc

    National Nuclear Security Administration (NNSA)

    ... the items and remove them or enter into a storage agreement. ... Government may, under the terms and conditions it ... to post jobs as well as search the resume database. ...

  11. Microsoft Word - DE-NR0000031-FY11.doc

    National Nuclear Security Administration (NNSA)

    ... notices to employees about terms and conditions of ... the Secretary of Labor, to enter into such litigation to ... Dynamic Small Business Search and HUBZone Search Local ...

  12. Microsoft Word - DE-NR0000031-001.rtf

    National Nuclear Security Administration (NNSA)

    ... minori- ties and women to enter technical fields Recruit to ... Offi cer to expand the search for a qualifi ed ... If you accept this offer, the terms descri bed in this ...

  13. DOE-NR CAB New Members.docx

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

    on the Citizens Advisory Board. The Savannah River Site (SRS) Citizens Advisory Board (CAB) is a community board that provides advice and recommendations, from a community...

  14. NR-CAB Meeting March 25-26 2013.docx

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

    Management cleanup programs. For addition information on the SRS Citizens Advisory Board visit: http:www.srs.govgeneraloutreachsrs-cabsrs-cab.html -DOE- SR-13-01...

  15. NR Hanford OCMED Awd4 June 8 2012.docx

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

    Management Consolidated Business Center 250 E. 5 th Street, Suite 500, Cincinnati, Ohio 45202 Media Contact: June 8, 2012 Cameron Hardy 509-308-4947 Cameron.hardy@rl.gov DOE ...

  16. Microsoft Word - NR WIPP CONTRACT EXTENSION MAY 3 2010.docx

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

    DOE Extends Management and Operations Contract at Waste Isolation Pilot Plant Carlsbad, NM. - The U.S. Department of Energy's Waste Isolation Pilot Plant (WIPP) today announced a...

  17. c5nr01856k 9878..9885 ++

    Office of Scientific and Technical Information (OSTI)

    Universitat de Barcelona, Marti i Franques 1, 08028 Barcelona, Spain cDepartament de Fisica, Universitat Autonoma de Barcelona, 08193 Bellaterra (Barcelona), Spain dICN2 - ...

  18. NR-SRS TRU Waste Shipments Milestone June 4 2013.docx

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

    June 4, 2013 Bill Taylor, DOE-SR, (803) 952-8564 bill.taylor@srs.gov DT Townsend, SRNS, (803) 952-7566 Dt-lawrence.townsend@srs.gov Savannah River Site Exceeds Waste Shipment Goals AIKEN, S.C. - During the month of April, the Savannah River Site met two new milestone records towards analyzing, preparing, packaging and shipping radioactive transuranic (TRU) waste bound for a disposal site in New Mexico. The Savannah River Nuclear Solutions Solid Waste organization completed thirty-two TRU waste

  19. Microsoft Word - NR WIPP TRANSPORT RFP MARCH 30 2011f2

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

    Shipments Cincinnati -- The Department of Energy (DOE) today will issue a Request for Proposals for the continuation of carrier services to transport transuranic waste (TRU) ...

  20. Microsoft Word - NR WIPP TECH ASSISTANCE RFQ MAY 3 2010.doc

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

    WIPP's mission is to safely characterize, transport, and dispose of radioactive waste resulting from defense activities. The CBFO is responsible for ensuring safe and...

  1. N.R. 20 FOSSIL-FUELED POWER PLANTS; 21 SPECIFIC NUCLEAR REACTORS...

    Office of Scientific and Technical Information (OSTI)

    20 FOSSIL-FUELED POWER PLANTS; 21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS; 14 SOLAR ENERGY; 15 GEOTHERMAL ENERGY; GEOTHERMAL POWER PLANTS; COMPUTERIZED SIMULATION; HEAT...

  2. http://www.bls.gov/news.release/osh.nr0.htm

    National Nuclear Security Administration (NNSA)

    industry injury and illness cases reported nationally in 2009 were of a more serious nature that involved days away from work, job transfer, or restriction--commonly referred to...

  3. 100-NR-2 Apatite Treatability Test: Fall 2010 Tracer Infiltration Test (White Paper)

    SciTech Connect (OSTI)

    Vermeul, Vincent R.; Fritz, Brad G.; Fruchter, Jonathan S.; Greenwood, William J.; Johnson, Timothy C.; Horner, Jacob A.; Strickland, Christopher E.; Szecsody, James E.; Williams, Mark D.

    2011-04-14

    The primary objectives of the tracer infiltration test were to 1) determine whether field-scale hydraulic properties for the compacted roadbed materials and underlying Hanford fm. sediments comprising the zone of water table fluctuation beneath the site are consistent with estimates based laboratory-scale measurements on core samples and 2) characterize wetting front advancement and distribution of soil moisture achieved for the selected application rate. These primary objectives were met. The test successfully demonstrated that 1) the remaining 2 to 3 ft of compacted roadbed material below the infiltration gallery does not limit infiltration rates to levels that would be expected to eliminate near surface application as a viable amendment delivery approach and 2) the combined aqueous and geophysical monitoring approaches employed at this site, with some operational adjustments based on lessons learned, provides an effective means of assessing wetting front advancement and the distribution of soil moisture achieved for a given solution application. Reasonably good agreement between predicted and observed tracer and moisture front advancement rates was observed. During the first tracer infiltration test, which used a solution application rate of 0.7 cm/hr, tracer arrivals were observed at the water table (10 to 12 ft below the bottom of the infiltration gallery) after approximately 5 days, for an advancement rate of approximately 2 ft/day. This advancement rate is generally consistent with pre-test modeling results that predicted tracer arrival at the water table after approximately 5 days (see Figure 8, bottom left panel). This agreement indicates that hydraulic property values specified in the model for the compacted roadbed materials and underlying Hanford formation sediments, which were based on laboratory-scale measurements, are reasonable estimates of actual field-scale conditions. Additional work is needed to develop a working relationship between resistivity change and the associated change in moisture content so that 4D images of moisture content change can be generated. Results from this field test will be available for any future Ca-citrate-PO4 amendment infiltration tests, which would be designed to evaluate the efficacy of using near surface application of amendments to form apatite mineral phases in the upper portion of the zone of water table fluctuation.

  4. SRS Biomass Startup NR-03 12 12 - DOE FINAL.docx

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

    AIKEN, SC 29802 NEWS MEDIA CONTACTS FOR IMMEDIATE RELEASE Amy Caver (803) 952-7213 March 12, 2012 amy.caver@srs.gov CarolAnn Hibbard, (508) 661-2264 news@ameresco.com SRS MARKS SUCCESSFUL OPERATIONAL STARTUP OF NEW BIOMASS COGENERATION FACILITY Senior DOE Officials and SC Congressional Leadership Gather to Celebrate Major Renewable Energy Project AIKEN, S.C. - (March 12) Today, Under Secretary of Energy Thomas D'Agostino joined U.S. Representative Joe Wilson (R-SC) and other senior officials

  5. Microsoft Word - NR DRAFT RFP WIPP M&O APR 1 2011

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

    April 1, 2011 william.taylor@emcbc.doe.gov DOE Issues Draft Request for Proposals Seeking Contractor to Manage, Operate Waste Isolation Pilot Plant Cincinnati -- The U.S....

  6. http://www.bls.gov/news.release/osh.nr0.htm

    National Nuclear Security Administration (NNSA)

    ... using the 2007 version of the North American Industry Classification System (NAICS 2007). ... Freedom of Information Act | Privacy & Security Statement | Disclaimers | Customer ...

  7. Performance of Nafion® N115, Nafion® NR-212, and Nafion® NR-211 in a 1 kW Class All Vanadium Mixed Acid Redox Flow Battery

    SciTech Connect (OSTI)

    Reed, David M.; Thomsen, Edwin C.; Wang, Wei; Nie, Zimin; Li, Bin; Wei, Xiaoliang; Koeppel, Brian J.; Sprenkle, Vincent L.

    2015-07-01

    Three Nafion membranes of similar composition but different thicknesses were operated in a 3-cell 1kW class all vanadium mixed acid redox flow battery. The influence of current density on the charge/discharge characteristics, coulombic and energy efficiency, capacity fade, operating temperature and pressure drop in the flow circuit will be discussed and correlated to the Nafion membrane thickness. Material costs associated with the Nafion membranes, ease of handling the membranes, and performance impacts will also be discussed.

  8. E&nr Ph. S. W.. Wahhgt~n. D.C. 200242174, TIkpbnc (202) 48a60uo

    Office of Legacy Management (LM)

    ... Several colleges and universities, including the University of California, the University ... NAME California Inst. of Technology University of California Yale Heavy Ion Linear ...

  9. Multiple Irradiation Capsule Experiment (MICE)-3B Irradiation Test of Space Fuel Specimens in the Advanced Test Reactor (ATR) - Close Out Documentation for Naval Reactors (NR) Information

    SciTech Connect (OSTI)

    M. Chen; CM Regan; D. Noe

    2006-01-09

    Few data exist for UO{sub 2} or UN within the notional design space for the Prometheus-1 reactor (low fission rate, high temperature, long duration). As such, basic testing is required to validate predictions (and in some cases determine) performance aspects of these fuels. Therefore, the MICE-3B test of UO{sub 2} pellets was designed to provide data on gas release, unrestrained swelling, and restrained swelling at the upper range of fission rates expected for a space reactor. These data would be compared with model predictions and used to determine adequacy of a space reactor design basis relative to fission gas release and swelling of UO{sub 2} fuel and to assess potential pellet-clad interactions. A primary goal of an irradiation test for UN fuel was to assess performance issues currently associated with this fuel type such as gas release, swelling and transient performance. Information learned from this effort may have enabled use of UN fuel for future applications.

  10. Microsoft Word - HABAdv #236_100-N_RIFS.doc

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

    of Benton Blvd. Richland, WA 99354 Re: Integrated 100 Area Remedial InvestigationFeasibility Study Work Plan Addendum 5: 100-NR-1 and 100-NR-2 Operable Units (DOE...

  11. New Y-12 Mill Supports Non-Proliferation | National Nuclear Security

    National Nuclear Security Administration (NNSA)

    Administration | (NNSA) Mill Supports Non-Proliferation November 09, 2010 Microsoft Office document icon NR-11-09

  12. Bettis and Knolls Atomic Power Laboratories | National Nuclear Security

    National Nuclear Security Administration (NNSA)

    Administration | (NNSA) Bettis and Knolls Atomic Power Laboratories Bettis and Knolls Atomic Power Laboratories DE-NR0000031 Managed and Operated by Bechtel Marine Propulsion Corporation Updated to Modification 075 dated 10/10/2012 BASIC Contract (Official) Modifications (Official) Funding Mods Available Upon Request Conformed Contract (Unofficial) Basic Contract (9/18/2008) (pdf, 2307KB) NR 001 (12/8/08) (pdf, 7938KB) DE-NR0000031 (Conformed to Mod 075 dated 10/10/2011) (pdf, 12MB) NR 002

  13. David Young Named NNSA Security Professional of the Year | National Nuclear

    National Nuclear Security Administration (NNSA)

    Security Administration | (NNSA) David Young Named NNSA Security Professional of the Year November 20, 2008 Microsoft Office document icon NR-09-08 Young

  14. NNSA Defense Programs Announces Quarterly Awards | National Nuclear

    National Nuclear Security Administration (NNSA)

    Security Administration | (NNSA) Defense Programs Announces Quarterly Awards February 16, 2011 Microsoft Office document icon NR-02-16.doc

  15. Robbins Named NNSA Federal Safety Professional of the Year | National

    National Nuclear Security Administration (NNSA)

    Nuclear Security Administration | (NNSA) Robbins Named NNSA Federal Safety Professional of the Year April 06, 2007 Microsoft Office document icon NR-03-07

  16. Two Key NNSA Site Offices Registerd Under International Quality Standard |

    National Nuclear Security Administration (NNSA)

    National Nuclear Security Administration | (NNSA) Two Key NNSA Site Offices Registerd Under International Quality Standard June 24, 2005 PDF icon NR06-05.pdf

  17. Y-12 Final Site-Wide Environmental Impact Statement Approved | National

    National Nuclear Security Administration (NNSA)

    Nuclear Security Administration | (NNSA) Final Site-Wide Environmental Impact Statement Approved March 02, 2011 Microsoft Office document icon NR-03-2

  18. Y-12 Finishes Initial HEUMF Loading Ahead of Schedule | National Nuclear

    National Nuclear Security Administration (NNSA)

    Security Administration | (NNSA) Finishes Initial HEUMF Loading Ahead of Schedule April 09, 2010 Microsoft Office document icon NR-01-10

  19. Y-12 Successfully Meets and Exceeds Defense Programs Goals During FY 2010 |

    National Nuclear Security Administration (NNSA)

    National Nuclear Security Administration | (NNSA) Successfully Meets and Exceeds Defense Programs Goals During FY 2010 November 10, 2010 Microsoft Office document icon NR-11-10

  20. Search for: All records | DOE PAGES

    Office of Scientific and Technical Information (OSTI)

    By combining surface imaging with nanoscale depth-sensitive neutron reflectometry (NR) and ... Inverted Organic Solar Cells with Nanoscale Structures Das, Sanjib ; Keum, Jong Kahk ...

  1. Peculiarity of two thermodynamically-stable morphologies and...

    Office of Scientific and Technical Information (OSTI)

    By combining surface imaging with nanoscale depth-sensitive neutron reflectometry (NR) and ... Language: English Subject: 14 SOLAR ENERGY nanoscale materials; solar cells Word Cloud ...

  2. Chemical and isotopic characteristics of fluids within the Baca...

    Open Energy Info (EERE)

    by conductive reheating during downward movement. Chemical modeling using the EQ3NR computer code indicates chemical stability with the mineral assemblage quartz, albite, K-mica,...

  3. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    mariapoienar@yahoo.com ; National Institute for Research and Development in Electrochemistry and Condensed Matter, Plautius Andronescu Str Nr 1, 300224 Timisoara ; Hardy,...

  4. LANL: AOT & LANSCE The Pulse December 2012

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

    ... Department of Physics and Astronomy, used a combination of surface enhanced Raman spectroscopy (SERS) and neutron refectometry (NR) to nondestructively characterize with ...

  5. Carbon Connections | Open Energy Information

    Open Energy Info (EERE)

    Connections Jump to: navigation, search Name: Carbon Connections Place: Norfolk, England, United Kingdom Zip: NR4 7TJ Sector: Carbon Product: Carbon Connections links partner...

  6. Y-12 Completes Major Upgrade of Compressed Air Systems | National Nuclear

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

    Security Administration | (NNSA) Major Upgrade of Compressed Air Systems September 26, 2007 Microsoft Office document icon NR-09-07

  7. Bench-Scale Cross Flow Filtration of

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

    ... Laulainen, NR Larson, and JC Barnard, 2001: Multiyear Measurements of Aerosol Optical Depth in the Atmospheric Radiation Measurement and Quantitative Links Programs." J. Geophys. ...

  8. Terri Slack Named Site Counsel for NNSA's Y-12 Site Office | National

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

    Nuclear Security Administration | (NNSA) Terri Slack Named Site Counsel for NNSA's Y-12 Site Office January 12, 2006 PDF icon NR-01-06

  9. Bevington_1960.pdf

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

    Administration | (NNSA) Bettis and Knolls Atomic Power Laboratories Bettis and Knolls Atomic Power Laboratories DE-NR0000031 Managed and Operated by Bechtel Marine Propulsion Corporation Updated to Modification 075 dated 10/10/2012 BASIC Contract (Official) Modifications (Official) Funding Mods Available Upon Request Conformed Contract (Unofficial) Basic Contract (9/18/2008) (pdf, 2307KB) NR 001 (12/8/08) (pdf, 7938KB) DE-NR0000031 (Conformed to Mod 075 dated 10/10/2011) (pdf, 12MB) NR 002

  10. WJLP-~

    Office of Legacy Management (LM)

    ... . . . . . . . . . . . . . . . . . . . . . . 31772.4020 Bessam-Aire Inc. (Air Coolers Turbine Spray Paint Systems), 28880-T Cannon Il+wlund, OH 44146 (Ex.) (IM+) (TELFX: n,r ...

  11. December 2010 | National Nuclear Security Administration | (NNSA)

    National Nuclear Security Administration (NNSA)

    December 2010 December 09, 2010 Small Business Contracts Surge from the Department of Energy's Work in Oak Ridge Microsoft Office document icon NR-12

  12. Dabbrook Services | Open Energy Information

    Open Energy Info (EERE)

    Services Jump to: navigation, search Name: Dabbrook Services Place: Great Yarmouth, United Kingdom Zip: NR31 6PT Sector: Services Product: Provides design and engineering...

  13. Econic Renewable Energy Solutions | Open Energy Information

    Open Energy Info (EERE)

    Econic Renewable Energy Solutions Jump to: navigation, search Name: Econic Renewable Energy Solutions Place: Norfolk, United Kingdom Zip: NR 105PQ Sector: Renewable Energy Product:...

  14. Cimon, Engstrom, Mattson, Pollet, Vanni, Suyama Page 1 of 3

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

    2014 RAP Committee: Draft Advice re: 100-N Draft A, v.2 Cimon, Engstrom, Mattson, Pollet, Vanni, Suyama Page 1 of 3 Draft Advice re: Proposed Plan for Remediation of the 100-NR-1 and 100-NR-2 Operable Units (DOE/RL-2012-68, Draft A) Background The 100-N area is the last of the 100 Area, River Corridor, RI/FS and Proposed Plans for submittal. The 100-N area consists of two Decision Units, NR-1, which is the source unit, and NR-2, the groundwater unit. There are 234 facilities, of which 76% have

  15. Hoag Named Y-12 Site Office Senior Project Director | National Nuclear

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

    Security Administration | (NNSA) Hoag Named Y-12 Site Office Senior Project Director July 20, 2007 Microsoft Office document icon NR-08-07

  16. Microsoft PowerPoint - 3 - Marcinowski Waste Presentation.pptx

    Office of Environmental Management (EM)

    - Soot cleaning of electrical panels * Expedite mine stability * Initial ... Handled RH - Remote Handled SNF - Spent Nuclear Fuel SNF IDAHO SITE NR SNF DOECommercial ...

  17. Microsoft PowerPoint - SSAB Chairs Spring 2015 Marcinowski final...

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

    - Soot cleaning of electrical panels * Expedite mine stability * Initial ... Handled RH - Remote Handled SNF - Spent Nuclear Fuel SNF IDAHO SITE NR SNF DOECommercial ...

  18. Careers & the disABLED Career Expo

    Office of Energy Efficiency and Renewable Energy (EERE)

    Location: Ronald Reagan Bldg, Washington, DCAttendees:  Terri Sosa (Science)POC:  Donna FriendWebsite: http://bit.ly/1tlHhNr

  19. LANL: AOT & LANSCE The Pulse December 2009

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

    ... Hillary Smith, Michael Jablin, and Jaroslaw Majewski (LANSCE- LC); and Joseph Hickey, Antoinette Trujillo, and James Freyer (B-9) used NR to examine living mouse fbroblast cells ...

  20. NREL Demonstrates Efficient Solar Water Splitting by Metal Oxide...

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

    Reference: Seabold, J.A.; Zhu, K.; Neale. N.R. (2014). "Efficient Solar Photoelectrolysis ... NRELFS-5900-61070 | January 2014 NREL Demonstrates Efficient Solar Water Splitting by ...

  1. February 2011 | National Nuclear Security Administration | (NNSA)

    National Nuclear Security Administration (NNSA)

    February 2011 February 16, 2011 NNSA Defense Programs Announces Quarterly Awards Microsoft Office document icon NR-02-16.doc February 04, 2011 NNSA Y-12 National Security Complex Transfers $8M of Equipment to DoD for Reapplication Microsoft Office document icon NR-02-11

  2. Supplement Analysis For Disposal of Certain Rocky Flats Plutonium...

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

    ... Dose 1.6+02 rem 6.0E-OI person-rem (per 35 years) 3.0-04 LCF Offsite Population ... crushin2 1.0E+03 rem (per 5- years) 4.0E-OI LCF N.R N.R. --- Involved Workforce Source: ...

  3. Prometheus Reactor I&C Software Development Methodology, for Action

    SciTech Connect (OSTI)

    T. Hamilton

    2005-07-30

    The purpose of this letter is to submit the Reactor Instrumentation and Control (I&C) software life cycle, development methodology, and programming language selections and rationale for project Prometheus to NR for approval. This letter also provides the draft Reactor I&C Software Development Process Manual and Reactor Module Software Development Plan to NR for information.

  4. Nitrogen-doped and simultaneously reduced graphene oxide with superior dispersion as electrocatalysts for oxygen reduction reaction

    SciTech Connect (OSTI)

    Lee, Cheol-Ho; Yun, Jin-Mun; Lee, Sungho; Jo, Seong Mu; Yoo, Sung Jong; Cho, Eun Ae; Khil, Myung-Seob; Joh, Han-Ik

    2014-11-15

    Nitrogen doped graphene oxide (Nr-GO) with properties suitable for electrocatalysts is easily synthesized using phenylhydrazine as a reductant at relatively low temperature. The reducing agent removes various oxygen functional groups bonded to graphene oxide and simultaneously dope the nitrogen atoms bonded with phenyl group all over the basal planes and edge sites of the graphene. The Nr-GO exhibits remarkable electrocatalytic activities for oxygen reduction reaction compared to the commercial carbon black and graphene oxide due to the electronic modification of the graphene structure. In addition, Nr-GO shows excellent dispersibility in various solvent due to the dopant molecules.

  5. March 2014 | National Nuclear Security Administration | (NNSA)

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

    March 2011 March 23, 2011 Y-12 Steam Plant Project Received National Recognition for Project Management Excellence Microsoft Office document icon NR-03-28.doc March 23, 2011 Daniel Hoag Named Y-12 Site Office Deputy Manager Microsoft Office document icon NR-03-23.doc March 17, 2011 Recovery Act Helps Y-12 Exceed Cleanup Goal at Manhattan Project-Era Building Microsoft Office document icon NR-03-17.doc March 02, 2011 Y-12 Final Site-Wide Environmental Impact Statement Approved Microsoft Office

  6. Christenson Named Federal Project Director for Highly Enriched Uranium

    National Nuclear Security Administration (NNSA)

    Materials Facility | National Nuclear Security Administration | (NNSA) Christenson Named Federal Project Director for Highly Enriched Uranium Materials Facility November 20, 2008 Microsoft Office document icon NR-08-08 Christenson.doc

  7. Cravens Named Co-Facility Representative of the Year for the Department of

    National Nuclear Security Administration (NNSA)

    Energy | National Nuclear Security Administration | (NNSA) Cravens Named Co-Facility Representative of the Year for the Department of Energy June 07, 2005 PDF icon NR05-05.pdf

  8. NNSA Announces Plans to Extend BWXT Y-12 Contract for Operation of the Y-12

    National Nuclear Security Administration (NNSA)

    National Security Complex | National Nuclear Security Administration | (NNSA) Plans to Extend BWXT Y-12 Contract for Operation of the Y-12 National Security Complex June 02, 2005 PDF icon NR04-05.pdf

  9. NNSA Y-12 National Security Complex Transfers $8M of Equipment to DoD for

    National Nuclear Security Administration (NNSA)

    Reapplication | National Nuclear Security Administration | (NNSA) Y-12 National Security Complex Transfers $8M of Equipment to DoD for Reapplication February 04, 2011 Microsoft Office document icon NR-02-11.doc

  10. Nuclear disarmament with a personal touch | National Nuclear Security

    National Nuclear Security Administration (NNSA)

    Administration | (NNSA) Nuclear disarmament with a personal touch February 15, 2012 Team Led by Y-12 Site Office Employee Visits Russian girl Aided by U.S. Monitors File NR-01-12 Sofia.docx

  11. Oak Ridge Complex Protective Services Contracts Awarded to Wackenhut

    National Nuclear Security Administration (NNSA)

    Services Inc. | National Nuclear Security Administration | (NNSA) Ridge Complex Protective Services Contracts Awarded to Wackenhut Services Inc. May 05, 2007 PDF icon NR-06-07.pdf

  12. Oak Ridge's Department of Energy Offices Achieve Small Business Contract

    National Nuclear Security Administration (NNSA)

    Funding Record | National Nuclear Security Administration | (NNSA) Ridge's Department of Energy Offices Achieve Small Business Contract Funding Record December 15, 2008 Microsoft Office document icon NR-08-53.doc

  13. Recovery Act Helps Y-12 Exceed Cleanup Goal at Manhattan Project-Era

    National Nuclear Security Administration (NNSA)

    Building | National Nuclear Security Administration | (NNSA) Helps Y-12 Exceed Cleanup Goal at Manhattan Project-Era Building March 17, 2011 Microsoft Office document icon NR-03-17

  14. Small Business Contracts Surge from the Department of Energy's Work in Oak

    National Nuclear Security Administration (NNSA)

    Ridge | National Nuclear Security Administration | (NNSA) Small Business Contracts Surge from the Department of Energy's Work in Oak Ridge December 09, 2010 Microsoft Office document icon NR-12-09

  15. Y-12 Deploys First Automated Security Weapons System in the DOE Nuclear

    National Nuclear Security Administration (NNSA)

    Weapons Complex | National Nuclear Security Administration | (NNSA) Deploys First Automated Security Weapons System in the DOE Nuclear Weapons Complex September 02, 2005 PDF icon NR09-05.pdf

  16. Y-12 Site Office Becomes First DOE Office to Receive Accreditation For

    National Nuclear Security Administration (NNSA)

    Technical Qualification Program | National Nuclear Security Administration | (NNSA) Becomes First DOE Office to Receive Accreditation For Technical Qualification Program April 21, 2007 PDF icon NR-04-07.pdf

  17. Scira Offshore Energy | Open Energy Information

    Open Energy Info (EERE)

    Kingdom Zip: NR32 1DE Sector: Wind energy Product: Developer of the Sheringham Shoals offshore wind farm. References: Scira Offshore Energy1 This article is a stub. You can...

  18. TO : W. B. Harris

    Office of Legacy Management (LM)

    :' Ofice nr emordfld%m o UNITED STATE? GOVERNMENT TO : W. B. Harris DATE,: Kay 25, 19jl FROM : T. B. Kle ' 4 SUBJECT: RZSJLTS OF AERCSOL SAMPLING AT U.S. B'JRKALI OF ?4EES ...

  19. Wind Power Renewables | Open Energy Information

    Open Energy Info (EERE)

    Wind Power Renewables Place: Norfolk, United Kingdom Zip: NR29 5BG Sector: Wind energy Product: Wind project developer Coordinates: 36.846825, -76.285069 Show Map Loading...

  20. Major Milestone Achieved in Nuclear Weapons Stockpile Stewardship Program

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

    at Y-12 | National Nuclear Security Administration | (NNSA) Major Milestone Achieved in Nuclear Weapons Stockpile Stewardship Program at Y-12 April 18, 2006 PDF icon NR-04-06.pdf

  1. National Nuclear Security Administration/Nevada Field Office

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

    ... programs. NSTec also works on projects for other federal agencies, as it fulfills its national security missions. RSL Aviation Chief of Maintenance Dave Krausnick NR-16-0010 XXX

  2. -

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

    - our vision is that one day they may become our employees." Scholarship recipients are given an opportunity to intern at NSTec after their first year of college. NR-15-0013 XXX

  3. Long-Term Measurements of Submicrometer Aerosol

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

    non-refractory submicron particulate matter (NR-PM1) including organic aerosol (OA), sulfate (SO 4 2- ), nitrate (NO 3 - ), ammonium (NH 4 + ), and chloride (Cl-). In this study,...

  4. Microsoft Word - Participants_Web.docx

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

    Research Day 2015 i Postdoc Participants Adamska, Lyudmyla T-1 Poster 003 Ahmed, Towfiq T-4 Poster 004 Barker, Beau C-NR Poster 005 Beedle, Christopher MPA-CMMS Poster 006 Bennett, ...

  5. Microsoft PowerPoint - SC-0023(SamPosterArmStm09).e.ppt

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

    Algorithm for Deriving Particle Size Distributions for Thin Clouds From Sun and Aureole ... in the column between the observer and the Sun, can be found from n(r) - ...

  6. Pellet Zone Ltd | Open Energy Information

    Open Energy Info (EERE)

    Pellet Zone Ltd Jump to: navigation, search Name: Pellet Zone Ltd Place: England, United Kingdom Zip: NR19 1AE Sector: Biomass Product: UK based biomass pellet trading firm....

  7. Research Highlight

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

    Atmospheric Environment, 106, DOI:10.1016j.atmosenv.2015.01.060. ONLINE. The monthly variations in average NR-PM1 mass concentration, composition and wind data for one year ...

  8. Monitoring Jobs

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

    Basic usage and options: sqs -a -w -u username,username,username... -nr -p partition,partition,partition... -np partition,partition,partition... sqs -s sqs -n sqs -f ...

  9. CX-005033: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Oil Cleanup in 100-NR-2CX(s) Applied: B6.1Date: 01/19/2011Location(s): Hanford, WashingtonOffice(s): Environmental Management, Office of River Protection-Richland Office

  10. Infrastructure Security

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

    waste to return of research reactor fuel of U.S. origin. In addition, Snl supports the nrC in the development of technical bases to support various rule-making activities...

  11. Microsoft Word - 2012 Research Day Winners.docx

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

    C-NR Marcus Weigand, MPA-CMMS Blake Sturtevant, MPA-11 Satish Karra, EES-16 Graham King, LANSCE-LC Eric Daub, EES-17T-CNLS Louise Evans, NEN-1 Benjamin Ueland, MPA-CMMS Yan...

  12. Nauru: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    "","visitedicon":"" Country Profile Name Nauru Population 9,275 GDP Unavailable Energy Consumption 0.00 Quadrillion Btu 2-letter ISO code NR 3-letter ISO code NRU Numeric ISO...

  13. November 2010 | National Nuclear Security Administration | (NNSA)

    National Nuclear Security Administration (NNSA)

    November 2010 November 29, 2010 NNSA Awards Bronze Medal Award to Mark Livesay of Y-12 Microsoft Office document icon R-11-29.doc November 10, 2010 Y-12 Successfully Meets and Exceeds Defense Programs Goals During FY 2010 Microsoft Office document icon NR-11-10.doc November 09, 2010 New Y-12 Mill Supports Non-Proliferation Microsoft Office document icon NR-11

  14. Sample variance in weak lensing: How many simulations are required?

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

    Petri, Andrea; May, Morgan; Haiman, Zoltan

    2016-03-24

    Constraining cosmology using weak gravitational lensing consists of comparing a measured feature vector of dimension Nb with its simulated counterpart. An accurate estimate of the Nb × Nb feature covariance matrix C is essential to obtain accurate parameter confidence intervals. When C is measured from a set of simulations, an important question is how large this set should be. To answer this question, we construct different ensembles of Nr realizations of the shear field, using a common randomization procedure that recycles the outputs from a smaller number Ns ≤ Nr of independent ray-tracing N-body simulations. We study parameter confidence intervalsmore » as a function of (Ns, Nr) in the range 1 ≤ Ns ≤ 200 and 1 ≤ Nr ≲ 105. Previous work [S. Dodelson and M. D. Schneider, Phys. Rev. D 88, 063537 (2013)] has shown that Gaussian noise in the feature vectors (from which the covariance is estimated) lead, at quadratic order, to an O(1/Nr) degradation of the parameter confidence intervals. Using a variety of lensing features measured in our simulations, including shear-shear power spectra and peak counts, we show that cubic and quartic covariance fluctuations lead to additional O(1/N2r) error degradation that is not negligible when Nr is only a factor of few larger than Nb. We study the large Nr limit, and find that a single, 240 Mpc/h sized 5123-particle N-body simulation (Ns = 1) can be repeatedly recycled to produce as many as Nr = few × 104 shear maps whose power spectra and high-significance peak counts can be treated as statistically independent. Lastly, a small number of simulations (Ns = 1 or 2) is sufficient to forecast parameter confidence intervals at percent accuracy.« less

  15. Nuclear and Radiochemistry

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

    NR Nuclear and Radiochemistry We provide vital radiochemical and radioanalytical capabilities to a wide range of programs. Contact Us Group Leader Felicia Taw Deputy Group Leader Rich Oldenborg Group Office (505) 667-4546 The Nuclear and Radiochemistry (C-NR) Group provides vital radiochemical and radioanalytical capabilities to a wide range of programs. These programs include maintenance and stewardship of the nuclear stockpile, nuclear non-proliferation, environmental management, international

  16. CX-001627: Categorical Exclusion Determination | Department of Energy

    Office of Environmental Management (EM)

    27: Categorical Exclusion Determination CX-001627: Categorical Exclusion Determination Test Reactor Cask Implementation CX(s) Applied: B2.5 Date: 04/12/2010 Location(s): Idaho Office(s): Idaho Operations Office, Nuclear Energy This proposed action is a process and facility modification. The Advanced Test Reactor (ATR) uses the Naval Reactors (NR) Casks to transport test trains between the Naval Reactors Facility (NRF) Expended Core Facility and the ATR. The NR Casks, however, are approaching the

  17. Relativistic effects for the reaction Sg + 6 CO → Sg(CO){sub 6}: Prediction of the mean bond energy, atomization energy, and existence of the first organometallic transactinide superheavy hexacarbonyl Sg(CO){sub 6}

    SciTech Connect (OSTI)

    Malli, Gulzari L.

    2015-02-14

    Our ab initio all-electron fully relativistic Dirac–Fock (DF) and nonrelativistic (NR) Hartree-Fock calculations predict the DF relativistic and NR energies for the reaction: Sg + 6 CO → Sg(CO){sub 6} as −7.39 and −6.96 eV, respectively, i.e., our calculated ground state total DF relativistic and NR energies for the reaction product Sg(CO){sub 6} are lower by 7.39 and 6.96 eV than the total DF and NR ground state energies of the reactants, viz., one Sg atom plus six CO molecules, respectively. Our calculated DF relativistic and NR atomization energies (Ae) are 65.23 and 64.82 eV, respectively, and so the contribution of relativistic effects to the Ae of ∼0.40 eV is marginal. The Sg–C and C–O optimized bond distances for the octahedral geometry as calculated in our DF (NR) calculations are 2.151 (2.318 Å) and 1.119 (1.114 Å), respectively. The BSSE correction calculated using the DIRAC code ∼14 kcal/mol. The relativistic DF and NR mean energies predicted by us are 118.8 and 111.9 kJ/mol, respectively, and the contribution of ∼7 kJ/mol due to relativistic effects to the mean energy of Sg(CO){sub 6} is negligible. Ours are the first calculations of the relativistic effects for the atomization energy, mean bond energy, and energy of the reaction for possible formation of Sg(CO){sub 6}, and both our relativistic DF and the NR treatments clearly predict for the first time the existence of hexacarbonyl of the transactinide superheavy element seaborgium Sg. In conclusion, relativistic effects are not significant for Sg(CO){sub 6}.

  18. Enhanced photoresponse of conformal TiO{sub 2}/Ag nanorod array-based Schottky photodiodes fabricated via successive glancing angle and atomic layer deposition

    SciTech Connect (OSTI)

    Haider, Ali; Biyikli, Necmi; Cansizoglu, Hilal; Cansizoglu, Mehmet Fatih; Karabacak, Tansel; Okyay, Ali Kemal

    2015-01-01

    In this study, the authors demonstrate a proof of concept nanostructured photodiode fabrication method via successive glancing angle deposition (GLAD) and atomic layer deposition (ALD). The fabricated metal-semiconductor nanorod (NR) arrays offer enhanced photoresponse compared to conventional planar thin-film counterparts. Silver (Ag) metallic NR arrays were deposited on Ag-film/Si templates by utilizing GLAD. Subsequently, titanium dioxide (TiO{sub 2}) was deposited conformally on Ag NRs via ALD. Scanning electron microscopy studies confirmed the successful formation of vertically aligned Ag NRs deposited via GLAD and conformal deposition of TiO{sub 2} on Ag NRs via ALD. Following the growth of TiO{sub 2} on Ag NRs, aluminum metallic top contacts were formed to complete the fabrication of NR-based Schottky photodiodes. Nanostructured devices exhibited a photo response enhancement factor of 1.49??10{sup 2} under a reverse bias of 3 V.

  19. November 22

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

    November 2010 November 29, 2010 NNSA Awards Bronze Medal Award to Mark Livesay of Y-12 Microsoft Office document icon R-11-29.doc November 10, 2010 Y-12 Successfully Meets and Exceeds Defense Programs Goals During FY 2010 Microsoft Office document icon NR-11-10.doc November 09, 2010 New Y-12 Mill Supports Non-Proliferation Microsoft Office document icon NR-11

    November 2014 DOE/NNSA Participates in Large-Scale CTBT On-Site Inspection Exercise in Jordan Friday, November 28, 2014 - 9:05am

  20. February 22, 2013

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

    February 2011 February 16, 2011 NNSA Defense Programs Announces Quarterly Awards Microsoft Office document icon NR-02-16.doc February 04, 2011 NNSA Y-12 National Security Complex Transfers $8M of Equipment to DoD for Reapplication Microsoft Office document icon NR-02-11

    February 2011 February 2011 February 28, 2011 In this issue: NNSA Helps Keep Super Bowl Safe President's 2012 Budget Request Invests in Future of NNSA Njema Frazier Named to TheGrio's 100 History Makers List NNSA Pushes

  1. SREL Reprint #3036

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

    6 Extreme arsenic resistance by the acidophilic archaeon ‘Ferroplasma acidarmanus’ Fer1 Craig Baker-Austin1,6, Mark Dopson1,2, Margaret Wexler1, R. Gary Sawers3, Ann Stemmler4, Barry P. Rosen4, and Philip L. Bond1,5,7 1School of Biological Sciences, University of East Anglia, Norwich NR4 7TJ, UK 2Molecular Biology, Umeå University, SE-901 87 Umeå, Sweden 3Department of Molecular Biology, John Innes Centre, Norwich NR4 7UH, UK 4Department of Biochemistry and Molecular Biology, Wayne state

  2. Strongly enhanced Raman scattering of graphene by a single gold nanorod

    SciTech Connect (OSTI)

    He, Yingbo; Shen, Hongming; Cheng, Yuqing; Lu, Guowei Gong, Qihuang

    2015-08-03

    Individual gold nanorods (AuNRs) and monolayer graphene hybrid system is investigated experimentally. Surface enhanced Raman scattering (SERS) signal of the graphene is observed due to a single AuNR with enhancement factor up to ∼1000-fold. The SERS intensity is strongly polarization dependent and the enhancement effect varies with the detuning between the excitation laser and the AuNR resonance. The SERS effect is highest when the resonant wavelength of the AuNRs matches well with the excitation light. By correlating the scattering and photoluminescence, it is demonstrated that the conventional background in SERS ascribes to the photon emission of metallic nanostructures.

  3. Presentation Title

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

    4/20/2015 2:07 PM Budget Atomization April 2015 National Nuclear Security Administration 2 4/20/2015 2:07 PM Overview of NNSA Budget Structure As of May 2014: * 4 Treasury Symbols o Weapons Activities (WA), Defense Nuclear Nonproliferation (DNN), Naval Reactors (NR), and Federal Salaries and Expenses (FSE) o Federal personnel accounts in FSE, WA, and NR have sub-accounts within 4 symbols o Congressional approval required to move funds between * 166 Congressional Controls o 123 (74%) < $50M o

  4. Issue framework for potential 100-N advice (lead Issue Manager: Engstrom

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

    framework for potential 100-N advice (lead Issue Manager: Engstrom) Background information The 100-N area is the last of the 100 Area, River Corridor, RI/FS and Proposed Plans for submittal. The 100-N area consists of two Decision Units, NR-1, which is the source unit, and NR-2, the groundwater unit. There are 234 facilities, of which 76% have been demolished, and there are 175 waste sites and four RCRA TSD sites. Of these waste sites, 18 have been cleaned up and 78 have been scheduled for start

  5. PowerPoint Presentation

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

    N Proposed Plan & RI/FS Report * Submitted to Ecology June 2012 * TPA Milestone M-015-75 * TPA "Primary Document" * 45 day review (30 day extension) N Reactor Operational History *Reactor constructed from 1958-1963 *Full Production started January 1964 *Operated continuously until January 1987 *Placed in Cold Standby February 1988 *Shutdown order issued September 1991 100-K 100-N 100-NR-1 / NR-2 Operable Unit * 234 facilities * 136 waste sites * 4 RCRA designated TSD facilities * *

  6. Polymers incorporating covalently attached organoimido polyoxometalates

    DOE Patents [OSTI]

    Maatta, Eric A.; Moore, Aaron R.

    2004-03-16

    New polyoxometalate compounds and polymers comprising recurring monomers of those compounds are provided. The compounds are formed by replacing at least one oxide of the starting polyoxometalate with an organoimido (NR) group bonded to the polyoxometalate via a triple bond to the nitrogen atom. The R of the (NR) group comprises a reactive functional group which renders the compound readily polymerizable, alone or with other monomers (e.g., divinylbenzene), to form the inventive polymers. Additionally, a countercation (e.g., bis(tetra-n-butylammonium)) can be mixed with the polyoxometalate compounds in order to neutralize the negative charge thereof as well as to make those compounds more soluble in organic solvents.

  7. Section 3161 Announcement: Possible Workforce Restructuring at the Y-12

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

    National Security Complex and Its Satellite Facilities Announced | National Nuclear Security Administration | (NNSA) Section 3161 Announcement: Possible Workforce Restructuring at the Y-12 National Security Complex and Its Satellite Facilities Announced October 10, 2007 Microsoft Office document icon NR-10-07

  8. OO84O4c6sP HNF-SD-WM-II-740, Rev. OB

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

    ... Cadmium NR 2 8.2 7.3.1 Cerium A 8.8 5.5 Silver W? 8.93 7.3.2 Thorium A 25.6 7.3.3 ......... 7-16 7.3.3 Thorium......

  9. Daniel Hoag Named Y-12 Site Office Deputy Manager | National Nuclear

    National Nuclear Security Administration (NNSA)

    Security Administration | (NNSA) Y-12 Site Office Deputy Manager March 23, 2011 Daniel hoag named y-12 site office deputy manager. OAK RIDGE, Tenn. -- Daniel K. Hoag has been named Deputy Manager for the National Nuclear Security Administration's Y-12 Site Office (YSO). Microsoft Office document icon NR-03-23.doc

  10. Y-12 Steam Plant Project Received National Recognition for Project

    National Nuclear Security Administration (NNSA)

    Management Excellence | National Nuclear Security Administration | (NNSA) Steam Plant Project Received National Recognition for Project Management Excellence March 23, 2011 Y-12 steam plant project receives national recognition for project management excellence. Y-12's Steam Plant Life Extension Project (SPLE) has received the Secretary of Energy's Project Management Improvement Award. Microsoft Office document icon NR-03-28

  11. DOE/EIS-0132-F United States Department ...

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

    ... T h e U . S. N u c l ea r R eg u l a to ry C omi s sion ( NR C ) wi l l c o n c u r in t h ... E . 2 . 1 3 ) . The dRAP sumary, however, omi ts hydra u l i c condu c t i v i ty v a l ...

  12. Acid-catalyzed dehydrogenation of amine-boranes

    DOE Patents [OSTI]

    Stephens, Frances Helen; Baker, Ralph Thomas

    2010-01-12

    A method of dehydrogenating an amine-borane using an acid-catalyzed reaction. The method generates hydrogen and produces a solid polymeric [R.sup.1R.sup.2B--NR.sup.3R.sup.4].sub.n product. The method of dehydrogenating amine-boranes may be used to generate H.sub.2 for portable power sources.

  13. The correlation study of parallel feature extractor and noise reduction approaches

    SciTech Connect (OSTI)

    Dewi, Deshinta Arrova; Sundararajan, Elankovan; Prabuwono, Anton Satria

    2015-05-15

    This paper presents literature reviews that show variety of techniques to develop parallel feature extractor and finding its correlation with noise reduction approaches for low light intensity images. Low light intensity images are normally displayed as darker images and low contrast. Without proper handling techniques, those images regularly become evidences of misperception of objects and textures, the incapability to section them. The visual illusions regularly clues to disorientation, user fatigue, poor detection and classification performance of humans and computer algorithms. Noise reduction approaches (NR) therefore is an essential step for other image processing steps such as edge detection, image segmentation, image compression, etc. Parallel Feature Extractor (PFE) meant to capture visual contents of images involves partitioning images into segments, detecting image overlaps if any, and controlling distributed and redistributed segments to extract the features. Working on low light intensity images make the PFE face challenges and closely depend on the quality of its pre-processing steps. Some papers have suggested many well established NR as well as PFE strategies however only few resources have suggested or mentioned the correlation between them. This paper reviews best approaches of the NR and the PFE with detailed explanation on the suggested correlation. This finding may suggest relevant strategies of the PFE development. With the help of knowledge based reasoning, computational approaches and algorithms, we present the correlation study between the NR and the PFE that can be useful for the development and enhancement of other existing PFE.

  14. University of Regina researchers complete milestone in major international

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

    physics project at JLab (University of Regina) | Jefferson Lab researchers complete milestone in major international physics project at JLab (University of Regina) External Link: http://www.uregina.ca/external/communications/releases/current/nr-03232012.html By jlab_admin on Fri, 2012-03-23

  15. The improvement in functional characteristics of eco-friendly composites made of natural rubber and cellulose

    SciTech Connect (OSTI)

    Araki, Kunihiro; Kaneko, Shonosuke; Matsumoto, Koki; Tanaka, Tatsuya; Arao, Yoshihiko; Nagatani, Asahiro

    2015-05-22

    We investigated the efficient use of cellulose to resolve the problem of the depletion of fossil resources. In this study, as the biomass material, the green composite based on natural rubber (NR) and the flake-shaped cellulose particles (FSCP) was produced. In order to further improvement of functional characteristics, epoxidized natural rubber (ENR) was also used instead of NR. The FSCP were produced by mechanical milling in a planetary ball mill with a grinding aid as a cellulose aggregation inhibitor. Moreover, talc and mica particles were used to compare with FSCP. NR and ENR was mixed with vulcanizing agents and then each filler was added to NR compound in an internal mixer. The vulcanizing agents are as follows: stearic acid, zinc oxide, sulfur, and vulcanization accelerator. The functionalities of the composites were evaluated by a vibration-damping experiment and a gas permeability experiment. As a result, we found that FSCP filler has effects similar to (or more than) inorganic filler in vibration-damping and O{sub 2} barrier properties. And then, vibration- damping and O{sub 2} barrier properties of the composite including FSCP was increased with use of ENR. In particular, we found that ENR-50 composite containing 50 phr FSCP has three times as high vibration-damping property as ENR-50 without FSCP.

  16. Blunt Trauma Performance of Fabric Systems Utilizing Natural Rubber Coated High Strength Fabrics

    SciTech Connect (OSTI)

    Ahmad, M. R.; Ahmad, W. Y. W.; Samsuri, A.; Salleh, J.; Abidin, M. H.

    2010-03-11

    The blunt trauma performance of fabric systems against 9 mm bullets is reported. Three shots were fired at each fabric system with impact velocity of 367+-9 m/s and the depth of indentation on the modeling clay backing was measured. The results showed that 18-layer and 21-layer all-neat fabric systems failed the blunt trauma test. However, fabric systems with natural rubber (NR) latex coated fabric layers gave lower blunt trauma of between 25-32 mm indentation depths. Deformations on the neat fabrics upon impact were identified as broken yarns, yarn stretching and yarn pull-out. Deflections of the neat fabrics were more localised. For the NR latex coated fabric layers, no significant deformation can be observed except for peeled-off regions of the NR latex film at the back surface of the last layer. From the study, it can be said that the NR latex coated fabric layers were effective in reducing the blunt trauma of fabric systems.

  17. NUCLEAR REGULATOR%'-C~fiMls6N REGION I

    Office of Legacy Management (LM)

    jNrTED ST&ye I ) r P, NUCLEAR REGULATOR%'-CfiMls6N REGION I 63I PIIRK AVENUE ... Repcr; Number 43-X6691-01 U.S. NUCLEAR ZGULATORY COMMISSION 3FFiCE OF IXS? ...

  18. Analysis of biosurfaces by neutron reflectometry: From simple to complex interfaces

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

    Junghans, Ann; Watkins, Erik B.; Barker, Robert D.; Singh, Saurabh; Waltman, Mary Jo; Smith, Hillary L.; Pocivavsek, Luka; Majewski, Jaroslaw

    2015-03-01

    Because of its high sensitivity for light elements and the scattering contrast manipulation via isotopic substitutions, neutron reflectometry (NR) is an excellent tool for studying the structure of soft-condensed material. These materials include model biophysical systems as well as in situ living tissue at the solid–liquid interface. The penetrability of neutrons makes NR suitable for probing thin films with thicknesses of 5–5000 Å at various buried, for example, solid–liquid, interfaces [J. Daillant and A. Gibaud, Lect. Notes Phys. 770, 133 (2009); G. Fragneto-Cusani, J. Phys.: Condens. Matter 13, 4973 (2001); J. Penfold, Curr. Opin. Colloid Interface Sci. 7, 139 (2002)].more » Over the past two decades, NR has evolved to become a key tool in the characterization of biological and biomimetic thin films. Highlighted In the current report are some of the authors' recent accomplishments in utilizing NR to study highly complex systems, including in-situ experiments. Such studies will result in a much better understanding of complex biological problems, have significant medical impact by suggesting innovative treatment, and advance the development of highly functionalized biomimetic materials.« less

  19. DOE/NV/11718-594

    National Nuclear Security Administration (NNSA)

    ... 231 FRENCH, N.R., C.D. JORGENSEN, M.H. SMITH, and B.G. MAZA. 1971. Comparison of Some ... E.P., T.E. HUXMAN, M.E. LOIK, and S.D. SMITH. 2000. Effects of extreme high ...

  20. Title Geographic Distribution. Eumeces gilberti Rubricaudatus...

    National Nuclear Security Administration (NNSA)

    RL 10,0.3 km E ofCo.RoadDD(Sec.33,T52N.R26W).16July 1989. F. E. Blake & D. D. Smith. ... Conserv. Publ., 368 pp.). Submitted by DONALD D. SMITH, Divi- sion of Allergy & ...

  1. Collective electronic behaviors of laterally heterostructured armchair MoS{sub 2}-NbS{sub 2} nanoribbons

    SciTech Connect (OSTI)

    Wu, Nannan; Zhou, Wenzhe; Zou, Hui; Chen, Yu; Yang, Zhixiong; Xiong, Xiang; Ouyang, Fangping

    2015-08-28

    Based on density functional theory, we have investigated the electronic properties of molybdenum disulfide-niobium disulfide hybrid nanoribbons (MoS{sub 2}-NbS{sub 2} NRs). It is found that the MoS{sub 2} edge, MoS{sub 2} center, NbS{sub 2} edge, and NbS{sub 2} center have distinct contributions to the collective electronic behaviors of MoS{sub 2}-NbS{sub 2} NRs. Its behavior, metallic or semiconductor, depends on whether the central area of NR contains NbS{sub 2} chain or not. This dependence has been also revealed in the electronic structures of NbS{sub 2}-MoS{sub 2}-NbS{sub 2} NR and MoS{sub 2}-NbS{sub 2}-MoS{sub 2} NR, of which the former is semiconductor and the latter is metal. In comparison with MoS{sub 2} NR of the same width, the hybrid has a different bandgap that was caused by the coupled effects between NbS{sub 2} edge and MoS{sub 2} edge. This fact makes MoS{sub 2}-NbS{sub 2} NRs a possible candidate for nanoelectronic devices based on heterostructured transition-metal dichalcogenide.

  2. Analysis of biosurfaces by neutron reflectometry: From simple to complex interfaces

    SciTech Connect (OSTI)

    Junghans, Ann; Watkins, Erik B.; Barker, Robert D.; Singh, Saurabh; Waltman, Mary Jo; Smith, Hillary L.; Pocivavsek, Luka; Majewski, Jaroslaw

    2015-03-01

    Because of its high sensitivity for light elements and the scattering contrast manipulation via isotopic substitutions, neutron reflectometry (NR) is an excellent tool for studying the structure of soft-condensed material. These materials include model biophysical systems as well as in situ living tissue at the solid–liquid interface. The penetrability of neutrons makes NR suitable for probing thin films with thicknesses of 5–5000 Å at various buried, for example, solid–liquid, interfaces [J. Daillant and A. Gibaud, Lect. Notes Phys. 770, 133 (2009); G. Fragneto-Cusani, J. Phys.: Condens. Matter 13, 4973 (2001); J. Penfold, Curr. Opin. Colloid Interface Sci. 7, 139 (2002)]. Over the past two decades, NR has evolved to become a key tool in the characterization of biological and biomimetic thin films. Highlighted In the current report are some of the authors' recent accomplishments in utilizing NR to study highly complex systems, including in-situ experiments. Such studies will result in a much better understanding of complex biological problems, have significant medical impact by suggesting innovative treatment, and advance the development of highly functionalized biomimetic materials.

  3. Participants: Judith Holm, DOE-AL Markus Popa, RW-44 Betty Nolan...

    Office of Environmental Management (EM)

    Judith Holm, DOE-AL Markus Popa, RW-44 Betty Nolan, DOE-HQ-CI Dave Crose, IN-MWCSG Ray English, DOE-NR Greg Sahd, DOE-CAO-WIPP Fred Butterfield, DOE-HQ-EM-22 Audrey Adamson, UETC-...

  4. SU-D-18C-01: A Novel 4D-MRI Technology Based On K-Space Retrospective Sorting

    SciTech Connect (OSTI)

    Liu, Y; Yin, F; Cai, J

    2014-06-01

    Purpose: Current 4D-MRI techniques lack sufficient temporal/spatial resolution and consistent tumor contrast. To overcome these limitations, this study presents the development and initial evaluation of an entirely new framework of 4D-MRI based on k-space retrospective sorting. Methods: An important challenge of the proposed technique is to determine the number of repeated scans(NR) required to obtain sufficient k-space data for 4D-MRI. To do that, simulations using 29 cancer patients' respiratory profiles were performed to derive the relationship between data acquisition completeness(Cp) and NR, also relationship between NR(Cp=95%) and the following factors: total slice(NS), respiratory phase bin length(Lb), frame rate(fr), resolution(R) and image acquisition starting-phase(P0). To evaluate our technique, a computer simulation study on a 4D digital human phantom (XCAT) were conducted with regular breathing (fr=0.5Hz; R=256256). A 2D echo planer imaging(EPI) MRI sequence were assumed to acquire raw k-space data, with respiratory signal and acquisition time for each k-space data line recorded simultaneously. K-space data was re-sorted based on respiratory phases. To evaluate 4D-MRI image quality, tumor trajectories were measured and compared with the input signal. Mean relative amplitude difference(D) and cross-correlation coefficient(CC) are calculated. Finally, phase-sharing sliding window technique was applied to investigate the feasibility of generating ultra-fast 4D-MRI. Result: Cp increased with NR(Cp=100*[1-exp(-0.19*NR)], when NS=30, Lb=100%/6). NR(Cp=95%) was inversely-proportional to Lb (r=0.97), but independent of other factors. 4D-MRI on XCAT demonstrated highly accurate motion information (D=0.67%, CC=0.996) with much less artifacts than those on image-based sorting 4D-MRI. Ultra-fast 4D-MRI with an apparent temporal resolution of 10 frames/second was reconstructed using the phase-sharing sliding window technique. Conclusions: A novel 4D-MRI technology

  5. Experimental verification of epsilon-near-zero plasmon polariton modes in degenerately doped semiconductor nanolayers

    SciTech Connect (OSTI)

    Campione, Salvatore; Kim, Iltai; de Ceglia, Domenico; Keeler, Gordon A.; Luk, Ting S.

    2016-01-01

    Here, we investigate optical polariton modes supported by subwavelength-thick degenerately doped semiconductor nanolayers (e.g. indium tin oxide) on glass in the epsilon-near-zero (ENZ) regime. The dispersions of the radiative (R, on the left of the light line) and non-radiative (NR, on the right of the light line) ENZ polariton modes are experimentally measured and theoretically analyzed through the transfer matrix method and the complex-frequency/real-wavenumber analysis, which are in remarkable agreement. We observe directional near-perfect absorption using the Kretschmann geometry for incidence conditions close to the NR-ENZ polariton mode dispersion. Along with field enhancement, this provides us with an unexplored pathway to enhance nonlinear optical processes and to open up directions for ultrafast, tunable thermal emission.

  6. Experimental verification of epsilon-near-zero plasmon polariton modes in degenerately doped semiconductor nanolayers

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

    Campione, Salvatore; Kim, Iltai; de Ceglia, Domenico; Keeler, Gordon A.; Luk, Ting S.

    2016-01-01

    Here, we investigate optical polariton modes supported by subwavelength-thick degenerately doped semiconductor nanolayers (e.g. indium tin oxide) on glass in the epsilon-near-zero (ENZ) regime. The dispersions of the radiative (R, on the left of the light line) and non-radiative (NR, on the right of the light line) ENZ polariton modes are experimentally measured and theoretically analyzed through the transfer matrix method and the complex-frequency/real-wavenumber analysis, which are in remarkable agreement. We observe directional near-perfect absorption using the Kretschmann geometry for incidence conditions close to the NR-ENZ polariton mode dispersion. Along with field enhancement, this provides us with an unexplored pathwaymore » to enhance nonlinear optical processes and to open up directions for ultrafast, tunable thermal emission.« less

  7. Shippingport Station Decommissioning Project. Final project report

    SciTech Connect (OSTI)

    McKernan, M.L.

    1989-12-22

    The Shippingport Atomic Power Station was located on the Ohio River in Shippingport Borough (Beaver County), Pennsylvania, USA. The US Atomic Energy Commission (AEC) constructed the plant in the mid-1950s on a seven and half acre parcel of land leased from Duquesne Light Company (DLC). The purposes were to demonstrate and to develop Pressurized Water Recovery technology and to generate electricity. DLC operated the Shippingport plant under supervision of (the successor to AEC) the Department of Energy (DOE)-Naval Reactors (NR) until operations were terminated on October 1, 1982. NR concluded end-of-life testing and defueling in 1984 and transferred the Station`s responsibility to DOE Richland Operations Office (RL), Surplus Facility Management Program Office (SFMPO5) on September 5, 1984. SFMPO subsequently established the Shippingport Station Decommissioning Project and selected General Electric (GE) as the Decommissioning Operations Contractor. This report is intended to provide an overview of the Shippingport Station Decommissioning Project.

  8. Shippingport Station Decommissioning Project

    SciTech Connect (OSTI)

    McKernan, M.L.

    1989-12-22

    The Shippingport Atomic Power Station was located on the Ohio River in Shippingport Borough (Beaver County), Pennsylvania, USA. The US Atomic Energy Commission (AEC) constructed the plant in the mid-1950s on a seven and half acre parcel of land leased from Duquesne Light Company (DLC). The purposes were to demonstrate and to develop Pressurized Water Recovery technology and to generate electricity. DLC operated the Shippingport plant under supervision of (the successor to AEC) the Department of Energy (DOE)-Naval Reactors (NR) until operations were terminated on October 1, 1982. NR concluded end-of-life testing and defueling in 1984 and transferred the Station's responsibility to DOE Richland Operations Office (RL), Surplus Facility Management Program Office (SFMPO5) on September 5, 1984. SFMPO subsequently established the Shippingport Station Decommissioning Project and selected General Electric (GE) as the Decommissioning Operations Contractor. This report is intended to provide an overview of the Shippingport Station Decommissioning Project.

  9. Microsoft Word - Action Plan Appendix B as of 02-25-2014

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

    B Listing of Treatment, Storage, and Disposal Groups/Units (sheet 1 of 19) B-1 Treatment, Storage, and Disposal Planned Action Group Number Group/Units Operable Unit (if applicable) Closure* Operating Permit D-1-1 100-D Ponds (120-D-1) 100-DR-1 X T-1-1 105-DR (122-DR-1) Sodium Fire Facility X D-1-2 1301-N/1325-N Liquid Waste Disposal Facilities 116-N-1 Crib 116-N-3 Crib 100-NR-1 X T-1-2 1324-N/1324-NA Liquid Waste Facilities 120-N-1 Pond 120-N-2 Neutralization Unit 100-NR-1 X T-1-3** 1706-KE

  10. On Womens Equality Day, we celebrate NNSA's talented Women in STEM |

    National Nuclear Security Administration (NNSA)

    National Nuclear Security Administration | (NNSA) On Womens Equality Day, we celebrate NNSA's talented Women in STEM Friday, August 26, 2016 - 4:07pm Related Topics lanl Lawrence Livermore National Laboratory llnl Los alamos national laboratory naval reactors nr pantex Pantex Plant Sandia National Laboratories Savannah river site snl srs STEM Y-12 National Security Complex y12 Related News Former Army Ranger wins Sandia-sponsored student of the year award NNSA engineer teaches young people

  11. Combined therapeutic potential of nuclear receptors with receptor tyrosine kinase inhibitors in lung cancer

    SciTech Connect (OSTI)

    Wairagu, Peninah M.; Park, Kwang Hwa; Kim, Jihye; Choi, Jong-Whan; Kim, Hyun-Won; Yeh, Byung-Il; Jung, Soon-Hee; Yong, Suk-Joong; Jeong, Yangsik

    2014-05-09

    Highlights: The 48 NR genes and 48 biological anti-cancer targets are profiled in paired-cells. Growth inhibition by NR ligands or TKIs is target receptor level-dependent. T0901317 with gefitinib/PHA665752 shows additive growth inhibition in lung cells. - Abstract: Cancer heterogeneity is a big hurdle in achieving complete cancer treatment, which has led to the emergence of combinational therapy. In this study, we investigated the potential use of nuclear receptor (NR) ligands for combinational therapy with other anti-cancer drugs. We first profiled all 48 NRs and 48 biological anti-cancer targets in four pairs of lung cell lines, where each pair was obtained from the same patient. Two sets of cell lines were normal and the corresponding tumor cell lines while the other two sets consisted of primary versus metastatic tumor cell lines. Analysis of the expression profile revealed 11 NRs and 15 cancer targets from the two pairs of normal versus tumor cell lines, and 9 NRs and 9 cancer targets from the primary versus metastatic tumor cell lines had distinct expression patterns in each category. Finally, the evaluation of nuclear receptor ligand T0901317 for liver X receptor (LXR) demonstrated its combined therapeutic potential with tyrosine kinase inhibitors. The combined treatment of cMET inhibitor PHA665752 or EGFR inhibitor gefitinib with T0901317 showed additive growth inhibition in both H2073 and H1993 cells. Mechanistically, the combined treatment suppressed cell cycle progression by inhibiting cyclinD1 and cyclinB expression. Taken together, this study provides insight into the potential use of NR ligands in combined therapeutics with other biological anti-cancer drugs.

  12. EIS-0350-S1: Supplemental Environmental Impact Statement for the Nuclear Facility Portion of the Chemistry and Metallurgy Research Building Replacement Project at Los Alamos National Laboratory, New Mexico

    Office of Energy Efficiency and Renewable Energy (EERE)

    This Supplemental EIS evaluates the completion of the Chemistry and Metallurgy Research Building Replacement (CMRR) Project, which consists of constructing the nuclear facility portion (CMRR-NF) at Los Alamos National Laboratory (LANL). The CMRR Project provides the analytical chemistry and materials characterization capabilities currently or previously performed in the existing Chemistry and Metallurgy Research (CMR) Building. Because of recent detailed site geotechnical investigations, certain aspects of the CMRR-NR project have changed resulting in change to the environmental impacts.

  13. On the Path to SunShot: The Environmental and Public Health Benefits of Achieving High Penetrations of Solar Energy in the United States

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

    National Nuclear Security Administration | (NNSA) On Womens Equality Day, we celebrate NNSA's talented Women in STEM Friday, August 26, 2016 - 4:07pm Related Topics lanl Lawrence Livermore National Laboratory llnl Los alamos national laboratory naval reactors nr pantex Pantex Plant Sandia National Laboratories Savannah river site snl srs STEM Y-12 National Security Complex y12 Related News Former Army Ranger wins Sandia-sponsored student of the year award NNSA engineer teaches young people

  14. 1

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

    the Cloud Droplet Effective Radius Profile in Stratiform Clouds M. Ovtchinnikov and Y. L. Kogan Cooperative Institute for Mesoscale Meteorological Studies Norman, Oklahoma Introduction The droplet effective radius r e defined as ( ) ( ) ∫ ∫ = dr r n r dr r n r r 2 3 e , (1) where n(r) is the droplet size distribution (DSD). r e is an important parameter in cloud-radiation parameterizations in mesoscale and general circulation models. Although it is recognized that the vertical variations of

  15. Long-term measurements of submicrometer aerosol chemistry at the Southern Great Plains (SGP) using an Aerosol Chemical Speciation Monitor (ACSM)

    SciTech Connect (OSTI)

    Parworth, Caroline; Tilp, Alison; Fast, Jerome; Mei, Fan; Shippert, Tim; Sivaraman, Chitra; Watson, Thomas; Zhang, Qi

    2015-04-01

    In this study the long-term trends of non-refractory submicrometer aerosol (NR-PM1) composition and mass concentration measured by an Aerosol Chemical Speciation Monitor (ACSM) at the Atmospheric Radiation Measurement (ARM) program's Southern Great Plains (SGP) site are discussed. NR-PM1 data was recorded at ~30 min intervals over a period of 19 months between November 2010 and June 2012. Positive Matrix Factorization (PMF) was performed on the measured organic mass spectral matrix using a rolling window technique to derive factors associated with distinct sources, evolution processes, and physiochemical properties. The rolling window approach also allows us to capture the dynamic variations of the chemical properties in the organic aerosol (OA) factors over time. Three OA factors were obtained including two oxygenated OA (OOA) factors, differing in degrees of oxidation, and a biomass burning OA (BBOA) factor. Back trajectory analyses were performed to investigate possible sources of major NR-PM1 species at the SGP site. Organics dominated NR-PM1 mass concentration for the majority of the study with the exception of winter, when ammonium nitrate increases due to transport of precursor species from surrounding urban and agricultural areas and also due to cooler temperatures. Sulfate mass concentrations have little seasonal variation with mixed regional and local sources. In the spring BBOA emissions increase and are mainly associated with local fires. Isoprene and carbon monoxide emission rates were obtained by the Model of Emissions of Gases and Aerosols from Nature (MEGAN) and the 2011 U.S. National Emissions Inventory to represent the spatial distribution of biogenic and anthropogenic sources, respectively. The combined spatial distribution of isoprene emissions and air mass trajectories suggest that biogenic emissions from the southeast contribute to SOA formation at the SGP site during the summer.

  16. December 21

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

    December 2010 December 09, 2010 Small Business Contracts Surge from the Department of Energy's Work in Oak Ridge Microsoft Office document icon NR-12

    December 2014 Y-12, UT sign agreement to continue, expand collaborative work Monday, December 22, 2014 - 11:37am A Memorandum of Understanding was recently penned by Consolidated Nuclear Security and the University of Tennessee, Knoxville, will expand existing collaborations while making the country safer and more secure. CNS and the university

  17. Distinguished Student Awards Paul Asare Agyapong, NEN-3, UGS, Technical

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

    Distinguished Student Awards Paul Asare Agyapong, NEN-3, UGS, Technical Ty Brooks, C-IIAC, UGS, Technical Amy Jordan, EES-16, GRA, Technical Heather Hughes, IRM-CAS, GRA, Administrative Alison Tamasi, C-NR, GRA, Technical Andrea Vargas, ITPMO, GRA, Administrative Naomi Wasserman, EES-14, UGS, Technical Distinguished Mentor Awards Joysree Aubrey, IAT-DO Alina Deshpande, DSA-3 Andrew Nelson, MST-7 Robert Robey, XCP-2 Information Technology Cody Jackson, "Evaluating Cyber Security Policies

  18. Long-term Measurements of Submicrometer Aerosol Chemistry at the Southern Great Plains (SGP) Using an Aerosol Chemical Speciation Monitor (ACSM)

    SciTech Connect (OSTI)

    Parworth, Caroline; Fast, Jerome D.; Mei, Fan; Shippert, Timothy R.; Sivaraman, Chitra; Tilp, Alison; Watson, Thomas; Zhang, Qi

    2015-04-01

    In this study the long-term trends of non-refractory submicrometer aerosol (NR-PM1) composition and mass concentration measured by an Aerosol Chemical Speciation Monitor (ACSM) at the U.S. Department of Energy’s Southern Great Plains (SGP) site are discussed. Over the period of 19 months (Nov. 20, 2010 – June 2012) highly time resolved (~30 min.) NR-PM1 data was recorded. Using this dataset the value-added product (VAP) of deriving organic aerosol components (OACOMP) is introduced. With this VAP, multivariate analysis of the measured organic mass spectral matrix can be performed on long term data to return organic aerosol (OA) factors that are associated with distinct sources, evolution processes, and physiochemical properties. Three factors were obtained from this VAP including two oxygenated OA (OOA) factors, differing in degrees of oxidation, and a biomass burning OA (BBOA) factor. Back trajectory analyses were performed to investigate possible sources of major NR-PM1 species at the SGP site. Organics dominated NR-PM1 mass concentration for the majority of the study with the exception of winter, when nitrate increased due to transport of precursor species from surrounding urban and agricultural areas and also due to cooler temperatures. Sulfate mass concentrations showed little seasonal variation with mixed regional and local sources. In the spring BBOA emissions increased and were mainly associated with local fires. Isoprene and carbon monoxide emission rates were computed by the Model of Emissions of Gases and Aerosols from Nature (MEGAN) to represent the spatial distribution of biogenic and anthropogenic sources, respectively. From this model there is evidence to support that biogenic emissions from the southeast contribute to SOA formation at the SGP site during the summer.

  19. 1. INSERT ABOVE, CLASSIFICATION LEVEL, UNCLASSIFIED, OR OFFICIAL USE ONLY

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

    (03-98) (Exception to SF 14, Approved by NARS, June 1978) 1. INSERT ABOVE, CLASSIFICATION LEVEL, UNCLASSIFIED, OR OFFICIAL USE ONLY 4. PRECEDENCE DESIGNATION ("X" appropriate box): 6. FROM 9. TO COMMUNICATION CENTER ROUTING U.S. DEPARTMENT OF ENERGY TELECOMMUNICATION MESSAGE (See reverse side for Instructions) 5. TYPE OF MESSAGE FOR COMMUNICATION CENTER USE MESSAGE IDENTIFICATION NR: DTG: Z YES 2. MESSAGE CONTAINS WEAPON DATA? ("X" appropriate box. Message Center will not

  20. Reversible Electrocatalytic Production and Oxidation of Hydrogen at Low Overpotentials by a Functional Hydrogenase Mimic

    SciTech Connect (OSTI)

    Smith, Stuart E.; Yang, Jenny Y.; DuBois, Daniel L.; Bullock, Morris

    2012-03-26

    A new bis(diphosphine) nickel(II) complex, [Ni(PPh2NR2)2](BF4)2, 1, (R = CH2CH2OCH3) is described. A {Delta}G{sup o} of 0.84 kcal/mol{sup -1} for hydrogen addition for this complex was calculated from the experimentally determined equilibrium constant. This complex displays reversible electrocatalytic activity for hydrogen production and oxidation at low overpotentials, a characteristic most commonly associated with hydrogenase enzymes.

  1. Assessment Report: OAS-V-15-01 | Department of Energy

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

    1 Assessment Report: OAS-V-15-01 November 25, 2014 Assessment of Audit Coverage of Cost Allowability for Bechtel Marine Propulsion Corporation During October 1, 2012, Through September 30, 2013, Under Department of Energy Contract No. DE-NR0000031 Bechtel Marine Propulsion Corporation (BMPC) was established solely to operate the Naval Nuclear Propulsion Program, which is a joint Navy-Department of Energy program responsible for the research, design, construction, operation, and maintenance of

  2. DRAFT July 21 , 2008

    Office of Environmental Management (EM)

    Assessment Report Assessment of Audit Coverage of Cost Allowability for Bechtel Marine Propulsion Corporation During October 1, 2012, Through September 30, 2013, Under Department of Energy Contract No. DE-NR0000031 OAS-V-15-01 November 2014 U.S. Department of Energy Office of Inspector General Office of Audits and Inspections Department of Energy Washington, DC 20585 November 25, 2014 MEMORANDUM FOR THE MANAGER, NAVAL REACTORS LABORATORY FIELD OFFICE FROM: Jack Rouch, Director Central Audits

  3. Long-term measurements of submicrometer aerosol chemistry at the Southern Great Plains (SGP) using an Aerosol Chemical Speciation Monitor (ACSM)

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

    Parworth, Caroline; Tilp, Alison; Fast, Jerome; Mei, Fan; Shippert, Tim; Sivaraman, Chitra; Watson, Thomas; Zhang, Qi

    2015-04-01

    In this study the long-term trends of non-refractory submicrometer aerosol (NR-PM1) composition and mass concentration measured by an Aerosol Chemical Speciation Monitor (ACSM) at the Atmospheric Radiation Measurement (ARM) program's Southern Great Plains (SGP) site are discussed. NR-PM1 data was recorded at ~30 min intervals over a period of 19 months between November 2010 and June 2012. Positive Matrix Factorization (PMF) was performed on the measured organic mass spectral matrix using a rolling window technique to derive factors associated with distinct sources, evolution processes, and physiochemical properties. The rolling window approach also allows us to capture the dynamic variations ofmore » the chemical properties in the organic aerosol (OA) factors over time. Three OA factors were obtained including two oxygenated OA (OOA) factors, differing in degrees of oxidation, and a biomass burning OA (BBOA) factor. Back trajectory analyses were performed to investigate possible sources of major NR-PM1 species at the SGP site. Organics dominated NR-PM1 mass concentration for the majority of the study with the exception of winter, when ammonium nitrate increases due to transport of precursor species from surrounding urban and agricultural areas and also due to cooler temperatures. Sulfate mass concentrations have little seasonal variation with mixed regional and local sources. In the spring BBOA emissions increase and are mainly associated with local fires. Isoprene and carbon monoxide emission rates were obtained by the Model of Emissions of Gases and Aerosols from Nature (MEGAN) and the 2011 U.S. National Emissions Inventory to represent the spatial distribution of biogenic and anthropogenic sources, respectively. The combined spatial distribution of isoprene emissions and air mass trajectories suggest that biogenic emissions from the southeast contribute to SOA formation at the SGP site during the summer.« less

  4. A unique nuclear receptor direct repeat 17 (DR17) is present within the upstream region of Schistosoma mansoni female-specific p14 gene

    SciTech Connect (OSTI)

    Fantappie, Marcelo Rosado Furtado, Daniel Rodrigues; Rumjanek, Franklin David; LoVerde, Philip T.

    2008-07-11

    The eggs produced by sexually mature female Schistosma mansoni are responsible for the pathogenesis of the disease. The eggshell precursor gene p14 is expressed only in the vitelline cells of sexually mature female worms in response to a yet unidentified male stimulus. Herein, we report the identification of a novel nuclear receptor response element in the upstream region of the p14 gene. This element contains the canonical hexameric DNA core motif, 5'-PuGGTCA, composed of an atypically spaced direct repeat (DR17). Schistosome nuclear receptors SmRXR1 and SmNR1 specifically bound to the p14-DR17 element as a heterodimer. SmRXR1, but not SmNR1, bound to the motif as a monomer. Introduction of mutations in the TCA core sequence completely abolished the binding by SmRXR1/SmNR1 heterodimer. This finding supports our hypothesis that the expression of Schistosoma mansonip14 gene is regulated through the nuclear receptor signaling pathway.

  5. Model Investigation of Temperature and Concentration Dependent Luminescence of Erbium-doped Tellurite Glasses

    SciTech Connect (OSTI)

    Ghoshal, S. K.; Sahar, M. R.; Rohani, M. S.; Tewari, H. S.

    2011-11-22

    Improving the up-conversion efficiency is the key issue in tellurite glasses. The quantum efficiency, radiative transition rate and lifetimes of excited states are greatly influenced by the optical properties of the host material, ligand field, multiphonon relaxation processes, impurities, temperature and concentration of erbium ions. We develop a comprehensive 4-level model to examine the radiative and nonradiative (NR) decay processes for the green ({sup 4}S{sub 3/2}{yields}{sup 4}I{sub 15/2}) and red ({sup 4}F{sub 9/2}{yields}{sup 4}I{sub 15/2}) emission over a temperature range of (10-340 K) and concentration range of (0.1-4.5 mol.%). Concentration dependent enhancement and thermal quenching of efficiency for up-conversion is investigated using the derived rate equations. These features are attributed to the NR energy transfer processes, trapped impurity effects, and thermal assisted hopping. The unusual nature of temperature and concentration dependent quenching effects for green and red emission is queries for further investigations. It is further suggested that to achieve higher infrared to visible up-converted efficiency in tellurite glasses the NR channels for energy and charge transfer by phonon and impurity mediated process has to be minimized. Our results on pump power dependent emission intensity, quantum efficiency, luminescence intensity, radiative lifetimes, and transition probabilities are in conformity with other experimental findings.

  6. A novel approach to determine post mortem interval using neutron radiography

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

    Bilheux, Hassina Z.; Cekanova, Maria; Vass, Arpad Alexander; Nichols, Trent L.; Bilheux, Jean -Christophe; Donnell, Robert; Finocchiaro, Vincenzo

    2015-03-06

    In this study, neutron radiography (NR) is used non-destructively to measure changes in hydrogen (H) content in decaying tissues as a mean to estimate post-mortem invertal (PMI). After death, tissue undergoes sequential changes consisting of organic and inorganic phase variations, as well as a gradual reduction of tissue water content. H is the primary contributor to NR contrast in biological specimens because (1) it is the most abundant element in biological tissues and (2) its nucleus scatter thermal and cold neutrons more strongly than any other atomic nucleus. These contrast differences can be advantageous in a forensic context to determinemore » small changes in hydrogen concentrations. Dog cadavers were used as a model for human cadavers. Canine tissues and cadavers were exposed to controlled (laboratory settings) and uncontrolled (University of Tennessee Anthropology Research Facility) environmental conditions during putefraction, respectively. Neutron radiographs were supplemented with photographs and histology data to assess the decomposition stage of cadavers. Results demonstrated that the increase in neutron transmission likely corresponded to a decrease in hydrogen content in the tissue, which was correlated with the time of decay of the tissue. Tissues depleted in hydrogen are brighter in the neutron transmission radiographs of skeletal muscles, lung, and bone, under controlled conditions. Over a period of 10 days, changes in neutron transmission through lung and muscle were found to be higher than bone by 8.3%, 7.0 %, and 2.0 %, respectively. Estimation of the PMI was calculated from a natural logarithmic fitting of the NR data. Under controlled conditions, estimation of the PMI was 70% and 63.9 % accurate for bone and lung tissues, while being 1.4% accurate for muscle tissue. All results underestimated the true PMI. In conclusion, neutron radiography can be used for detection of hydrogen changes in decaying tissues to estimate PMI.« less

  7. Computer-aided breast MR image feature analysis for prediction of tumor response to chemotherapy

    SciTech Connect (OSTI)

    Aghaei, Faranak; Tan, Maxine; Liu, Hong; Zheng, Bin; Hollingsworth, Alan B.; Qian, Wei

    2015-11-15

    Purpose: To identify a new clinical marker based on quantitative kinetic image features analysis and assess its feasibility to predict tumor response to neoadjuvant chemotherapy. Methods: The authors assembled a dataset involving breast MR images acquired from 68 cancer patients before undergoing neoadjuvant chemotherapy. Among them, 25 patients had complete response (CR) and 43 had partial and nonresponse (NR) to chemotherapy based on the response evaluation criteria in solid tumors. The authors developed a computer-aided detection scheme to segment breast areas and tumors depicted on the breast MR images and computed a total of 39 kinetic image features from both tumor and background parenchymal enhancement regions. The authors then applied and tested two approaches to classify between CR and NR cases. The first one analyzed each individual feature and applied a simple feature fusion method that combines classification results from multiple features. The second approach tested an attribute selected classifier that integrates an artificial neural network (ANN) with a wrapper subset evaluator, which was optimized using a leave-one-case-out validation method. Results: In the pool of 39 features, 10 yielded relatively higher classification performance with the areas under receiver operating characteristic curves (AUCs) ranging from 0.61 to 0.78 to classify between CR and NR cases. Using a feature fusion method, the maximum AUC = 0.85 ± 0.05. Using the ANN-based classifier, AUC value significantly increased to 0.96 ± 0.03 (p < 0.01). Conclusions: This study demonstrated that quantitative analysis of kinetic image features computed from breast MR images acquired prechemotherapy has potential to generate a useful clinical marker in predicting tumor response to chemotherapy.

  8. A novel approach to determine post mortem interval using neutron radiography

    SciTech Connect (OSTI)

    Bilheux, Hassina Z; Cekanova, Maria; Vass, Arpad Alexander; Nichols, Trent L; Bilheux, Jean-Christophe; Donnell, Robert; Finocchiaro, Vincenzo

    2015-01-01

    In this study, neutron radiography (NR) is used non-destructively to measure changes in hydrogen (H) content in decaying tissues as a mean to estimate post-mortem invertal (PMI). After death, tissue undergoes sequential changes consisting of organic and inorganic phase variations, as well as a gradual reduction of tissue water content. H is the primary contributor to NR contrast in biological specimens because (1) it is the most abundant element in biological tissues and (2) its nucleus scatter thermal and cold neutrons more strongly than any other atomic nucleus. These contrast differences can be advantageous in a forensic context to determine small changes in hydrogen concentrations. Dog cadavers were used as a model for human cadavers. Canine tissues and cadavers were exposed to controlled (laboratory settings) and uncontrolled (University of Tennessee Anthropology Research Facility) environmental conditions during putefraction, respectively. Neutron radiographs were supplemented with photographs and histology data to assess the decomposition stage of cadavers. Results demonstrated that the increase in neutron transmission likely corresponded to a decrease in hydrogen content in the tissue, which was correlated with the time of decay of the tissue. Tissues depleted in hydrogen are brighter in the neutron transmission radiographs of skeletal muscles, lung, and bone, under controlled conditions. Over a period of 10 days, changes in neutron transmission through lung and muscle were found to be higher than bone by 8.3%, 7.0 %, and 2.0 %, respectively. Estimation of the PMI was calculated from a natural logarithmic fitting of the NR data. Under controlled conditions, estimation of the PMI was 70% and 63.9 % accurate for bone and lung tissues, while being 1.4% accurate for muscle tissue. All results underestimated the true PMI. In conclusion, neutron radiography can be used for detection of hydrogen changes in decaying tissues to estimate PMI.

  9. Nuclear Navy Turns 50 | National Nuclear Security Administration | (NNSA)

    National Nuclear Security Administration (NNSA)

    Navy Turns 50 Nuclear Navy Turns 50 Washington, DC Crew members of the U.S.S. Enterprise, the first nuclear-powered aircraft carrier, spell out NR-50! To commemorate the 50th anniversary of the Nuclear Navy. Admiral Hyman G. Rickover formed the Nuclear Power Branch within the Navy's Bureau of Ships in August 1948. The Office of Naval Reactors is an integrated organization of DOE and the Department of Navy. The Enterprise's eight A2W nuclear reactors were developed by Bettis Laboratory, with the

  10. AMENDMENT OF SOLICITATION/MODIFICATION OF CONTRACT I~' CONTRACT

    National Nuclear Security Administration (NNSA)

    I~' CONTRACT ID CODE IPAGE OF PAGES DE-NR0000031 . 1 I 1 2. AMENDMENT/MODIFICATION NO. 3. EFFECTIVE DATE 4. REQUISITION/PURCHASE REQ. NO. I 5. PROJECT NO. (If applicable) 003 Same as Block 16G . N~ 6. ISSUED BV CODE 7. ADMINISTERED BV (If other than Item 6) Code I U.S. Department of Energy Pittsburgh Naval Reactors Office P.O. Box 109 West Mifflin, PA 15122-0109 8. NAME AND ADDRESS OF CONTRACTOR (No. street, county, State and ZIP Code) (*...) 9.A. AMENDMENT OF SOLICITATION NO. Bechtel Marine

  11. Microsoft Word - FY12 Fee Des.doc

    National Nuclear Security Administration (NNSA)

    NR0000031 copies of the amendment; (b) By acknowledging receipt of this amendment on each copy of the offer submitted; or (c) By separate letter or telegram which includes a reference to the solicitation and amendment numbers. FAILURE OF YOUR ACKNOWLEDGEMENT TO BE RECEIVED AT THE PLACE DESIGNATED FOR THE RECEIPT OF OFFERS PRIOR TO THE HOUR AND DATE SPECIFIED MAY RESULT IN REJECTION OF YOUR OFFER. If by virtue of this amendment you desire to change an offer already submitted, such change may be

  12. Microsoft Word - M002-SF30.doc

    National Nuclear Security Administration (NNSA)

    I:.CONTRACT ID CODE IPAGE OF PAGES DE-NR0000031 1 I 27 2. AMENDMENT/MODIFICATION NO. 3. EFFECTIVE DATE 4. REQUISITION/PURCHASE REQ. NO. 15. PROJECT NO. (II app/icable) 002 Same as Block 16C N/A 6. ISSUED BY CODE 7. ADMINISTERED BY (If other than Item 6) Code I U.S. Department of Energy Pittsburgh Naval Reactors Office P.O. Box 109 West Mifflin, PA 15122-0109 8. NAME AND ADDRESS OF CONTRACTOR (No. slreet, county, State and ZIP Code) ..J.:l 9.A. AMENDMENT OF SOLICITATION NO. Bechtel Marine

  13. EQ3/6 A Software Package for Geochemical Modeling

    Energy Science and Technology Software Center (OSTI)

    2010-12-13

    EQ3/6 is a software package for modeling geochemical interactions between aqueous solution, solids, and gases, following principles of chemical thermodynamics and chemical kinetics. It is useful for interpreting aqueiou solution chemical compositions and for calculating the consequences of reaction of such solutions with minerals, other solids, and gases. It is designed to run in a command line environment. EQPT is a thermodynamic data file preprocessor. EQ3NR is a speciation-solubility code. EQ6 is a reaction pathmore » code.« less

  14. Fine golden rings: Tunable surface plasmon resonance from assembled nanorods in topological defects of liquid crystals

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

    Lee, Elaine; Xia, Yu; Ferrier, Jr., Robert C.; Kim, Hye -Na; Gharbi, Mohamed A.; Stebe, Kathleen J.; Kamien, Randall D.; Composto, Russell J.; Yang, Shu

    2016-02-08

    Unprecedented, reversible, and dynamic control over an assembly of gold nanorods dispersed in liquid crystals (LC) is demonstrated. The LC director field is dynamically tuned at the nanoscale using microscale ring confinement through the interplay of elastic energy at different temperatures, thus fine-tuning its core replacement energy to reversibly sequester nanoscale inclusions at the microscale. As a result, this leads to shifts of 100 nm or more in the surface plasmon resonance peak, an order of magnitude greater than any previous work with AuNR composites.

  15. Ecological

    Office of Legacy Management (LM)

    - Consequences of Nuclear Testing Amcl~itka isln,zd has a Iristory of disturbnnce by nroder~r matt, i,rclr~ding US. military operatio~ts on the isla~rd drrring Il'orld ll'nr % n~rterlnthrg the a~tder.qou~rd nuclear tests Nilrow nrrd Cannikin, for which preparation begntr in 1966. nlarry of the. terrestrial distarbnrrces resttlti,tg from ,taclear testing were superimposed o n scars remai~tirrg from the nrilitnry occt~pntiotz. Constrriction, road hirprouement, and the hlilrow an(/ Cnrrnikbt

  16. Microsoft Word - BLZhuikov_09_02_2014.docx

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

    Production o f m edical r adioisotopes i n R ussia a nd P rospective Isotope p rogram i n I nstitute o f N uclear R esearch. Dr. B oris L . Z huikov Laboratory o f R adioisotope C omplex, I NR, M oscow, R ussia Institute f or N uclear R esearch o f R ussian A cademy o f S cience ABSTRACT: Reactor and accelerator centers in Russia produce medical isotopes and develop prospective technologies. In the near future, we anticipate increased isotope production for use in nuclear medicine in Russia. T

  17. Nuclear fuel recycling in 4 minutes | Argonne National Laboratory

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

    Administration | (NNSA) Nuclear disarmament with a personal touch February 15, 2012 Team Led by Y-12 Site Office Employee Visits Russian girl Aided by U.S. Monitors File NR-01-12 Sofia safe | National Nuclear Security Administration | (NNSA)

    forensics, explained: NNSA analytic chemists help keep the world safe Thursday, February 25, 2016 - 2:46pm One of the gravest threats the world faces is the possibility that terrorists will acquire nuclear weapons or the necessary materials to

  18. Fibrous composites comprising carbon nanotubes and silica

    DOE Patents [OSTI]

    Peng, Huisheng; Zhu, Yuntian Theodore; Peterson, Dean E.; Jia, Quanxi

    2011-10-11

    Fibrous composite comprising a plurality of carbon nanotubes; and a silica-containing moiety having one of the structures: (SiO).sub.3Si--(CH.sub.2).sub.n--NR.sub.1R.sub.2) or (SiO).sub.3Si--(CH.sub.2).sub.n--NCO; where n is from 1 to 6, and R.sub.1 and R.sub.2 are each independently H, CH.sub.3, or C.sub.2H.sub.5.

  19. Quality Assurance Plan, N springs expedited response action

    SciTech Connect (OSTI)

    Jackson, G.J.

    1994-07-01

    This document is the Quality Assurance Plan (QAP) to be followed during the definitive design, construction, and operational phases for activities associated with the N Springs Expedited Response Action (ERA) for the 100-NR-2 Operable Unit (OU). Westinghouse Hanford Company (WHC) will comply with the US Department of Energy (DOE) Order 5700.6C, Quality Assurance (DOE 1989), and the US Environmental Protection Agency (EPA), EPA/530-SW-86-031, Technical Guidance Document: Construction Quality Assurance for Hazardous Waste Land Disposal Facilities (EPA 1986).

  20. ,=SIGR AKD PROL'UEim HISTORY OF

    Office of Legacy Management (LM)

    =SIGR AKD PROL'UEim HISTORY /----------. OF u. 9, coliTRAcT w-74l2-FZG-1 Dcprtrnent of Energy Savannah R' ber Operations Of fii PCIBOXA Aiken. South Carolina 29801 B. I. du Pant de Neraure sad Company Alken, SC 2980s Dear Nr. Becheyars volume II, Design and Pmcurernurt Eistory of B&ford Engineer Work# and cliuton Sed-Worka, baa been reviewed for declssslficatim ln reapouae to a request fma 6. U. 0'lUs.r. xnltial revi& request was fa-aln L. ?. shal?nn&, AES, wl.ldngtoo, tq 6. n. O'

  1. Collection efficiency of the soot-particle aerosol mass spectrometer (SP-AMS) for internally mixed particulate black carbon

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

    Willis, M. D.; Lee, A. K. Y.; Onasch, T. B.; Fortner, E. C.; Williams, L. R.; Lambe, A. T.; Worsnop, D. R.; Abbatt, J. P. D.

    2014-12-18

    The soot-particle aerosol mass spectrometer (SP-AMS) uses an intra-cavity infrared laser to vaporize refractory black carbon (rBC) containing particles, making the particle beam–laser beam overlap critical in determining the collection efficiency (CE) for rBC and associated non-refractory particulate matter (NR-PM). This work evaluates the ability of the SP-AMS to quantify rBC and NR-PM mass in internally mixed particles with different thicknesses of organic coating. Using apparent relative ionization efficiencies for uncoated and thickly coated rBC particles, we report measurements of SP-AMS sensitivity to NR-PM and rBC, for Regal Black, the recommended particulate calibration material. Beam width probe (BWP) measurements aremore » used to illustrate an increase in sensitivity for highly coated particles due to narrowing of the particle beam, which enhances the CE of the SP-AMS by increasing the laser beam–particle beam overlap. Assuming complete overlap for thick coatings, we estimate CE for bare Regal Black particles of 0.6 ± 0.1, which suggests that previously measured SP-AMS sensitivities to Regal Black were underestimated by up to a factor of 2. The efficacy of the BWP measurements is highlighted by studies at a busy road in downtown Toronto and at a non-roadside location, which show particle beam widths similar to, but greater than that of bare Regal Black and coated Regal Black, respectively. Further BWP measurements at field locations will help to constrain the range of CE for fresh and aged rBC-containing particles. The ability of the SP-AMS to quantitatively assess the composition of internally mixed particles is validated through measurements of laboratory-generated organic coated particles, which demonstrate that the SP-AMS can quantify rBC and NR-PM over a wide range of particle compositions and rBC core sizes.« less

  2. Collection efficiency of the Soot-Particle Aerosol Mass Spectrometer (SP-AMS) for internally mixed particulate black carbon

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

    Willis, M. D.; Lee, A. K. Y.; Onasch, T. B.; Fortner, E. C.; Williams, L. R.; Lambe, A. T.; Worsnop, D. R.; Abbatt, J. P. D.

    2014-05-26

    The soot-particle aerosol mass spectrometer (SP-AMS) uses an intra-cavity infrared laser to vaporize refractory black carbon (rBC) containing particles, making the particle beam–laser beam overlap critical in determining the collection efficiency (CE) for rBC and associated non-refractory particulate matter (NR-PM). This work evaluates the ability of the SP-AMS to quantify rBC and NR-PM mass in internally mixed particles with different thicknesses of organic coating. Using apparent relative ionization efficiencies for uncoated and thickly coated rBC particles, we report measurements of SP-AMS sensitivity to NR-PM and rBC, for Regal Black, the recommended particulate calibration material. Beam width probe (BWP) measurements aremore » used to illustrate an increase in sensitivity for highly coated particles due to narrowing of the particle beam, which enhances the CE of the SP-AMS by increasing the laser beam–particle beam overlap. Assuming complete overlap for thick coatings, we estimate CE for bare Regal Black particles of 0.6 ± 0.1, which suggests that previously measured SP-AMS sensitivities to Regal Black were underestimated by up to a factor of two. The efficacy of the BWP measurements is highlighted by studies at a busy road in downtown Toronto and at a non-roadside location, which show particle beam widths similar to, but greater than that of bare Regal Black and coated Regal Black, respectively. Further BWP measurements at field locations will help to constrain the range of CE for fresh and aged rBC-containing particles. The ability of the SP-AMS to quantitatively assess the composition of internally mixed particles is validated through measurements of laboratory-generated organic coated particles, which demonstrate that the SP-AMS can quantify rBC and NR-PM over a wide range of particle compositions and rBC core sizes.« less

  3. Effects of fluid shear stress on polyelectrolyte multilayers by neutron scattering studies

    SciTech Connect (OSTI)

    Singh, Saurabh; Junghans, Ann; Watkins, Erik; Kapoor, Yash; Toomey, Ryan; Majewski, Jaroslaw

    2015-02-17

    The structure of layer-by-layer (LbL) deposited nanofilm coatings consists of alternating polyethylenimine (PEI) and polystyrenesulfonate (PSS) films deposited on a single crystal quartz substrate. LbL-deposited nanofilms were investigated by neutron reflectomery (NR) in contact with water in the static and fluid shear stress conditions. The fluid shear stress was applied through a laminar flow of the liquid parallel to the quartz/polymer interface in a custom-built solid–liquid interface cell. The scattering length density profiles obtained from NR results of these polyelectrolyte multilayers (PEM), measured under different shear conditions, showed proportional decrease of volume fraction of water hydrating the polymers. For the highest shear rate applied (ca. 6800 s–1) the water volume fraction decreased by approximately 7%. The decrease of the volume fraction of water was homogeneous through the thickness of the film. Since there were not any significant changes in the total polymer thickness, it resulted in negative osmotic pressures in the film. The PEM films were compared with the behavior of thin films of thermoresponsive poly(N-isopropylacrylamide) (pNIPAM) deposited via spin-coating. The PEM and pNIPAM differ in their interactions with water molecules, and they showed opposite behaviors under the fluid shear stress. In both cases the polymer hydration was reversible upon the restoration of static conditions. Furthermore, a theoretical explanation is given to explain this difference in the effect of shear on hydration of polymeric thin films.

  4. Geochemical Modeling Of Aqueous Systems

    Energy Science and Technology Software Center (OSTI)

    1995-09-07

    EQ3/6 is a software package for geochemical modeling of aqueous systems. This description pertains to version 7.2b. It addresses aqueous speciation, thermodynamic equilibrium, disequilibrium, and chemical kinetics. The major components of the package are EQ3NR, a speciation-solubility code, and EQ6 a reaction path code. EQ3NR is useful for analyzing groundwater chemistry data, calculating solubility limits, and determining whether certain reactions are in states of equilibrium or disequilibrium. It also initializes EQ6 calculations. EQ6 models themore » consequences of reacting an aqueous solution with a specified set of reactants (e.g., minerals or waste forms). It can also model fluid mixing and the effects of changes in temperature. Each of five supporting data files contain both standard state and activity coefficient-related data. Three support the use of the Davies or B-dot equations for the activity coefficients; the other two support the use of Pitzer''s equations. The temperature range of the thermodynamic data on the data files varies from 25 degrees C only to 0-300 degrees C.« less

  5. INDEPENDENT TECHNICAL ASSESSMENT OF MANAGEMENT OF STORMWATER AND WASTEWATER AT THE SEPARATIONS PROCESS RESEARCH UNIT (SPRU) DISPOSITION PROJECT, NEW YORK

    SciTech Connect (OSTI)

    Abitz, R.; Jackson, D.; Eddy-Dilek, C.

    2011-06-27

    The U.S. Department of Energy (DOE) is currently evaluating the water management procedures at the Separations Process Research Unit (SPRU). The facility has three issues related to water management that require technical assistance: (1) due to a excessive rainfall event in October, 2010, contaminated water collected in basements of G2 and H2 buildings. As a result of this event, the contractor has had to collect and dispose of water offsite; (2) The failure of a sump pump at a KAPL outfall resulted in a Notice of Violation issued by the New York State Department of Environment and Conservation (NYSDEC) and subsequent Consent Order. On-site water now requires treatment and off-site disposition; and (3) stormwater infiltration has resulted in Strontium-90 levels discharged to the storm drains that exceed NR standards. The contractor has indicated that water management at SPRU requires major staff resources (at least 50 persons). The purpose of this review is to determine if the contractor's technical approach warrants the large number of staff resources and to ensure that the technical approach is compliant and in accordance with federal, state and NR requirements.

  6. Design, Construction, and Initial Test of High Spatial Resolution Thermometry Arrays for Detection of Surface Temperature Profiles on SRF Cavities in Super Fluid Helium

    SciTech Connect (OSTI)

    Ari Palczewski, Rongli Geng, Grigory Eremeev

    2011-07-01

    We designed and built two high resolution (0.6-0.55mm special resolution [1.1-1.2mm separation]) thermometry arrays prototypes out of the Allen Bradley 90-120 ohm 1/8 watt resistor to measure surface temperature profiles on SRF cavities. One array was designed to be physically flexible and conform to any location on a SRF cavity; the other was modeled after the common G-10/stycast 2850 thermometer and designed to fit on the equator of an ILC (Tesla 1.3GHz) SRF cavity. We will discuss the advantages and disadvantages of each array and their construction. In addition we will present a case study of the arrays performance on a real SRF cavity TB9NR001. TB9NR001 presented a unique opportunity to test the performance of each array as it contained a dual (4mm separation) cat eye defect which conventional methods such as OST (Oscillating Superleak second-sound Transducers) and full coverage thermometry mapping were unable to distinguish between. We will discuss the new arrays ability to distinguish between the two defects and their preheating performance.

  7. Method Of Signal Amplification In Multi-Chromophore Luminescence Sensors

    DOE Patents [OSTI]

    Levitsky, Igor A.; Krivoshlykov, Sergei G.

    2004-02-03

    A fluorescence-based method for highly sensitive and selective detection of analyte molecules is proposed. The method employs the energy transfer between two or more fluorescent chromophores in a carefully selected polymer matrix. In one preferred embodiment, signal amplification has been achieved in the fluorescent sensing of dimethyl methylphosphonate (DMMP) using two dyes, 3-aminofluoranthene (AM) and Nile Red (NR), in a hydrogen bond acidic polymer matrix. The selected polymer matrix quenches the fluorescence of both dyes and shifts dye emission and absorption spectra relative to more inert matrices. Upon DMMP sorption, the AM fluorescence shifts to the red at the same time the NR absorption shifts to the blue, resulting in better band overlap and increased energy transfer between chromophores. In another preferred embodiment, the sensitive material is incorporated into an optical fiber system enabling efficient excitation of the dye and collecting the fluorescent signal form the sensitive material on the remote end of the system. The proposed method can be applied to multichromophore luminescence sensor systems incorporating N-chromophores leading to N-fold signal amplification and improved selectivity. The method can be used in all applications where highly sensitive detection of basic gases, such as dimethyl methylphosphonate (DMMP), Sarin, Soman and other chemical warfare agents having basic properties, is required, including environmental monitoring, chemical industry and medicine.

  8. Use of bark-derived pyrolysis oils ass a phenol substitute in structural panel adhesives

    SciTech Connect (OSTI)

    Louisiana Pacific Corp

    2004-03-01

    The main objective of this program was to pilot the world's first commercial-scale production of an acceptable phenol formaldehyde (PF) resin containing natural resin (NR) ingredients, for use as an adhesive in Oriented-Strand Board (OSB) and plywood panel products. Natural Resin products, specifically MNRP are not lignin ''fillers''. They are chemically active, natural phenolics that effectively displace significant amounts of phenol in PF resins, and which are extracted from bark-derived and wood-derived bio-oils. Other objectives included the enhancement of the economics of NR (MNRP) production by optimizing the production of certain Rapid Thermal Processing (RTP{trademark}) byproducts, particularly char and activated carbon. The options were to activate the char for use in waste-water and/or stack gas purification. The preliminary results indicate that RTP{trademark} carbon may ultimately serve as a feedstock for activated carbon synthesis, as a fuel to be used within the wood product mill, or a fuel for an electrical power generating facility. Incorporation of the char as an industrial heat source for use in mill operations was L-P's initial intention for the carbon, and was also of interest to Weyerhaeuser as they stepped into in the project.

  9. 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.

  10. Evaluating the solid electrolyte interphase formed on silicon electrodes: A comparison of ex situ X-ray photoelectron spectroscopy and in situ neutron reflectometry

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

    Doucet, Mathieu; Browning, Jim; Baldwin, J. K.; Winiarz, Jeffrey; Kaiser, Helmut; Taub, H.; Veith, Gabriel M.

    2016-04-15

    This work details the in situ characterization of the interface between a silicon electrode and an electrolyte using a linear fluorinated solvent molecule, 0.1 M lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) in deuterated dimethyl perfluoroglutarate (d6-PF5M2) (1.87 x 10-2 mS/cm-1). The solid electrolyte interphase (SEI) composition and thickness determined via in situ neutron reflectometry (NR) and ex situ X-ray photoelectron spectroscopy (XPS) were compared. The data show that SEI expansion and contraction (breathing) during electrochemical cycling was observed via both techniques; however, ex situ XPS suggests that the SEI thickness increases during Si lithiation and decreases during delithiation, while in situ NR suggestsmore » the opposite. The most likely cause of this discrepancy is the selective removal of SEI components (top 20 nm of the SEI) during the electrode rinse process, required to remove electrolyte residue prior to ex situ analysis, demonstrating the necessity of performing SEI characterizations in situ.« less

  11. Understanding dynamic changes in live cell adhesion with neutron reflectometry

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

    Junghans, Ann; Waltman, Mary Jo; Smith, Hillary L.; Pocivavsek, Luka; Zebda, Noureddine; Birukov, Konstantin; Viapiano, Mariano; Majewski, Jaroslaw

    2014-12-10

    In this study, neutron reflectometry (NR) was used to examine various live cells' adhesion to quartz substrates under different environmental conditions, including flow stress. To the best of our knowledge, these measurements represent the first successful visualization and quantization of the interface between live cells and a substrate with sub-nanometer resolution. In our first experiments, we examined live mouse fibroblast cells as opposed to past experiments using supported lipids, proteins, or peptide layers with no associated cells. We continued the NR studies of cell adhesion by investigating endothelial monolayers and glioblastoma cells under dynamic flow conditions. We demonstrated that neutronmore » reflectometry is a powerful tool to study the strength of cellular layer adhesion in living tissues, which is a key factor in understanding the physiology of cell interactions and conditions leading to abnormal or disease circumstances. Continuative measurements, such as investigating changes in tumor cell — surface contact of various glioblastomas, could impact advancements in tumor treatments. In principle, this can help us to identify changes that correlate with tumor invasiveness. Pursuit of these studies can have significant medical impact on the understanding of complex biological problems and their effective treatment, e.g. for the development of targeted anti-invasive therapies.« less

  12. Understanding dynamic changes in live cell adhesion with neutron reflectometry

    SciTech Connect (OSTI)

    Junghans, Ann; Waltman, Mary Jo; Smith, Hillary L.; Pocivavsek, Luka; Zebda, Noureddine; Birukov, Konstantin; Viapiano, Mariano; Majewski, Jaroslaw

    2014-12-10

    In this study, neutron reflectometry (NR) was used to examine various live cells' adhesion to quartz substrates under different environmental conditions, including flow stress. To the best of our knowledge, these measurements represent the first successful visualization and quantization of the interface between live cells and a substrate with sub-nanometer resolution. In our first experiments, we examined live mouse fibroblast cells as opposed to past experiments using supported lipids, proteins, or peptide layers with no associated cells. We continued the NR studies of cell adhesion by investigating endothelial monolayers and glioblastoma cells under dynamic flow conditions. We demonstrated that neutron reflectometry is a powerful tool to study the strength of cellular layer adhesion in living tissues, which is a key factor in understanding the physiology of cell interactions and conditions leading to abnormal or disease circumstances. Continuative measurements, such as investigating changes in tumor cell — surface contact of various glioblastomas, could impact advancements in tumor treatments. In principle, this can help us to identify changes that correlate with tumor invasiveness. Pursuit of these studies can have significant medical impact on the understanding of complex biological problems and their effective treatment, e.g. for the development of targeted anti-invasive therapies.

  13. Hydrogenation-induced edge magnetization in armchair MoS{sub 2} nanoribbon and electric field effects

    SciTech Connect (OSTI)

    Ouyang, Fangping; Yang, Zhixiong; Wu, Nannan; Chen, Yu; Ni, Xiang; Xiong, Xiang

    2014-02-17

    We performed density functional theory study on the electronic and magnetic properties of armchair MoS{sub 2} nanoribbons (AMoS{sub 2}NR) with different edge hydrogenation. Although bare and fully passivated AMoS{sub 2}NRs are nonmagnetic semiconductors, it was found that hydrogenation in certain patterns can induce localized ferromagnetic edge state in AMoS{sub 2}NRs and make AMoS{sub 2}NRs become antiferromagnetic semiconductors or ferromagnetic semiconductors. Electric field effects on the bandgap and magnetic moment of AMoS{sub 2}NRs were investigated. Partial edge hydrogenation can change a small-sized AMoS{sub 2}NR from semiconductor to metal or semimetal under a moderate transverse electric field. Since the rate of edge hydrogenation can be controlled experimentally via the temperature, pressure and concentration of H{sub 2}, our results suggest edge hydrogenation is a useful method to engineer the band structure of AMoS{sub 2}NRs.

  14. Synergistic regulation of the mouse orphan nuclear receptor SHP gene promoter by CLOCK-BMAL1 and LRH-1

    SciTech Connect (OSTI)

    Oiwa, Ako; Kakizawa, Tomoko . E-mail: tkaki@hsp.md.shinshu-u.ac.jp; Miyamoto, Takahide; Yamashita, Koh; Jiang, Wei; Takeda, Teiji; Suzuki, Satoru; Hashizume, Kiyoshi

    2007-02-23

    Small heterodimer partner (SHP; NR0B2) is an orphan nuclear receptor and acts as a repressor for wide variety of nuclear hormone receptors. We demonstrated here that mouse SHP mRNA showed a circadian expression pattern in the liver. Transient transfection of the mSHP promoter demonstrated that CLOCK-BMAL1, core circadian clock components, bound to E-box (CACGTG), and stimulated the promoter activity by 4-fold. Liver receptor homologue-1 (LRH-1; NR5A2) stimulated the mSHP promoter, and CLOCK-BMAL1 synergistically enhanced the LRH-1-mediated transactivation. Interestingly, SHP did not affect the CLOCK-BMAL1-mediated promoter activity, but strongly repressed the synergistic activation of CLOCK-BMAL1 and LRH-1. Furthermore, in vitro pull-down assays revealed the existence of direct protein-protein interaction between LRH-1 and CLOCK. In summary, this study shows that CLOCK-BMAL1, LRH-1 and SHP coordinately regulate the mSHP gene to generate the circadian oscillation. The cyclic expression of mSHP may affect daily activity of other nuclear receptors and contribute to circadian liver functions.

  15. Effective detective quantum efficiency for two mammography systems: Measurement and comparison against established metrics

    SciTech Connect (OSTI)

    Salvagnini, Elena; Bosmans, Hilde; Marshall, Nicholas W.; Struelens, Lara

    2013-10-15

    Purpose: The aim of this paper was to illustrate the value of the new metric effective detective quantum efficiency (eDQE) in relation to more established measures in the optimization process of two digital mammography systems. The following metrics were included for comparison against eDQE: detective quantum efficiency (DQE) of the detector, signal difference to noise ratio (SdNR), and detectability index (d′) calculated using a standard nonprewhitened observer with eye filter.Methods: The two systems investigated were the Siemens MAMMOMAT Inspiration and the Hologic Selenia Dimensions. The presampling modulation transfer function (MTF) required for the eDQE was measured using two geometries: a geometry containing scattered radiation and a low scatter geometry. The eDQE, SdNR, and d′ were measured for poly(methyl methacrylate) (PMMA) thicknesses of 20, 40, 60, and 70 mm, with and without the antiscatter grid and for a selection of clinically relevant target/filter (T/F) combinations. Figures of merit (FOMs) were then formed from SdNR and d′ using the mean glandular dose as the factor to express detriment. Detector DQE was measured at energies covering the range of typical clinically used spectra.Results: The MTF measured in the presence of scattered radiation showed a large drop at low spatial frequency compared to the low scatter method and led to a corresponding reduction in eDQE. The eDQE for the Siemens system at 1 mm{sup −1} ranged between 0.15 and 0.27, depending on T/F and grid setting. For the Hologic system, eDQE at 1 mm{sup −1} varied from 0.15 to 0.32, again depending on T/F and grid setting. The eDQE results for both systems showed that the grid increased the system efficiency for PMMA thicknesses of 40 mm and above but showed only small sensitivity to T/F setting. While results of the SdNR and d′ based FOMs confirmed the eDQE grid position results, they were also more specific in terms of T/F selection. For the Siemens system at 20 mm PMMA

  16. RR UECX I DEUEetdJ16 T LEMON7 ILL =@I9 V

    Office of Legacy Management (LM)

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  17. FY 2008 Annual Performance Report

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

    Hyd rog en Tan k Res earc h, LLN L PH EN IX Ex pe rim en t, BN L Fu el Ce ll Re sea rch , AN L Ca rb on Se qu es tra tio n Re se ar ch , PN NL Hi gh Ex pl os iv es Ap pl ic at io ns Fa ci lit y, LL NL Com put er Sim ulat ion The ater , LAN L Al ga e Re se ar ch , NR EL Ad va nc ed Bio fue ls Re se arc h, LB NL T ra in in g Nuc lear Mat eria ls Sto rag e, SRS C o a l G a s if ic a ti o n R e s e a rc h , P N N L Cli ma te Mo de lin g, OR NL AnnuAl PerformAnce rePort fY 2008 Table of Contents

  18. Electromagnetic radiation absorbers and modulators comprising polyaniline

    DOE Patents [OSTI]

    Epstein, Arthur J.; Ginder, John M.; Roe, Mitchell G.; Hajiseyedjavadi, Hamid

    1992-01-01

    A composition for absorbing electromagnetic radiation, wherein said electromagnetic radiation possesses a wavelength generally in the range of from about 1000 Angstroms to about 50 meters, wherein said composition comprises a polyaniline composition of the formula ##STR1## where y can be equal to or greater than zero, and R.sup.1 and R.sup.2 are independently selected from the group containing of H, --OCH.sub.3, --CH.sub.3, --F, --Cl, --Br, --I, NR.sup.3 .sub.2, --NHCOR.sup.3, --OH, --O.sup.-, SR.sup.3, --OCOR.sup.3, --NO.sub.2, --COOH, --COOR.sup.3, --COR.sup.3, --CHO, and --CN, where R.sup.3 is a C.sub.1 to C.sub.8 alkyl, aryl or aralkyl group.

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

    SciTech Connect (OSTI)

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

    2014-06-14

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

  20. Seeded Growth of Monodisperse Gold Nanorods Using Bromide-Free Surfactant Mixtures

    SciTech Connect (OSTI)

    Ye, XC; Gao, YZ; Chen, J; Reifsnyder, DC; Zheng, C; Murray, CB

    2013-05-01

    We demonstrate for the first time that monodisperse gold nanorods (NRs) with broadly tunable dimensions and longitudinal surface plasmon resonances can be synthesized using a bromide-free surfactant mixture composed of alkyltrimethylammonium chloride and sodium oleate. It is found that uniform gold NRs can be obtained even with an iodide concentration approaching 100 mu M in the growth solution. In contrast to conventional wisdom, our results provide conclusive evidence that neither bromide as the surfactant counterion nor a high concentration of bromide ions in the growth solution is essential for gold NR formation. Correlated electron microscopy study of three-dimensional structures of gold NRs reveals a previously unprecedented octagonal prismatic structure enclosed predominantly by high index {310} crystal planes. These findings should have profound implications for a comprehensive mechanistic understanding of seeded growth of anisotropic metal nanocrystals.

  1. Biaxial Creep Specimen Fabrication

    SciTech Connect (OSTI)

    JL Bump; RF Luther

    2006-02-09

    This report documents the results of the weld development and abbreviated weld qualification efforts performed by Pacific Northwest National Laboratory (PNNL) for refractory metal and superalloy biaxial creep specimens. Biaxial creep specimens were to be assembled, electron beam welded, laser-seal welded, and pressurized at PNNL for both in-pile (JOYO reactor, O-arai, Japan) and out-of-pile creep testing. The objective of this test campaign was to evaluate the creep behavior of primary cladding and structural alloys under consideration for the Prometheus space reactor. PNNL successfully developed electron beam weld parameters for six of these materials prior to the termination of the Naval Reactors program effort to deliver a space reactor for Project Prometheus. These materials were FS-85, ASTAR-811C, T-111, Alloy 617, Haynes 230, and Nirnonic PE16. Early termination of the NR space program precluded the development of laser welding parameters for post-pressurization seal weldments.

  2. Resolution of Surveillance Report No. PAD-BDW-95-004 for suspect bolts installed in the 105 KW roof addition structure

    SciTech Connect (OSTI)

    Frier, W.A.

    1995-04-14

    A DOE RL surveillance determined that a test report (WHC-SD-NR-TRP-020) was less than adequate. As a result, WHC removed nine of the previous in-situ tested A325 suspect bolts and contracted with Koon-Hall Testing Corporation to perform hardness and tensile testing and chemical composition analysis of the removed bolts. WHC also contracted with ADVENT Engineering, Inc., to perform an evaluation of the Koon-Hall test results and to respond to the concerns identified in the DOE RL surveillance. The Koon-Hall Laboratory test results and the assessments strongly support the conclusion that the suspect bolts are indeed the equivalent of A325 high-strength, Type-1 bolts and have been properly heat-treated.

  3. Coupling reactions of phenylacetylene with water, hydrogen sulfide and primary amines mediated by a Ru(II) phenylvinylidene complex

    SciTech Connect (OSTI)

    Bianchini, C.; Peruzzini, M.; Zanobini, F. [Istituto per lo Studio della Stereochimica ed Energetica dei Composti di Coordinazione, Florence (Italy)] [and others

    1995-12-31

    The Ru(II) fragment [(PNP)RuCl{sub 2}] assists the reaction of phenylacetylene with water, hydrogen sulfide and primary amines to give carbonyl, {eta}{sup 1}-benzylthioaldehyde, and isonitrile complexes, respectively [PNP = CH{sub 3}CH{sub 2}CH{sub 2}N(CH{sub 2}CH{sub 2}PPh{sub 2}){sub 2}]. In all of these processes, the reaction is initiated by the 1-alkyne to vinylidene tautomerization at the Ru(II) center, followed by attack of the H{sub 2}Z molecule (Z = O, S, NR) on the vinylidene ligand. The mechanisms which account for these transformations have been completely elucidated and several of the intermediates in these reactions have been isolated and fully characterized. The scope of these reactions in view of their potential applications in organic syntheses involving thioaldehydes and optically pure isonitriles will be briefly presented.

  4. NRC antitrust licensing actions, 1978--1996

    SciTech Connect (OSTI)

    Mayer, S.J.; Simpson, J.J.

    1997-09-01

    NUREG-0447, Antitrust Review of Nuclear Power Plants, was published in May 1978 and includes a compilation and discussion of U.S. Nuclear Regulatory Commission (NRC) proceedings and activity involving the NRC`s competitive review program through February 1978, NUREG-0447 is an update of an earlier discussion of the NRC`s antitrust review of nuclear power plants, NR-AIG-001, The US Nuclear Regulatory Commission`s Antitrust Review of Nuclear Power Plants: The Conditioning of Licenses, which reviewed the Commission`s antitrust review function from its inception in December 1970 through April 1976. This report summarizes the support provided to NRC staff in updating the compilation of the NRC`s antitrust licensing review activities for commercial nuclear power plants that have occurred since February 1978. 4 refs., 4 tabs.

  5. Infrared photoemitting diode having reduced work function

    DOE Patents [OSTI]

    Hirschfeld, T.B.

    1982-05-06

    In electro-optical detectors which include as elements a photoemitting photocathode and anode, a photoemitting diode is fabricated which lowers the diode's work function, thus reducing the cooling requirement typically needed for this type of device. The work function is reduced by sandwiching between the photocathode and anode a liquid meidum of the formula NR/sub 3/ and having an electron affinity for the electrons of the photocathode, which liquid medium permits free electrons leaving the photocathode to remain as stable solvated species in the liquid medium. Thus, highly light-absorbent, and therefore thin, metallic layers can be used for detection, thereby reducing dark current at a given temperature, with a consequent reduction in cooling requirements at constant detector performance.

  6. Infrared photoemitting diode having reduced work function

    DOE Patents [OSTI]

    Hirschfeld, Tomas B.

    1984-01-01

    In electro-optical detectors which include as elements a photoemitting photocathode and anode, a photoemitting diode is fabricated which lowers the diode's work function, thus reducing the cooling requirement typically needed for this type of device. The work function is reduced by sandwiching between the photocathode and anode a liquid medium of the formula NR.sub.3 and having an electron affinity for the electrons of the photocathode, which liquid medium permits free electrons leaving the photocathode to remain as stable solvated species in the liquid medium. Thus, highly light-absorbent, and therefore thin, metallic layers can be used for detection, thereby reducing dark current at a given temperature, with a consequent reduction in cooling requirements at constant detector performance.

  7. Hazard analysis for 300 Area N Reactor Fuel Fabrication and Storage Facilty

    SciTech Connect (OSTI)

    Johnson, D.J.; Brehm, J.R.

    1994-01-25

    This hazard analysis (HA) has been prepared for the 300 Area N Reactor Fuel Fabrication and Storage Facility (Facility), in compliance with the requirements of Westinghouse Hanford Company (Westinghouse Hanford) controlled manual WHC-CM-4-46, Nonreactor Facility Safety Analysis Manual, and to the direction of WHC-IP-0690, Safety Analysis and Regulation Desk Instructions, (WHC 1992). An HA identifies potentially hazardous conditions in a facility and the associated potential accident scenarios. Unlike the Facility hazard classification documented in WHC-SD-NR-HC-004, Hazard Classification for 300 Area N Reactor Fuel Fabrication and Storage Facility, (Huang 1993), which is based on unmitigated consequences, credit is taken in an HA for administrative controls or engineered safety features planned or in place. The HA is the foundation for the accident analysis. The significant event scenarios identified by this HA will be further evaluated in a subsequent accident analysis.

  8. A.

    Office of Legacy Management (LM)

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  9. Effects of fluid shear stress on polyelectrolyte multilayers by neutron scattering studies

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

    Singh, Saurabh; Junghans, Ann; Watkins, Erik; Kapoor, Yash; Toomey, Ryan; Majewski, Jaroslaw

    2015-02-17

    The structure of layer-by-layer (LbL) deposited nanofilm coatings consists of alternating polyethylenimine (PEI) and polystyrenesulfonate (PSS) films deposited on a single crystal quartz substrate. LbL-deposited nanofilms were investigated by neutron reflectomery (NR) in contact with water in the static and fluid shear stress conditions. The fluid shear stress was applied through a laminar flow of the liquid parallel to the quartz/polymer interface in a custom-built solid–liquid interface cell. The scattering length density profiles obtained from NR results of these polyelectrolyte multilayers (PEM), measured under different shear conditions, showed proportional decrease of volume fraction of water hydrating the polymers. For themore » highest shear rate applied (ca. 6800 s–1) the water volume fraction decreased by approximately 7%. The decrease of the volume fraction of water was homogeneous through the thickness of the film. Since there were not any significant changes in the total polymer thickness, it resulted in negative osmotic pressures in the film. The PEM films were compared with the behavior of thin films of thermoresponsive poly(N-isopropylacrylamide) (pNIPAM) deposited via spin-coating. The PEM and pNIPAM differ in their interactions with water molecules, and they showed opposite behaviors under the fluid shear stress. In both cases the polymer hydration was reversible upon the restoration of static conditions. Furthermore, a theoretical explanation is given to explain this difference in the effect of shear on hydration of polymeric thin films.« less

  10. Nuclear structure studies with ([ital e],[ital e][prime]), ([pi],[pi][prime]), and ([gamma],[pi]) reactions: Applications to [sup 10]B

    SciTech Connect (OSTI)

    Sato, T.; Odagawa, N.; Ohtsubo, H. ); Lee, T.H. )

    1994-02-01

    Theoretical approaches for investigating nuclear structure with ([ital e],[ital e][prime]), ([pi],[pi][prime]), and ([gamma],[pi]) reactions are presented and applied to study the shell-model description of [sup 10]B. The distorted wave impulse approximation formulated in momentum space is used to calculate the cross sections of ([pi],[pi][prime]) and ([gamma],[pi]) reactions from the [pi][ital N][r arrow][pi][ital N] and [pi][ital N][r arrow][gamma][ital N] off-shell amplitudes which are generated from the model of Nozawa, Blankleider, and Lee[1]. It is found that the nonlocal effects due to [pi][ital N] off-shell dynamics and nucleon Fermi motion are important in predicting ([gamma],[pi]) cross sections. The one-pion-exchange two-body exchange currents are included in ([ital e],[ital e][prime]) calculations. It is shown that the core polarization effects, calculated in a perturbation approach including excitations up to 6[h bar][omega], are essential in obtaining quantitative agreements with the data with no adjustable parameters. The predictions based on the shell model of Cohen and Kurath [2] and Hague and Maripuu [3] are compared in order to illustrate the use of ([ital e],[ital e][prime]), ([pi],[pi][prime]), and ([gamma],[pi]) reactions in distinguishing nuclear structure theories which are almost equivalent in describing static properties in nuclei. Predictions for future ([ital e],[ital e][prime]) and ([gamma],[pi]) experiments are also presented.

  11. EQPT, a data file preprocessor for the EQ3/6 software package: User`s guide and related documentation (Version 7.0); Part 2

    SciTech Connect (OSTI)

    Daveler, S.A.; Wolery, T.J.

    1992-12-17

    EQPT is a data file preprocessor for the EQ3/6 software package. EQ3/6 currently contains five primary data files, called datao files. These files comprise alternative data sets. These data files contain both standard state and activity coefficient-related data. Three (com, sup, and nea) support the use of the Davies or B-dot equations for the activity coefficients; the other two (hmw and pit) support the use of Pitzer`s (1973, 1975) equations. The temperature range of the thermodynamic data on these data files varies from 25{degrees}C only to 0-300{degrees}C. The principal modeling codes in EQ3/6, EQ3NR and EQ6, do not read a data0 file, however. Instead, these codes read an unformatted equivalent called a data1 file. EQPT writes a datal file, using the corresponding data0 file as input. In processing a data0 file, EQPT checks the data for common errors, such as unbalanced reactions. It also conducts two kinds of data transformation. Interpolating polynomials are fit to data which are input on temperature adds. The coefficients of these polynomials are then written on the datal file in place of the original temperature grids. A second transformation pertains only to data files tied to Pitzer`s equations. The commonly reported observable Pitzer coefficient parameters are mapped into a set of primitive parameters by means of a set of conventional relations. These primitive form parameters are then written onto the datal file in place of their observable counterparts. Usage of the primitive form parameters makes it easier to evaluate Pitzer`s equations in EQ3NR and EQ6. EQPT and the other codes in the EQ3/6 package are written in FORTRAN 77 and have been developed to run under the UNIX operating system on computers ranging from workstations to supercomputers.

  12. Effect of number of stack on the thermal escape and non-radiative and radiative recombinations of photoexcited carriers in strain-balanced InGaAs/GaAsP multiple quantum-well-inserted solar cells

    SciTech Connect (OSTI)

    Aihara, Taketo; Fukuyama, Atsuhiko; Ikari, Tetsuo; Suzuki, Hidetoshi; Fujii, Hiromasa; Nakano, Yoshiaki; Sugiyama, Masakazu

    2015-02-28

    Three non-destructive methodologies, namely, surface photovoltage (SPV), photoluminescence, and piezoelectric photothermal (PPT) spectroscopies, were adopted to detect the thermal carrier escape from quantum well (QW) and radiative and non-radiative carrier recombinations, respectively, in strain-balanced InGaAs/GaAsP multiple-quantum-well (MQW)-inserted GaAs p-i-n solar cell structure samples. Although the optical absorbance signal intensity was proportional to the number of QW stack, the signal intensities of the SPV and PPT methods decreased at high number of stack. To explain the temperature dependency of these signal intensities, we proposed a model that considers the three carrier dynamics: the thermal escape from the QW, and the non-radiative and radiative carrier recombinations within the QW. From the fitting procedures, it was estimated that the activation energies of the thermal escape ΔE{sub barr} and non-radiative recombination ΔE{sub NR} were 68 and 29 meV, respectively, for a 30-stacked MQW sample. The estimated ΔE{sub barr} value agreed well with the difference between the first electron subband and the top of the potential barrier in the conduction band. We found that ΔE{sub barr} remained constant at approximately 70 meV even with increasing QW stack number. However, the ΔE{sub NR} value monotonically increased with the increase in the number of stack. Since this implies that non-radiative recombination becomes improbable as the number of stack increases, we found that the radiative recombination probability for electrons photoexcited within the QW increased at a large number of QW stack. Additional processes of escaping and recapturing of carriers at neighboring QW were discussed. As a result, the combination of the three non-destructive methodologies provided us new insights for optimizing the MQW components to further improve the cell performance.

  13. Interfacial morphology of low-voltage anodic aluminium oxide

    SciTech Connect (OSTI)

    Hu, Naiping; Dongcinn, Xuecheng; He, Xueying; Argekar, Sandip; Zhang, Yan; Browning, Jim; Schaefer, Dale

    2013-01-01

    X-ray reflectivity (XRR) and neutron reflectivity (NR), as well as ultra-smallangle X-ray scattering (USAXS), are used to examine the in-plane and surfacenormal structure of anodic films formed on aluminium alloy AA2024 and pure aluminium. Aluminium and alloy films up to 3500 A thick were deposited on Si wafers by electron beam evaporation of ingots. Porous anodic aluminium oxide (AAO) films are formed by polarizing at constant voltage up to 20 V noble to the open circuit potential. The voltage sweet spot (5 V) appropriate for constant-voltage anodization of such thin films was determined for both alloy and pure Al. In addition, a new concurrent voltage- and current-control protocol was developed to prepare films with larger pores (voltages higher than 5 V), but formed at a controlled current so that pore growth is slow enough to avoid stripping the aluminium substrate layer. USAXS shows that the pore size and interpore spacing are fixed in the first 10 s after initiation of anodization. Pores then grow linearly in time, at constant radius and interpore spacing. Using a combination of XRR and NR, the film density and degree of hydration of the films were determined from the ratio of scattering length densities. Assuming a chemical formula Al2O3xH2O, it was found that x varies from 0.29 for the native oxide to 1.29 for AAO grown at 20 V under concurrent voltage and current control. The average AAO film density of the porous film at the air surface is 2.45 (20) g cm3. The density of the barrier layer at the metal interface is 2.9 (4) g cm3, which indicates that this layer is also quite porous

  14. Alkali metal yttrium neo-pentoxide double alkoxide precursors to alkali metal yttrium oxide nanomaterials

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

    Boyle, Timothy J.; Neville, Michael L.; Sears, Jeremiah Matthew; Cramer, Roger

    2016-03-15

    In this study, a series of alkali metal yttrium neo-pentoxide ([AY(ONep)4]) compounds were developed as precursors to alkali yttrium oxide (AYO2) nanomaterials. The reaction of yttrium amide ([Y(NR2)3] where R=Si(CH3)3) with four equivalents of H-ONep followed by addition of [A(NR2)] (A=Li, Na, K) or Ao (Ao=Rb, Cs) led to the formation of a complex series of AnY(ONep)3+n species, crystallographically identified as [Y2Li3(μ3-ONep)(μ3-HONep)(μ-ONep)5(ONep)3(HONep)2] (1), [YNa2(μ3-ONep)4(ONep)]2 (2), {[Y2K3(μ3-ONep)3(μ-ONep)4(ONep)2(ηξ-tol)2][Y4K2(μ4-O)(μ3-ONep)8(ONep)4]•ηx-tol]} (3), [Y4K2(μ4-O)(μ3-ONep)8(ONep)4] (3a), [Y2Rb3(μ4-ONep)3(μ-ONep)6] (4), and [Y2Cs4(μ6-O)(μ3-ONep)6(μ3-HONep)2(ONep)2(ηx-tol)4]•tol (5). Compounds 1–5 were investigated as single source precursors to AYOx nanomaterials following solvothermal routes (pyridine, 185 °C for 24h). The final products after thermal processing weremore » found by powder X-ray diffraction experiments to be Y2O3 with variable sized particles based on transmission electron diffraction. Energy dispersive X-ray spectroscopy studies indicated that the heavier alkali metal species were present in the isolated nanomaterials.« less

  15. 100-N Area Strontium-90 Treatability Demonstration Project: Phytoextraction Along the 100-N Columbia River Riparian Zone – Field Treatability Study

    SciTech Connect (OSTI)

    Fellows, Robert J.; Fruchter, Jonathan S.; Driver, Crystal J.; Ainsworth, Calvin C.

    2010-01-11

    Strontium-90 (90Sr) is present both in the aquifer near the river and in the vadose and riparian zones of the river’s shore at 100-NR-2. Phytoextraction of 90Sr is being considered as a potential remediation system along the riparian zone of the Columbia River. Phytoextraction would employ coyote willow (Salix exigua). Past studies have shown that willow roots share uptake mechanisms for Sr with Ca, a plant macronutrient as well as no discrimination between Sr and 90Sr. Willow 90Sr concentration ratios [CR’s; (pCi 90Sr/g dry wt. of new growth tissue)/(pCi 90Sr/g soil porewater)] were consistently greater than 65 with three-quarters of the assimilated label partitioned into the above ground shoot. Insect herbivore experiments also demonstrated no significant potential for bioaccumulation or food chain transfer from their natural activities. The objectives of this field study were three-fold: (1) to demonstrate that a viable, “managed” plot of coyote willows can be established on the shoreline of the Columbia River that would survive the same microenvironment to be encountered at the 100-NR-2 shoreline; (2) to show through engineered barriers that large and small animal herbivores can be prevented from feeding on these plants; and (3) to show that once established, the plants will provide sufficient biomass annually to support the phytoextraction technology. A field treatability demonstration plot was established on the Columbia River shoreline alongside the 100-K West water intake at the end of January 2007. The plot was delimited by a 3.05 m high chain-link fence and was approximately 10 x 25 m in size. A layer of fine mesh metal small animal screening was placed around the plot at the base of the fencing to a depth of 45 cm. A total of sixty plants were placed in six slightly staggered rows with 1-m spacing between plants. The actual plot size was 0.00461 hectare (ha). At the time of planting (March 12, 2007), the plot was located about 10 m from the

  16. Recyclable catalysts methods of making and using the same

    DOE Patents [OSTI]

    Dioumaev, Vladimir K.; Bullock, R. Morris

    2006-02-28

    Organometallic complexes are provided, which include a catalyst containing a transition metal, a ligand and a component having the formula GAr.sup.F. Ar.sup.F is an aromatic ring system selected from phenyl, naphthalenyl, anthracenyl, fluorenyl, or indenyl. The aromatic ring system has at least a substituent selected from fluorine, hydrogen, hydrocarbyl or fluorinated hydrocarbyl, G is substituted or unsubstituted (CH.sub.2).sub.n or (CF.sub.2).sub.n, wherein n is from 1 to 30, wherein further one or more CH.sub.2 or CF.sub.2 groups are optionally replaced by NR, PR, SiR.sub.2, BR, O or S, or R is hydrocarbyl or substituted hydrocarbyl, GAr.sup.F being covalently bonded to either said transition metal or said ligand of said catalyst, thereby rendering said cationic organometallic complex liquid. The catalyst of the organometallic complex can be [CpM(CO).sub.2(NHC)L.sub.k].sup.+A.sup.-, wherein M is an atom of molybdenum or tungsten, Cp is substituted or unsubstituted cyclopentadienyl radical represented by the formula [C.sub.5Q.sup.1Q.sup.2Q.sup.3Q.sup.4Q.sup.5], wherein Q.sup.1 to Q.sup.5 are independently selected from the group consisting of H radical, GAr.sup.F C.sub.1-20 hydrocarbyl radical, substituted hydrocarbyl radical, substituted hydrocarbyl radical substituted by GAr.sup.F, halogen radical, halogen-substituted hydrocarbyl radical, --OR, --C(O)R', --CO.sub.2R', --SiR'.sub.3 and --NR'R'', wherein R' and R'' are independently selected from the group consisting of H radical, C.sub.1-20 hydrocarbyl radical, halogen radical, and halogen-substituted hydrocarbyl radical, wherein said Q.sup.1 to Q.sup.5 radicals are optionally linked to each other to form a stable bridging group, NHC is any N-heterocyclic carbene ligand, L is either any neutral electron donor ligand, wherein k is a number from 0 to 1 or L is an anionic ligand wherein k is 2, and A.sup.- is an anion. Processes using the organometallic complexes as catalysts in catalytic reactions, such as for

  17. Sex-related differences in murine hepatic transcriptional and proteomic responses to TCDD

    SciTech Connect (OSTI)

    Prokopec, Stephenie D.; Watson, John D.; Lee, Jamie; Pohjanvirta, Raimo; Boutros, Paul C.

    2015-04-15

    2,3,7,8-Tetrachlorodibenzo-p-dioxin (TCDD) is an environmental contaminant that produces myriad toxicities in most mammals. In rodents alone, there is a huge divergence in the toxicological response across species, as well as among different strains within a species. But there are also significant differences between males and females animals of a single strain. These differences are inconsistent across model systems: the severity of toxicity is greater in female rats than males, while male mice and guinea pigs are more sensitive than females. Because the specific events that underlie this difference remain unclear, we characterized the hepatic transcriptional response of adult male and female C57BL/6 mice to 500 μg/kg TCDD at multiple time-points. The transcriptional profile diverged significantly between the sexes. Female mice demonstrated a large number of altered transcripts as early as 6 h following treatment, suggesting a large primary response. Conversely, male animals showed the greatest TCDD-mediated response 144 h following exposure, potentially implicating significant secondary responses. Nr1i3 was statistically significantly induced at all time-points in the sensitive male animals. This mRNA encodes the constitutive androstane receptor (CAR), a transcription factor involved in the regulation of xenobiotic metabolism, lipid metabolism, cell cycle and apoptosis. Surprisingly though, changes at the protein level (aside from the positive control, CYP1A1) were modest, with only FMO3 showing clear induction, and no genes with sex-differences. Thus, while male and female mice show transcriptional differences in their response to TCDD, their association with TCDD-induced toxicities remains unclear. - Highlights: • Differences exist between the toxicity phenotypes to TCDD in male and female mice. • TCDD-mediated transcriptomic differences were identified between the sexes. • Resistant female mice displayed a large, early-onset, transcriptomic response.

  18. Prenatal PCBs disrupt early neuroendocrine development of the rat hypothalamus

    SciTech Connect (OSTI)

    Dickerson, Sarah M.; Cunningham, Stephanie L.; Gore, Andrea C.

    2011-04-01

    Neonatal exposure to endocrine disrupting chemicals (EDCs) such as polychlorinated biphenyls (PCBs) can interfere with hormone-sensitive developmental processes, including brain sexual differentiation. We hypothesized that disruption of these processes by gestational PCB exposure would be detectable as early as the day after birth (postnatal day (P) 1) through alterations in hypothalamic gene and protein expression. Pregnant Sprague-Dawley rats were injected twice, once each on gestational days 16 and 18, with one of the following: DMSO vehicle; the industrial PCB mixture Aroclor 1221 (A1221); a reconstituted mixture of the three most prevalent congeners found in humans, PCB138, PCB153, and PCB180; or estradiol benzoate (EB). On P1, litter composition, anogenital distance (AGD), and body weight were assessed. Pups were euthanized for immunohistochemistry of estrogen receptor {alpha} (ER{alpha}) or TUNEL labeling of apoptotic cells or quantitative PCR of 48 selected genes in the preoptic area (POA). We found that treatment with EB or A1221 had a sex-specific effect on developmental apoptosis in the neonatal anteroventral periventricular nucleus (AVPV), a sexually dimorphic hypothalamic region involved in the regulation of reproductive neuroendocrine function. In this region, exposed females had increased numbers of apoptotic nuclei, whereas there was no effect of treatment in males. For ER{alpha}, EB treatment increased immunoreactive cell numbers and density in the medial preoptic nucleus (MPN) of both males and females, while A1221 and the PCB mixture had no effect. PCR analysis of gene expression in the POA identified nine genes that were significantly altered by prenatal EDC exposure, in a manner that varied by sex and treatment. These genes included brain-derived neurotrophic factor, GABA{sub B} receptors-1 and -2, IGF-1, kisspeptin receptor, NMDA receptor subunits NR2b and NR2c, prodynorphin, and TGF{alpha}. Collectively, these results suggest that the

  19. Neutron Reflectometry and QCM-D Study of the Interaction of Cellulase Enzymes with Films of Amorphous Cellulose

    SciTech Connect (OSTI)

    Halbert, Candice E; Ankner, John Francis; Kent, Michael S; Jaclyn, Murton K; Browning, Jim; Cheng, Gang; Liu, Zelin; Majewski, Jaroslaw; Supratim, Datta; Michael, Jablin; Bulent, Akgun; Alan, Esker; Simmons, Blake

    2011-01-01

    Improving the efficiency of enzymatic hydrolysis of cellulose is one of the key technological hurdles to reduce the cost of producing ethanol and other transportation fuels from lignocellulosic material. A better understanding of how soluble enzymes interact with insoluble cellulose will aid in the design of more efficient enzyme systems. We report a study involving neutron reflectometry (NR) and quartz crystal microbalance with dissipation (QCM-D) of the interaction of a commercial fungal enzyme extract (T. viride), two purified endoglucanses from thermophilic bacteria (Cel9A from A. acidocaldarius and Cel5A from T. maritima), and a mesophilic fungal endoglucanase (Cel45A from H. insolens) with amorphous cellulose films. The use of amorphous cellulose is motivated by the promise of ionic liquid pretreatment as a second generation technology that disrupts the native crystalline structure of cellulose. NR reveals the profile of water through the film at nm resolution, while QCM-D provides changes in mass and film stiffness. At 20 oC and 0.3 mg/ml, the T. viride cocktail rapidly digested the entire film, beginning from the surface followed by activity throughout the bulk of the film. For similar conditions, Cel9A and Cel5A were active for only a short period of time and only at the surface of the film, with Cel9A releasing 40 from the ~ 700 film and Cel5A resulting in only a slight roughening/swelling effect at the surface. Subsequent elevation of the temperature to the Topt in each case resulted in a very limited increase in activity, corresponding to the loss of an additional 60 from the film for Cel9A and 20 from the film for Cel5A, and very weak penetration into and digestion within the bulk of the film, before the activity again ceased. The results for Cel9A and Cel5A contrast sharply with results for Cel45A where very rapid and extensive penetration and digestion within the bulk of the film was observed at 20 C. We speculate that the large differences are due

  20. WE-A-17A-05: Differences in Applicator Configuration and Dwell Loading Between Standard and Image-Guided Tandem and Ring (T and R) HDR Brachytherapy

    SciTech Connect (OSTI)

    Damato, A; Cormack, R; Bhagwat, M; Buzurovic, I; Lee, L; Viswanathan, A

    2014-06-15

    Purpose: To investigate differences in: (i) relative location of the tandem and the ring compared to a rigid standard applicator model; and (ii) relative loading and changes in loading pattern between standard and image-guided planning. Methods: All T and R insertions performed in 2013 in our institution under CT- or MR-guidance were analyzed. Standard plans were generated using library applicator models with a fixed relationship between ring and tandem, standardized uniform dwell loading and normalization to point A. The graphic plans and the associated standard-plan dwell configurations were compared: the rings were rigidly registered, and the residual tandem shift, rotation and maximum distance between plan tandem dwell and corresponding model tandem dwell were calculated. The normalization ratio (NR = the ratio of graphic versus standard-plan total reference air kerma [TRAK]), the general loading difference (GLD = the difference between graphic and standard ratios of the tandem versus the ring TRAK), and the percent standard deviation (SD% = SD/mean) of the tandem and the ring TRAK for the graphic plan (all standard-plans SD% = 0) were calculated. Results: 71 T and R were analyzed. Residual tandem shift, rotation and maximum corresponding dwell distance were 1.2±0.8mm (0.4±0.4mm lateral, 0.9±0.8mm craniocaudal, 0.4±0.3mm anterior-posterior), 2.3±1.9deg and 3.4±2.3mm. NR was 0.86±0.11 indicating a lower overall loading of the graphic compared to the standard plans. GLD was -0.12±0.16 indicating a modest increased ring loading relative to the tandem in the graphic plans. SD% was 2.1±1.6% for tandem and 2.8±1.9% for ring, indicating small deviations from uniform loading. Conclusion: Variability in the relative locations of the tandem and the ring necessitates the independent registration of each component model for accurate digitization. Our clinical experience suggests that graphically planned T and R results on average in a lower total dose to the

  1. Electronic and magnetic properties of armchair MoS{sub 2} nanoribbons under both external strain and electric field, studied by first principles calculations

    SciTech Connect (OSTI)

    Hu, Ting; Dong, Jinming; Zhou, Jian; Kawazoe, Yoshiyuki

    2014-08-14

    The electronic and magnetic properties of armchair edge MoS{sub 2} nanoribbons (MoS{sub 2}-ANRs) underboth the external strain and transverse electric field (E{sub t}) have been systematically investigated by using the first-principles calculations. It is found that: (1) If no electric field is applied, an interesting structural phase transition would appear under a large tensile strain, leading to a new phase MoS{sub 2}-A'NR, and inducing a big jump peak of the band gap in the transition region. But, the band gap response to compressive strains is much different from that to tensile strain, showing no the structural phase transition. (2) Under the small tensile strains (<10%), the combined E{sub t} and tensile strain give rise to a positive superposition (resonant) effect on the band gap reduction at low E{sub t} (<3 V/nm), and oppositely a negative superposition (antiresonant) one at high E{sub t} (>4 V/nm). On the other hand, the external compressive strains have always presented the resonant effect on the band gap reduction, induced by the electric field. (3) After the structural phase transition, an external large tensile strain could greatly reduce the critical field E{sub tc} causing the band gap closure, and make the system become a ferromagnetic (FM) metal at a relative low E{sub t} (e.g., <4 V/nm), which is very helpful for its promising applications in nano-mechanical spintronics devices. (4) At high E{sub t} (>10 V/nm), the magnetic moments of both the MoS{sub 2}-ANR and MoS{sub 2}-A'NR in their FM states could be enhanced greatly by a tensile strain. Our numerical results of effectively tuning physical properties of MoS{sub 2}-ANRs by combined external strain and electric field may open their new potential applications in nanoelectronics and spintronics.

  2. Thermally-induced transition of lamellae orientation in block-copolymer films on ‘neutral’ nanoparticle-coated substrates

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

    Yager, Kevin G.; Forrey, Christopher; Singh, Gurpreet; Satija, Sushil K.; Page, Kirt A.; Patton, Derek L.; Jones, Ronald L.; Karin, Alamgir; Douglas, Jack F.

    2015-06-01

    Block-copolymer orientation in thin films is controlled by the complex balance between interfacial free energies, including the inter-block segregation strength, the surface tensions of the blocks, and the relative substrate interactions. While block-copolymer lamellae orient horizontally when there is any preferential affinity of one block for the substrate, we recently described how nanoparticle-roughened substrates can be used to modify substrate interactions. We demonstrate how such ‘neutral’ substrates can be combined with control of annealing temperature to generate vertical lamellae orientations throughout a sample, at all thicknesses. We observe an orientational transition from vertical to horizontal lamellae upon heating, as confirmedmore » using a combination of atomic force microscopy (AFM), neutron reflectometry (NR) and rotational small-angle neutron scattering (RSANS). Using molecular dynamics (MD) simulations, we identify substrate-localized distortions to the lamellar morphology as the physical basis of the novel behavior. In particular, under strong segregation conditions, bending of horizontal lamellae induce a large energetic cost. At higher temperatures, the energetic cost of conformal deformations of lamellae over the rough substrate is reduced, returning lamellae to the typical horizontal orientation. Thus, we find that both surface interactions and temperature play a crucial role in dictating block-copolymer lamellae orientation. As a result, our combined experimental and simulation findings suggest that controlling substrate roughness should provide a useful and robust platform for controlling block-copolymer orientation in applications of these materials.« less

  3. Simplified treatment of exact resonance elastic scattering model in deterministic slowing down equation

    SciTech Connect (OSTI)

    Ono, M.; Wada, K.; Kitada, T.

    2012-07-01

    Simplified treatment of resonance elastic scattering model considering thermal motion of heavy nuclides and the energy dependence of the resonance cross section was implemented into NJOY [1]. In order to solve deterministic slowing down equation considering the effect of up-scattering without iterative calculations, scattering kernel for heavy nuclides is pre-calculated by the formula derived by Ouisloumen and Sanchez [2], and neutron spectrum in up-scattering term is expressed by NR approximation. To check the verification of the simplified treatment, the treatment is applied to U-238 for the energy range from 4 eV to 200 eV. Calculated multi-group capture cross section of U-238 is greater than that of conventional method and the increase of the capture cross sections is remarkable as the temperature becomes high. Therefore Doppler coefficient calculated in UO{sub 2} fuel pin is calculated more negative value than that on conventional method. The impact on Doppler coefficient is equivalent to the results of exact treatment of resonance elastic scattering reported in previous studies [2-7]. The agreement supports the validation of the simplified treatment and therefore this treatment is applied for other heavy nuclide to evaluate the Doppler coefficient in MOX fuel. The result shows that the impact of considering thermal agitation in resonance scattering in Doppler coefficient comes mainly from U-238 and that of other heavy nuclides such as Pu-239, 240 etc. is not comparable in MOX fuel. (authors)

  4. Combined Spectroscopic and Electrochemical Detection of a NiIHN Bonding Interaction with Relevance to Electrocatalytic H2 Production

    SciTech Connect (OSTI)

    Kochem, Amelie; O'Hagan, Molly J.; Wiedner, Eric S.; van Gastel, Maurice

    2015-07-13

    The [Ni(PR2NR2)2]2+ family of complexes are exceptionally active catalysts for proton reduction to H2. In this manuscript, we explore the first protonation step of the proposed catalytic cycle by using a catalytically inactive NiI complex possessing a sterically demanding variation of the ligand. Due to the paramagnetic nature of the NiI oxidation state, the protonated NiI intermediate has been characterized through a combination of cyclic voltammetry, ENDOR, and HYSCORE spectroscopy. Both the electrochemical and spectroscopic studies indicate that the NiI complex is protonated at a pendant amine that is endo to Ni, which suggests the presence of an intramolecular NiIHN bonding interaction. Using density functional theory, the proton was found to hydrogen bond to three doubly-occupied, localized molecular orbitals: the 3dxz, 3dz2, and 3dyz orbitals of nickel. These studies provide the first direct experimental evidence for this critical catalytic intermediate, and implications for catalytic H2 production are discussed. Research was supported by the Max Planck Society (EPR, ENDOR, and HYSCORE spectroscopy, computational studies), and as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (electrochemistry, NMR spectroscopy). Pacific Northwest National Laboratory is operated by Battelle for DOE.

  5. Double Retort System for Materials Compatibility Testing

    SciTech Connect (OSTI)

    V. Munne; EV Carelli

    2006-02-23

    With Naval Reactors (NR) approval of the Naval Reactors Prime Contractor Team (NRPCT) recommendation to develop a gas cooled reactor directly coupled to a Brayton power conversion system as the Space Nuclear Power Plant (SNPP) for Project Prometheus (References a and b) there was a need to investigate compatibility between the various materials to be used throughout the SNPP. Of particular interest was the transport of interstitial impurities from the nickel-base superalloys, which were leading candidates for most of the piping and turbine components to the refractory metal alloys planned for use in the reactor core. This kind of contamination has the potential to affect the lifetime of the core materials. This letter provides technical information regarding the assembly and operation of a double retort materials compatibility testing system and initial experimental results. The use of a double retort system to test materials compatibility through the transfer of impurities from a source to a sink material is described here. The system has independent temperature control for both materials and is far less complex than closed loops. The system is described in detail and the results of three experiments are presented.

  6. Hot Leg Piping Materials Issues

    SciTech Connect (OSTI)

    V. Munne

    2006-07-19

    With Naval Reactors (NR) approval of the Naval Reactors Prime Contractor Team (NRPCT) recommendation to develop a gas cooled reactor directly coupled to a Brayton power conversion system as the space nuclear power plant (SNPP) for Project Prometheus (References a and b) the reactor outlet piping was recognized to require a design that utilizes internal insulation (Reference c). The initial pipe design suggested ceramic fiber blanket as the insulation material based on requirements associated with service temperature capability within the expected range, very low thermal conductivity, and low density. Nevertheless, it was not considered to be well suited for internal insulation use because its very high surface area and proclivity for holding adsorbed gases, especially water, would make outgassing a source of contaminant gases in the He-Xe working fluid. Additionally, ceramic fiber blanket insulating materials become very friable after relatively short service periods at working temperatures and small pieces of fiber could be dislodged and contaminate the system. Consequently, alternative insulation materials were sought that would have comparable thermal properties and density but superior structural integrity and greatly reduced outgassing. This letter provides technical information regarding insulation and materials issues for the Hot Leg Piping preconceptual design developed for the Project Prometheus space nuclear power plant (SNPP).

  7. Mechanisms of degradation in adhesive joint strength: Glassy polymer thermoset bond in a humid environment

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

    Kropka, Jamie Michael; Adolf, Douglas Brian; Spangler, Scott Wilmer; Austin, Kevin N.; Chambers, Robert S.

    2015-08-06

    The degradation in the strength of napkin-ring (NR) joints bonded with an epoxy thermoset is evaluated in a humid environment. While adherend composition (stainless steel and aluminum) and surface preparation (polished, grit blasted, primed, coupling agent coated) do not affect virgin (time=0) joint strength, they can significantly affect the role of moisture on the strength of the joint. Adherend surface abrasion and corrosion processes are found to be key factors in determining the reliability of joint strength in humid environments. In cases where surface specific joint strength degradation processes are not active, decreases in joint strength can be accounted formore » by the glass transition temperature, Tg, depression of the adhesive associated with water sorption. Under these conditions, joint strength can be rejuvenated to virgin strength by drying. In addition, the decrease in joint strength associated with water sorption can be predicted by the Simplified Potential Energy Clock (SPEC) model by shifting the adhesive reference temperature, Tref, by the same amount as the Tg depression. When surface specific degradation mechanisms are active, they can reduce joint strength below that associated with adhesive Tg depression, and joint strength is not recoverable by drying. Furthermore, a critical relative humidity (or, potentially, critical water sorption concentration), below which the surface specific degradation does not occur, appears to exist for the polished stainless steel joints.« less

  8. Cyclopentadienyl-Containing Low-Valent Early Transition Metal Olefin Polymerization Catalysts

    DOE Patents [OSTI]

    Marks, Tobin J.; Luo, Lubin; Yoon, Sung Cheol

    2004-06-08

    A catalyst system useful to polymerize and co-polymerize polar and non-polar olefin monomers is formed by in situ reduction with a reducing agent of a catalyst precursor comprising {Cp*MRR'.sub.n }.sup.+ {A}.sup.- wherein Cp* is a cyclopentadienyl or substituted cyclopentadienyl moiety; M is an early transition metal; R is a C.sub.1 -C.sub.20 hydrocarbyl; R' are independently selected from hydride, C.sub.1 -C.sub.20 hydrocarbyl, SiR".sub.3, NR".sub.2, OR", SR", GeR".sub.3, SnR".sub.3, and C.dbd.C-containing groups (R"=C.sub.1 -C.sub.10 hydrocarbyl); n is an integer selected to balance the oxidation state of M; and A is a suitable non-coordinating anionic cocatalyst or precursor. This catalyst system may form stereoregular olefin polymers including syndiotactic polymers of styrene and methylmethacrylate and isotactic copolymers of polar and nonpolar olefin monomers such as methylmethacrylate and styrene.

  9. Cyclopentadienyl-containing low-valent early transition metal olefin polymerization catalysts

    DOE Patents [OSTI]

    Marks, Tobin J.; Luo, Lubin; Yoon, Sung Cheol

    2006-10-10

    A catalyst system useful to polymerize and co-polymerize polar and non-polar olefin monomers is formed by in situ reduction with a reducing agent of a catalyst precursor comprising {Cp*MRR'.sub.n}.sup.+{A}.sup.- wherein Cp* is a cyclopentadienyl or substituted cyclopentadienyl moiety; M is an early transition metal; R is a C.sub.1 C.sub.20 hydrocarbyl; R' are independently selected from hydride, C.sub.1 C.sub.20 hydrocarbyl, SiR''.sub.3, NR''.sub.2, OR'', SR'', GeR''.sub.3, SnR''.sub.3, and C.dbd.C-containing groups (R''=C.sub.1 C.sub.10 hydrocarbyl); n is an integer selected to balance the oxidation state of M; and A is a suitable non-coordinating anionic cocatalyst or precursor. This catalyst system may form stereoregular olefin polymers including syndiotactic polymers of styrene and methylmethacrylate and isotactic copolymers of polar and nonpolar olefin monomers such as methylmethacrylate and styrene.

  10. Cyclopentadienyl-containing low-valent early transition metal olefin polymerization catalysts

    DOE Patents [OSTI]

    Marks, Tobin J.; Luo, Lubin; Yoon, Sung Cheol

    2007-01-09

    A catalyst system useful to polymerize and co-polymerize polar and non-polar olefin monomers is formed by in situ reduction with a reducing agent of a catalyst precursor comprising {Cp*MRR'.sub.n}.sup.+{A}.sup.- wherein Cp* is a cyclopentadienyl or substituted cyclopentadienyl moiety; M is an early transition metal; R is a C.sub.1 C.sub.20 hydrocarbyl; R' are independently selected from hydride, C.sub.1 C.sub.20 hydrocarbyl, SiR''.sub.3, NR''.sub.2, OR'', SR'', GeR''.sub.3, SnR''.sub.3, and C.dbd.C-containing groups (R''=C.sub.1 C.sub.10 hydrocarbyl); n is an integer selected to balance the oxidation state of M; and A is a suitable non-coordinating anionic cocatalyst or precursor. This catalyst system may form stereoregular olefin polymers including syndiotactic polymers of styrene and methylmethacrylate and isotactic copolymers of polar and nonpolar olefin monomers such as methylmethacrylate and styrene.

  11. Cyclopentadienyl-containing low-valent early transition metal olefin polymerization catalysts

    DOE Patents [OSTI]

    Marks, Tobin J.; Luo, Lubin; Yoon, Sung Cheol

    2003-12-30

    A catalyst system useful to polymerize and co-polymerize polar and non-polar olefin monomers is formed by in situ reduction with a reducing agent of a catalyst precursor comprising wherein Cp* is a cyclopentadienyl or substituted cyclopentadienyl moiety; M is an early transition metal; R is a C.sub.1 -C.sub.20 hydrocarbyl; R' are independently selected from hydride, C.sub.1 -C.sub.20 hydrocarbyl, SiR".sub.3, NR".sub.2, OR", SR", GeR".sub.3, SnR".sub.3, and C.dbd.C containing groups (R".dbd.C.sub.1 -C.sub.10 hydrocarbyl); n is an integer selected to balance the oxidation state of M; and A is a suitable non-coordinating anionic cocatalyst or precursor. This catalyst system may form stereoregular olefin polymers including syndiotactic polymers of styrene and methylmethacrylate and isotactic copolymers of polar and nonpolar olefin monomers such as methylmethacrylate and styrene.

  12. Cyclopentadienyl-containing low-valent early transition metal olefin polymerization catalysts

    DOE Patents [OSTI]

    Marks, Tobin J.; Luo, Lubin; Yoon, Sung Cheol

    2003-04-08

    A catalyst system useful to polymerize and co-polymerize polar and non-polar olefin monomers is formed by in situ reduction with a reducing agent of a catalyst precursor comprising {Cp*MRR'.sub.n }.sup.+ {A}.sup.- wherein Cp* is a cyclopentadienyl or substituted cyclopentadienyl moiety; M is an early transition metal; R is a C.sub.1 -C.sub.20 hydrocarbyl; R' are independently selected from hydride, C.sub.1 -C.sub.20 hydrocarbyl, SiR".sub.3, NR".sub.2, OR", SR", GeR".sub.3, and SnR".sub.3 containing groups (R"=C.sub.1 -C.sub.10 hydrocarbyl); n is an integer selected to balance the oxidation state of M; and A is a suitable non-coordinating anionic cocatalyst or precursor. This catalyst system may form stereoregular olefin polymers including syndiotactic polymers of styrene and methylmethacrylate and isotactic copolymers of polar and nonpolar olefin monomers such as methylmethacrylate and styrene.

  13. Mechanisms of degradation in adhesive joint strength: Glassy thermoset polymer bond in a humid environment

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

    Kropka, Jamie Michael; Adolf, Douglas Brian; Spangler, Scott Wilmer; Austin, Kevin N.; Chambers, Robert S.

    2015-08-06

    The degradation in the strength of napkin-ring (NR) joints bonded with an epoxy thermoset is evaluated in a humid environment. While adherend composition (stainless steel and aluminum) and surface preparation (polished, grit blasted, primed, coupling agent coated) do not affect virgin (time=0) joint strength, they can significantly affect the role of moisture on the strength of the joint. Adherend surface abrasion and corrosion processes are found to be key factors in determining the reliability of joint strength in humid environments. In cases where surface specific joint strength degradation processes are not active, decreases in joint strength can be accounted formoreby the glass transition temperature, Tg, depression of the adhesive associated with water sorption. Under these conditions, joint strength can be rejuvenated to virgin strength by drying. In addition, the decrease in joint strength associated with water sorption can be predicted by the Simplified Potential Energy Clock (SPEC) model by shifting the adhesive reference temperature, Tref, by the same amount as the Tg depression. When surface specific degradation mechanisms are active, they can reduce joint strength below that associated with adhesive Tg depression, and joint strength is not recoverable by drying. Furthermore, a critical relative humidity (or, potentially, critical water sorption concentration), below which the surface specific degradation does not occur, appears to exist for the polished stainless steel joints.less

  14. Regioselectivity of radical attacks on substituted olefins. Application of the SCD model

    SciTech Connect (OSTI)

    Shaik, S.S. ); Canadell, E. )

    1990-02-14

    The SCD model is used to derive regiochemical trends in radical addition to olefins. Regiochemistry is discussed by appeal to two fundamental properties of the radical and the olefin. The first factor is the relative spin density in the {sup 3}{pi}{pi}* state of the olefin. Thus, radical attack is directed toward the olefinic carbon which possesses the highest spin density. The second factor is the relative bond strengths of the radical to the olefinic carbons. This factor directs the regiochemistry toward the olefinic terminus which forms the strongest bond with the radical. When the two effects join up, regioselectivity will be large, e.g., for CH{sub 2}=CHX (X = NR{sub 2}, CR, Cl, CN, Ph). When the two effects oppose one another, regioselectivity will be smaller, and regioselectivity crossovers are expected, e.g., for CF{sub 2}=CHF. The normal regiochemistry is shown to coincide with the spin density rule which makes identical predictions to the HOMO rule.

  15. Color stable manganese-doped phosphors

    DOE Patents [OSTI]

    Lyons, Robert Joseph; Setlur, Anant Achyut; Deshpande, Anirudha Rajendra; Grigorov, Ljudmil Slavchev

    2012-08-28

    A process for preparing color stable Mn.sup.+4 doped phosphors includes providing a phosphor of formula I; A.sub.x[MF.sub.y]:Mn.sup.+4 I and contacting the phosphor in particulate form with a saturated solution of a composition of formula II in aqueous hydrofluoric acid; A.sub.x[MF.sub.y]; II wherein A is Li, Na, K, Rb, Cs, NR.sub.4 or a combination thereof; M is Si, Ge, Sn, Ti, Zr, Al, Ga, In, Sc, Y, La, Nb, Ta, Bi, Gd, or a combination thereof; R is H, lower alkyl, or a combination thereof; x is the absolute value of the charge of the [MF.sub.y] ion; and y is 5, 6 or 7. In particular embodiments, M is Si, Ge, Sn, Ti, Zr, or a combination thereof. A lighting apparatus capable of emitting white light includes a semiconductor light source; and a phosphor composition radiationally coupled to the light source, and which includes a color stable Mn.sup.+4 doped phosphor.

  16. Color stable manganese-doped phosphors

    DOE Patents [OSTI]

    Lyons, Robert Joseph; Setlur, Anant Achyut; Deshpande, Anirundha Rajendra; Grigorov, Ljudmil Slavchev

    2014-04-29

    A lighting apparatus capable of emitting white light includes a semiconductor light source; and a phosphor material radiationally coupled to the light source. The phosphor material includes a color-stable Mn.sup.+4 doped phosphor prepared by a process including providing a phosphor of formula I; A.sub.x[MF.sub.y]:Mn.sup.+4 I and contacting the phosphor in particulate form with a saturated solution of a composition of formula II in aqueous hydrofluoric acid; A.sub.x[MF.sub.y]; II wherein A is Li, Na, K, Rb, Cs, NR.sub.4 or a combination thereof; M is Si, Ge, Sn, Ti, Zr, Al, Ga, In, Sc, Y, La, Nb, Ta, Bi, Gd, or a combination thereof; R is H, lower alkyl, or a combination thereof; x is the absolute value of the charge of the [MF.sub.y] ion; and y is 5, 6 or 7. In particular embodiments, M is Si, Ge, Sn, Ti, Zr, or a combination thereof.

  17. Peculiarity of two thermodynamically-stable morphologies and their impact on the efficiency of small molecule bulk heterojunction solar cells

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

    Herath, Nuradhika; Das, Sanjib; Keum, Jong K.; Zhu, Jiahua; Kumar, Rajeev; Ivanov, Ilia N.; Sumpter, Bobby G.; Browning, James F.; Xiao, Kai; Gu, Gong; et al

    2015-08-28

    Structural characteristics of the active layers in organic photovoltaic (OPV) devices play a critical role in charge generation, separation and transport. Here we report on morphology and structural control of p-DTS(FBTTh2)2:PC71BM films by means of thermal annealing and 1,8-diiodooctane (DIO) solvent additive processing, and correlate it to the device performance. By combining surface imaging with nanoscale depth-sensitive neutron reflectometry (NR) and X-ray diffraction, three-dimensional morphologies of the films are reconstituted with information extending length scales from nanometers to microns. DIO promotes the formation of a well-mixed donor-acceptor vertical phase morphology with a large population of small p-DTS(FBTTh2)2 nanocrystals arranged inmore » an elongated domain network of the film, thereby enhancing the device performance. In contrast, films without DIO exhibit three-sublayer vertical phase morphology with phase separation in agglomerated domains. Our findings are supported by thermodynamic description based on the Flory-Huggins theory with quantitative evaluation of pairwise interaction parameters that explain the morphological changes resulting from thermal and solvent treatments. Our study reveals that vertical phase morphology of small-molecule based OPVs is significantly different from polymer-based systems. Lastly, the significant enhancement of morphology and information obtained from theoretical modeling may aid in developing an optimized morphology to enhance device performance for OPVs.« less

  18. Imaging dirac-mass disorder from magnetic dopant-atoms in the ferromagnetic topological insulator Crx(Bi?.?Sb?.?)??xTe?

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

    Lee, Inhee; Kim, Chung Koo; Lee, Jinho; Billinge, Simon J. L.; Zhong, Ruidan D.; Schneeloch, John A.; Liu, Tiansheng S.; Valla, Tonica; Tranquada, John M.; Gu, Genda; et al

    2015-01-20

    To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a Dirac-mass gap in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in themoreferromagnetic TI Cr?.??(Bi?.?Sb?.?)?.??Te?. Simultaneous visualization of the Dirac-mass gap ?(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of ?(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship ?(r)?n(r) is confirmed throughout and exhibits an electrondopant interaction energy J* = 145 meVnm. These observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential.less

  19. Density functional theory analysis of the impact of steric interaction on the function of switchable polarity solvents

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

    McNally, Joshua S.; Noll, Bruce; Orme, Christopher J.; Wilson, Aaron D.

    2015-05-04

    Here, a density functional theory (DFT) analysis has been performed to explore the impact of steric interactions on the function of switchable polarity solvents (SPS) and their implications on a quantitative structure-activity relationship (QSAR) model previously proposed for SPS. An x-ray crystal structure of the N,N-dimethylcyclohexylammonium bicarbonate (Hdmcha) salt has been solved as an asymmetric unit containing two cation/anion pairs, with a hydrogen bonding interaction observed between the bicarbonate anions, as well as between the cation and anion in each pair. DFT calculations provide an optimized structure of Hdmcha that closely resembles experimental data and reproduces the cation/anion interaction withmore » the inclusion of a dielectric field. Relaxed potential energy surface (PES) scans have been performed on Hdmcha-based computational model compounds, differing in the size of functional group bonded to the nitrogen center, to assess the steric impact of the group on the relative energy and structural properties of the compound. Results suggest that both the length and amount of branching associated with the substituent impact the energetic limitations on rotation of the group along the N-R bond and NC-R bond, and disrupt the energy minimized position of the hydrogen bonded bicarbonate group. The largest interaction resulted from functional groups that featured five bonds between the ammonium proton and a proton on a functional group with the freedom of rotation to form a pseudo-six membered ring which included both protons.« less

  20. Density functional theory analysis of the impact of steric interaction on the function of switchable polarity solvents

    SciTech Connect (OSTI)

    McNally, Joshua S.; Noll, Bruce; Orme, Christopher J.; Wilson, Aaron D.

    2015-05-04

    Here, a density functional theory (DFT) analysis has been performed to explore the impact of steric interactions on the function of switchable polarity solvents (SPS) and their implications on a quantitative structure-activity relationship (QSAR) model previously proposed for SPS. An x-ray crystal structure of the N,N-dimethylcyclohexylammonium bicarbonate (Hdmcha) salt has been solved as an asymmetric unit containing two cation/anion pairs, with a hydrogen bonding interaction observed between the bicarbonate anions, as well as between the cation and anion in each pair. DFT calculations provide an optimized structure of Hdmcha that closely resembles experimental data and reproduces the cation/anion interaction with the inclusion of a dielectric field. Relaxed potential energy surface (PES) scans have been performed on Hdmcha-based computational model compounds, differing in the size of functional group bonded to the nitrogen center, to assess the steric impact of the group on the relative energy and structural properties of the compound. Results suggest that both the length and amount of branching associated with the substituent impact the energetic limitations on rotation of the group along the N-R bond and NC-R bond, and disrupt the energy minimized position of the hydrogen bonded bicarbonate group. The largest interaction resulted from functional groups that featured five bonds between the ammonium proton and a proton on a functional group with the freedom of rotation to form a pseudo-six membered ring which included both protons.

  1. Catalysts For Hydrogenation And Hydrosilylation Methods Of Making And Using The Same

    DOE Patents [OSTI]

    Dioumaev, Vladimir K.; Bullock, R. Morris

    2004-05-18

    A compound is provided including an organometallic complex represented by the formula I: wherein M is an atom of molybdenum or tangsten, Cp is substituted or unsubstituted cyclopentadienyl radical represented by the formula [C.sub.5 Q.sup.1 Q.sup.2 Q.sup.3 Q.sup.4 Q.sup.5 ], wherein Q.sup.1 to Q.sup.5 are independently selected from the group consisting of H radical, C.sub.1-20 hydrocarbyl radical, substituted hydrocarbyl radical, halogen radical, halogen-substituted hydrocarbyl radical, --OR, --C(O)R', --CO.sub.2 R', --SiR'.sub.3 and --NR'R", wherein R' and R" are independently selected from the group consisting of H radical, C.sub.1-20 hydrocarbyl radical, halogen radical, and halogen-substituted hydrocarbyl radical, wherein said Q.sup.1 to Q.sup.5 radicals are optionally linked to each other to form a stable bridging group, NHC is any N-heterocyclic carbene ligand, L is either any neutral electron donor ligand, wherein k is a number from 0 to 1 or L is an anionic ligand wherein k is 2, and A.sup.- is an anion. Processes using the organometallic complex as catalyst for hydrogenation of aldehydes and ketones are provided. Processes using the organometallic complex as catalyst for the hydrosilylation of aldehydes, ketones and esters are also provided.

  2. Thermally-induced transition of lamellae orientation in block-copolymer films on ‘neutral’ nanoparticle-coated substrates

    SciTech Connect (OSTI)

    Yager, Kevin G.; Forrey, Christopher; Singh, Gurpreet; Satija, Sushil K.; Page, Kirt A.; Patton, Derek L.; Jones, Ronald L.; Karin, Alamgir; Douglas, Jack F.

    2015-06-01

    Block-copolymer orientation in thin films is controlled by the complex balance between interfacial free energies, including the inter-block segregation strength, the surface tensions of the blocks, and the relative substrate interactions. While block-copolymer lamellae orient horizontally when there is any preferential affinity of one block for the substrate, we recently described how nanoparticle-roughened substrates can be used to modify substrate interactions. We demonstrate how such ‘neutral’ substrates can be combined with control of annealing temperature to generate vertical lamellae orientations throughout a sample, at all thicknesses. We observe an orientational transition from vertical to horizontal lamellae upon heating, as confirmed using a combination of atomic force microscopy (AFM), neutron reflectometry (NR) and rotational small-angle neutron scattering (RSANS). Using molecular dynamics (MD) simulations, we identify substrate-localized distortions to the lamellar morphology as the physical basis of the novel behavior. In particular, under strong segregation conditions, bending of horizontal lamellae induce a large energetic cost. At higher temperatures, the energetic cost of conformal deformations of lamellae over the rough substrate is reduced, returning lamellae to the typical horizontal orientation. Thus, we find that both surface interactions and temperature play a crucial role in dictating block-copolymer lamellae orientation. As a result, our combined experimental and simulation findings suggest that controlling substrate roughness should provide a useful and robust platform for controlling block-copolymer orientation in applications of these materials.

  3. Rigid-rotor, field-reversed configuration

    SciTech Connect (OSTI)

    Conti, F. Giammanco, F.; Plasma Diagnostics and Technologies Ltd., Via Giuntini 63, 56023 Navacchio ; Wessel, F. J.; Binderbauer, M. W.; Bolte, N.; Morehouse, M.; Qerushi, A.; Rahman, H. U.; Roche, T.; Slepchenkov, M.

    2014-02-15

    The radial profiles, n(r), B{sub z}(r), and E{sub r}(r), for a Flux-Coil (“inductively driven”), Field-Reversed Configuration (FC-FRC) are measured and compared to the predictions of the Rigid-Rotor Model (RRM), which is an analytic, one-dimensional, time-independent, equilibrium description for the FRC. Injectors mounted on both ends of the confinement vessel provide a pre-fill plasma. Coaxial coils mounted outside the vacuum boundaries of the annular-confinement vessel accelerate the plasma and produce the FRC. The density profile is measured by laser interferometry, the magnetic-field profile using an in-situ probe array, and the electric-field profile using an in-situ, floating-probe array. Free parameters for each profile are measured, which also allow other intrinsic-plasma parameters to be determined, using computer-fit algorithms: null radius, radial thickness, plasma temperature, rotation frequencies, the latter of which are independently verified by spectroscopy. All radial profiles agree with the RRM predictions, for the experimental configuration, parameter regime, and specified-time interval studied here.

  4. Impact of membrane characteristics on the performance and cycling of the Br-2-H-2 redox flow cell

    SciTech Connect (OSTI)

    Tucker, MC; Cho, KT; Spingler, FB; Weber, AZ; Lin, GY

    2015-06-15

    The Br-2/H-2 redox flow cell shows promise as a high-power, low-cost energy storage device. In this paper, the effect of various aspects of material selection and processing of proton exchange membranes on the operation of the Br-2/H-2 redox flow cell is determined. Membrane properties have a significant impact on the performance and efficiency of the system. In particular, there is a tradeoff between conductivity and crossover, where conductivity limits system efficiency at high current density and crossover limits efficiency at low current density. The impact of thickness, pretreatment procedure, swelling state during cell assembly, equivalent weight, membrane reinforcement, and addition of a microporous separator layer on this tradeoff is assessed. NR212 (50 mu m) pretreated by soaking in 70 degrees C water is found to be optimal for the studied operating conditions. For this case, an energy efficiency of greater than 75% is achieved for current density up to 400 mA cm(-2), with a maximum obtainable energy efficiency of 88%. A cell with this membrane was cycled continuously for 3164 h. Membrane transport properties, including conductivity and bromine and water crossover, were found to decrease moderately upon cycling but remained higher than those for the as-received membrane. (C) 2015 Elsevier B.V. All rights reserved.

  5. Impact of membrane characteristics on the performance and cycling of the Br₂–H₂ redox flow cell

    SciTech Connect (OSTI)

    Tucker, Michael C.; Cho, Kyu Taek; Spingler, Franz B.; Weber, Adam Z.; Lin, Guangyu

    2015-03-04

    The Br₂/H₂ redox flow cell shows promise as a high-power, low-cost energy storage device. In this paper, the effect of various aspects of material selection and processing of proton exchange membranes on the operation of the Br₂/H₂ redox flow cell is determined. Membrane properties have a significant impact on the performance and efficiency of the system. In particular, there is a tradeoff between conductivity and crossover, where conductivity limits system efficiency at high current density and crossover limits efficiency at low current density. The impact of thickness, pretreatment procedure, swelling state during cell assembly, equivalent weight, membrane reinforcement, and addition of a microporous separator layer on this tradeoff is assessed. NR212 (50 μm) pretreated by soaking in 70 °C water is found to be optimal for the studied operating conditions. For this case, an energy efficiency of greater than 75% is achieved for current density up to 400 mA cm⁻², with a maximum obtainable energy efficiency of 88%. A cell with this membrane was cycled continuously for 3164 h. Membrane transport properties, including conductivity and bromine and water crossover, were found to decrease moderately upon cycling but remained higher than those for the as-received membrane.

  6. Functional and structural diversity in GH62 α-L-arabinofuranosidases from the thermophilic fungus Scytalidium thermophilum

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

    Kaur, Amrit Pal; Nocek, Boguslaw P.; Xu, Xiaohui; Lowden, Michael J.; Leyva, Juan Francisco; Stogios, Peter J.; Cui, Hong; Leo, Rosa Di; Powlowski, Justin; Tsang, Adrian; et al

    2015-05-01

    The genome of the thermophilic fungus Scytalidium thermophilum (strain CBS 625.91) harbours a wide range of genes involved in carbohydrate degradation, including three genes, abf62A, abf62B and abf62C, predicted to encode glycoside hydrolase family 62 (GH62) enzymes. Transcriptome analysis showed that only abf62A and abf62C are actively expressed during growth on diverse substrates including straws from barley, alfalfa, triticale and canola. The abf62A and abf62C genes were expressed in Escherichia coli and the resulting recombinant proteins were characterized. Calcium-free crystal structures of Abf62C in apo and xylotriose bound forms were determined to 1.23 and 1.48 Å resolution respectively. Site-directed mutagenesismore » confirmed Asp55, Asp171 and Glu230 as catalytic triad residues, and revealed the critical role of non-catalytic residues Asp194, Trp229 and Tyr338 in positioning the scissile α-L-arabinofuranoside bond at the catalytic site. Further, the +2R substrate-binding site residues Tyr168 and Asn339, as well as the +2NR residue Tyr226, are involved in accommodating long-chain xylan polymers. Overall, our structural and functional analysis highlights characteristic differences between Abf62A and Abf62C, which represent divergent subgroups in the GH62 family.« less

  7. EARLY AFTERGLOWS OF GAMMA-RAY BURSTS IN A STRATIFIED MEDIUM WITH A POWER-LAW DENSITY DISTRIBUTION

    SciTech Connect (OSTI)

    Yi, Shuang-Xi; Dai, Zi-Gao [School of Astronomy and Space Science, Nanjing University, Nanjing 210093 (China); Wu, Xue-Feng, E-mail: dzg@nju.edu.cn [Purple Mountain Observatory, Chinese Academy of Sciences, Nanjing 210008 (China)

    2013-10-20

    A long-duration gamma-ray burst (GRB) has been widely thought to arise from the collapse of a massive star, and it has been suggested that its ambient medium is a homogenous interstellar medium (ISM) or a stellar wind. There are two shocks when an ultra-relativistic fireball that has been ejected during the prompt gamma-ray emission phase sweeps up the circumburst medium: a reverse shock that propagates into the fireball, and a forward shock that propagates into the ambient medium. In this paper, we investigate the temporal evolution of the dynamics and emission of these two shocks in an environment with a general density distribution of n?R {sup k} (where R is the radius) by considering thick-shell and thin-shell cases. A GRB afterglow with one smooth onset peak at early times is understood to result from such external shocks. Thus, we can determine the medium density distribution by fitting the onset peak appearing in the light curve of an early optical afterglow. We apply our model to 19 GRBs and find that their k values are in the range of 0.4-1.4, with a typical value of k ? 1, implying that this environment is neither a homogenous ISM with k = 0 nor a typical stellar wind with k = 2. This shows that the progenitors of these GRBs might have undergone a new mass-loss evolution.

  8. Peculiarity of two thermodynamically-stable morphologies and their impact on the efficiency of small molecule bulk heterojunction solar cells

    SciTech Connect (OSTI)

    Herath, Nuradhika; Das, Sanjib; Keum, Jong K.; Zhu, Jiahua; Kumar, Rajeev; Ivanov, Ilia N.; Sumpter, Bobby G.; Browning, James F.; Xiao, Kai; Gu, Gong; Joshi, Pooran; Smith, Sean; Lauter, Valeria

    2015-08-28

    Structural characteristics of the active layers in organic photovoltaic (OPV) devices play a critical role in charge generation, separation and transport. Here we report on morphology and structural control of p-DTS(FBTTh2)2:PC71BM films by means of thermal annealing and 1,8-diiodooctane (DIO) solvent additive processing, and correlate it to the device performance. By combining surface imaging with nanoscale depth-sensitive neutron reflectometry (NR) and X-ray diffraction, three-dimensional morphologies of the films are reconstituted with information extending length scales from nanometers to microns. DIO promotes the formation of a well-mixed donor-acceptor vertical phase morphology with a large population of small p-DTS(FBTTh2)2 nanocrystals arranged in an elongated domain network of the film, thereby enhancing the device performance. In contrast, films without DIO exhibit three-sublayer vertical phase morphology with phase separation in agglomerated domains. Our findings are supported by thermodynamic description based on the Flory-Huggins theory with quantitative evaluation of pairwise interaction parameters that explain the morphological changes resulting from thermal and solvent treatments. Our study reveals that vertical phase morphology of small-molecule based OPVs is significantly different from polymer-based systems. Lastly, the significant enhancement of morphology and information obtained from theoretical modeling may aid in developing an optimized morphology to enhance device performance for OPVs.

  9. CHL1 is involved in human breast tumorigenesis and progression

    SciTech Connect (OSTI)

    He, Li-Hong; Key Laboratory of Breast Cancer Prevention and Treatment of the Ministry of Education, Tianjin Medical University Cancer Institute and Hospital, Tianjin ; Ma, Qin; Shi, Ye-Hui; Key Laboratory of Breast Cancer Prevention and Treatment of the Ministry of Education, Tianjin Medical University Cancer Institute and Hospital, Tianjin ; Ge, Jie; Zhao, Hong-Meng; Breast Surgery, Tianjin Medical University Cancer Institute and Hospital, Tianjin ; Li, Shu-Fen; Key Laboratory of Breast Cancer Prevention and Treatment of the Ministry of Education, Tianjin Medical University Cancer Institute and Hospital, Tianjin ; Tong, Zhong-Sheng; Key Laboratory of Breast Cancer Prevention and Treatment of the Ministry of Education, Tianjin Medical University Cancer Institute and Hospital, Tianjin

    2013-08-23

    Highlights: CHL1 is down-regulation in breast cancer tissues. Down-regulation of CHL1 is related to high grade. Overexpression of CHL1 inhibits breast cancer cell proliferation and invasion in vitro. CHL1 deficiency induces breast cancer cell proliferation and invasion both in vitro and in vivo. -- Abstract: Neural cell adhesion molecules (CAM) play important roles in the development and regeneration of the nervous system. The L1 family of CAMs is comprised of L1, Close Homolog of L1 (CHL1, L1CAM2), NrCAM, and Neurofascin, which are structurally related trans-membrane proteins in vertebrates. Although the L1CAM has been demonstrated play important role in carcinogenesis and progression, the function of CHL1 in human breast cancer is limited. Here, we found that CHL1 is down-regulated in human breast cancer and related to lower grade. Furthermore, overexpression of CHL1 suppresses proliferation and invasion in MDA-MB-231 cells and knockdown of CHL1 expression results in increased proliferation and invasion in MCF7 cells in vitro. Finally, CHL1 deficiency promotes tumor formation in vivo. Our results may provide a strategy for blocking breast carcinogenesis and progression.

  10. Synthesis of labeled oxalic acid derivatives

    DOE Patents [OSTI]

    Martinez, Rodolfo A.; Unkefer, Clifford J.; Alvarez, Marc A.

    2004-06-22

    The present invention is directed to labeled compounds, specifically ##STR1## where each C* is selected from the group consisting of a carbon-12, i.e., .sup.12 C, or a carbon-13, i.e., .sup.13 C and at least one C* is .sup.13 C, R.sup.1 is selected from the group of C.sub.1 -C.sub.4 lower alkyl and aryl, and X is selected from the group of --NR.sup.2 R.sup.3 where R.sup.2 and R.sup.3 are each independently selected from the group of C.sub.1 -C.sub.4 lower alkyl, alkoxy and aryl, --SR.sup.4 where R.sup.4 is selected from the group of C.sub.1 -C.sub.4 lower alkyl, alkoxy and aryl, and --OR.sup.5 where R.sup.5 is selected from the group of C.sub.1 -C.sub.4 lower alkyl, alkoxy and aryl with the proviso that when R.sup.1 is methyl then R.sup.5 is other than methyl, when R.sup.1 is ethyl then R.sup.5 is other than ethyl, and when R.sup.1 is benzyl then R.sup.5 is other than benzyl.

  11. Impact of membrane characteristics on the performance and cycling of the Br₂–H₂ redox flow cell

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

    Tucker, Michael C.; Cho, Kyu Taek; Spingler, Franz B.; Weber, Adam Z.; Lin, Guangyu

    2015-03-04

    The Br₂/H₂ redox flow cell shows promise as a high-power, low-cost energy storage device. In this paper, the effect of various aspects of material selection and processing of proton exchange membranes on the operation of the Br₂/H₂ redox flow cell is determined. Membrane properties have a significant impact on the performance and efficiency of the system. In particular, there is a tradeoff between conductivity and crossover, where conductivity limits system efficiency at high current density and crossover limits efficiency at low current density. The impact of thickness, pretreatment procedure, swelling state during cell assembly, equivalent weight, membrane reinforcement, and additionmore » of a microporous separator layer on this tradeoff is assessed. NR212 (50 μm) pretreated by soaking in 70 °C water is found to be optimal for the studied operating conditions. For this case, an energy efficiency of greater than 75% is achieved for current density up to 400 mA cm⁻², with a maximum obtainable energy efficiency of 88%. A cell with this membrane was cycled continuously for 3164 h. Membrane transport properties, including conductivity and bromine and water crossover, were found to decrease moderately upon cycling but remained higher than those for the as-received membrane.« less

  12. Transcriptome sequencing and differential gene expression analysis in Viola yedoensis Makino (Fam. Violaceae) responsive to cadmium (Cd) pollution

    SciTech Connect (OSTI)

    Gao, Jian; Luo, Mao; Zhu, Ye; He, Ying; Wang, Qin; Zhang, Chun

    2015-03-27

    Viola yedoensis Makino is an important Chinese traditional medicine plant adapted to cadmium (Cd) pollution regions. Illumina sequencing technology was used to sequence the transcriptome of V. yedoensis Makino. We sequenced Cd-treated (VIYCd) and untreated (VIYCK) samples of V. yedoensis, and obtained 100,410,834 and 83,587,676 high quality reads, respectively. After de novo assembly and quantitative assessment, 109,800 unigenes were finally generated with an average length of 661 bp. We then obtained functional annotations by aligning unigenes with public protein databases including NR, NT, SwissProt, KEGG and COG. In addition, 892 differentially expressed genes (DEGs) were investigated between the two libraries of untreated (VIYCK) and Cd-treated (VIYCd) plants. Moreover, 15 randomly selected DEGs were further validated with qRT-PCR and the results were highly accordant with the Solexa analysis. This study firstly generated a successful global analysis of the V. yedoensis transcriptome and it will provide for further studies on gene expression, genomics, and functional genomics in Violaceae. - Highlights: • A de novo assembly generated 109,800 unigenes and 5,4479 of them were annotated. • 31,285 could be classified into 26 COG categories. • 263 biosynthesis pathways were predicted and classified into five categories. • 892 DEGs were detected and 15 of them were validated by qRT-PCR.

  13. Mechanisms of degradation in adhesive joint strength: Glassy polymer thermoset bond in a humid environment

    SciTech Connect (OSTI)

    Kropka, Jamie Michael; Adolf, Douglas Brian; Spangler, Scott Wilmer; Austin, Kevin N.; Chambers, Robert S.

    2015-08-06

    The degradation in the strength of napkin-ring (NR) joints bonded with an epoxy thermoset is evaluated in a humid environment. While adherend composition (stainless steel and aluminum) and surface preparation (polished, grit blasted, primed, coupling agent coated) do not affect virgin (time=0) joint strength, they can significantly affect the role of moisture on the strength of the joint. Adherend surface abrasion and corrosion processes are found to be key factors in determining the reliability of joint strength in humid environments. In cases where surface specific joint strength degradation processes are not active, decreases in joint strength can be accounted for by the glass transition temperature, Tg, depression of the adhesive associated with water sorption. Under these conditions, joint strength can be rejuvenated to virgin strength by drying. In addition, the decrease in joint strength associated with water sorption can be predicted by the Simplified Potential Energy Clock (SPEC) model by shifting the adhesive reference temperature, Tref, by the same amount as the Tg depression. When surface specific degradation mechanisms are active, they can reduce joint strength below that associated with adhesive Tg depression, and joint strength is not recoverable by drying. Furthermore, a critical relative humidity (or, potentially, critical water sorption concentration), below which the surface specific degradation does not occur, appears to exist for the polished stainless steel joints.

  14. Implementation of New Process Models for Tailored Polymer Composite Structures into Processing Software Packages

    SciTech Connect (OSTI)

    Nguyen, Ba Nghiep; Jin, Xiaoshi; Wang, Jin; Phelps, Jay; Tucker III, Charles L.; Kunc, Vlastimil; Bapanapalli, Satish K.; Smith, Mark T.

    2010-02-23

    This report describes the work conducted under the Cooperative Research and Development Agreement (CRADA) (Nr. 260) between the Pacific Northwest National Laboratory (PNNL) and Autodesk, Inc. to develop and implement process models for injection-molded long-fiber thermoplastics (LFTs) in processing software packages. The structure of this report is organized as follows. After the Introduction Section (Section 1), Section 2 summarizes the current fiber orientation models developed for injection-molded short-fiber thermoplastics (SFTs). Section 3 provides an assessment of these models to determine their capabilities and limitations, and the developments needed for injection-molded LFTs. Section 4 then focuses on the development of a new fiber orientation model for LFTs. This model is termed the anisotropic rotary diffusion - reduced strain closure (ARD-RSC) model as it explores the concept of anisotropic rotary diffusion to capture the fiber-fiber interaction in long-fiber suspensions and uses the reduced strain closure method of Wang et al. to slow down the orientation kinetics in concentrated suspensions. In contrast to fiber orientation modeling, before this project, no standard model was developed to predict the fiber length distribution in molded fiber composites. Section 5 is therefore devoted to the development of a fiber length attrition model in the mold. Sections 6 and 7 address the implementations of the models in AMI, and the conclusions drawn from this work is presented in Section 8.

  15. Electronic and magnetic properties of zigzag silicene nanoribbons with Stone–Wales defects

    SciTech Connect (OSTI)

    Dong, Haixia; Fang, Dangqi; Gong, Baihua; Zhang, Yang; Zhang, Erhu; Zhang, Shengli

    2015-02-14

    The structural, electronic, and magnetic properties of zigzag silicene nanoribbons (ZSiNRs) with Stone–Wales (SW) defects were investigated using first-principles calculations. We found that two types of SW defects (named SW-Ι and SW-ΙΙ) exist in ZSiNRs. The SW defect was found to be the most stable at the edge of the ZSiNR, independently of the defect orientation, even more stable than it is in an infinite silicene sheet. In addition, the ZSiNRs can transition from semiconductor to metal or half-metal by modifying the SW defect location and concentration. For the same defect concentration, the band structures influenced by the SW-Ι defect are more distinct than those influenced by the SW-ΙΙ when the SW defect is at the edge. The present study suggests the possibility of tuning the electronic properties of ZSiNRs using the SW defects and might motivate their potential application in nanoelectronics and spintronics.

  16. Volume generation of negative ions in high density hydrogen discharges. Revision 1

    SciTech Connect (OSTI)

    Hiskes, J.R.; Karo, A.M.

    1983-11-11

    An optimized tandem two-chamber negative-ion source system is discussed. In the first chamber high energy (E > 20 eV) electron collisions provide for H/sub 2/ vibrational excitation, while in the second chamber negative ions are formed by dissociative attachment. The gas density, electron density, and system scale length are varied as independent parameters. The extracted negative ion current density passes through a maximum as electron and gas densities are varied. This maximum scales inversely with system scale length, R. The optimum extracted current densities occur for electron densities near nR = 10/sup 13/ electrons cm/sup -2/ and for gas densities, N/sub 2/R, in the range 10/sup 14/ to 10/sup 15/ molecules cm/sup -2/. The extracted current densities are sensitive to the atomic concentration in the discharge. The atomic concentration is parametrized by the wall recombination coefficient, ..gamma.., and scale length, R. As ..gamma.. ranges from 0.1 to 1.0 and for system scale lengths of one centimeter, extracted current densities range from 8.0 to 80. mA cm/sup -2/.

  17. Inclusion of cool roofs in nonresidential Title 24 prescriptiverequirements

    SciTech Connect (OSTI)

    Levinson, Ronnen; Akbari, Hashem; Konopacki, Steve; Bretz, Sarah

    2003-07-01

    Roofs that have high solar reflectance (high ability toreflect sunlight) and high thermal emittance (high ability to radiateheat) tend to stay cool in the sun. The same is true of low-emittanceroofs with exceptionally high solar reflectance. Substituting a cool rooffor a non-cool roof tends to decrease cooling electricity use, coolingpower demand, and cooling-equipment capacity requirements, while slightlyincreasing heating energy consumption. Cool roofs can also lower citywideambient air temperature in summer, slowing ozone formation and increasinghuman comfort.DOE-2.1E building energy simulations indicate that use of acool roofing material on a prototypical California nonresidential (NR)building with a low-sloped roof yields average annual cooling energysavings of approximately 3.2 kW h/m2 (300 kW h/1000 ft2), average annualnatural gas deficits of 5.6 MJ/m2 (4.9 therm/1000 ft2), average annualsource energy savings of 30 MJ/m2 (2.6 MBTU/1000 ft2), and average peakpower demand savings of 2.1 W/m2 (0.19 kW/1000 ft2). The 15-year netpresent value (NPV) of energy savings averages $4.90/m2 ($450/1000 ft2)with time-dependent valuation (TDV), and $4.00/m2 ($370/1000 ft2) withoutTDV. When cost savings from downsizing cooling equipment are included,the average total savings (15-year NPV+equipment savings) rises to$5.90/m2 ($550/1000 ft2) with TDV, and to $5.00/m2 ($470/1000 ft2)without TDV.Total savings range from 1.90 to 8.30 $/m2 (0.18 0.77 $/ft2)with TDV, and from 1.70 to 7.10 $/m2 (0.16 0.66 $/ft2) without TDV,across California's 16 climate zones. The typical cost premium for a coolroof is 0.00 2.20 $/m2 (0.00 0.20 $/ft2). Cool roofs with premiums up to$2.20/m2 ($0.20/ft2) are expected to be cost effective in climate zones 216; those with premiums not exceeding $1.90/m2 ($0.18/ft2) are expectedto be also cost effective in climate zone 1. Hence, this study recommendsthat the year-2005 California building energy efficiency code (Title 24,Part 6 of the California Code of

  18. Characterization of Ambient Aerosols in Mexico City during the MCMA-2003 Campaign with Aerosol Mass Spectrometry. Results from the CENICA Supersite

    SciTech Connect (OSTI)

    Salcedo, D.; Onasch, Timothy B.; Dzepina, K.; Canagaratna, M. R.; Zhang, Q.; Huffman, A. J.; DeCarlo, Peter; Jayne, J. T.; Mortimer, P.; Worsnop, Douglas R.; Kolb, C. E.; Johnson, Kirsten S.; Zuberi, Bilal M.; Marr, L.; Volkamer, Rainer M.; Molina, Luisa; Molina, Mario J.; Cardenas, B.; Bernabe, R.; Marquez, C.; Gaffney, Jeffrey S.; Marley, Nancy A.; Laskin, Alexander; Shutthanandan, V.; Xie, YuLong; Brune, W. H.; Lesher, R.; Shirley, T.; Jiminez, J. L.

    2006-03-24

    An Aerodyne Aerosol Mass Spectrometer (AMS) was deployed at the CENICA Supersite, while another was deployed in the Aerodyne Mobile Laboratory (AML) during the Mexico City Metropolitan Area field study (MCMA-2003) from March 29-May 4, 2003 to investigate particle concentrations, sources, and processes. This is the first of a series of papers reporting the AMS results from this campaign. The AMS provides real time information on mass concentration and composition of the non-refractory species in particulate matter less than 1 ?m (NR PM1) with high time and size resolution. For the first time, we report field results from a beam width probe, which was used to study the shape and mixing state of the particles and to quantify potential losses of irregular particles due to beam broadening inside the AMS. Data from this probe show that no significant amount of irregular particles was lost due to excessive beam broadening. A comparison of the CENICA and AML AMSs measurements is presented, being the first published intercomparison between two quadrupole AMSs. The speciation, and mass concentrations reported by the two AMSs compared well. In order to account for the refractory material in the aerosol, we also present measurements of Black Carbon (BC) using an aethalometer and an estimate of the aerosol soil component obtained from PIXE analysis of filters. Comparisons of (AMS + BC + soil) mass concentration with other collocated particle instruments (a LASAIR Optical Particle Counter, a Tapered Element Oscillating Microbalance (TEOM) and a DustTrack Aerosol Monitor) are also presented. The comparisons show that the (AMS + BC + soil) mass concentration during MCMC-2003 is a good approximation to the total PM??? mass concentration.

  19. Biodegradation of biodiesel fuels

    SciTech Connect (OSTI)

    Zhang, X.; Haws, R.; Wright, B.; Reese, D.; Moeller, G.; Peterson, C.

    1995-12-31

    Biodiesel fuel test substances Rape Ethyl Ester (REE), Rape Methyl Ester (RME), Neat Rape Oil (NR), Say Methyl Ester (SME), Soy Ethyl Ester (SEE), Neat Soy Oil (NS), and proportionate combinations of RME/diesel and REE/diesel were studied to test the biodegradability of the test substances in an aerobic aquatic environment using the EPA 560/6-82-003 Shake Flask Test Method. A concurrent analysis of Phillips D-2 Reference Diesel was also performed for comparison with a conventional fuel. The highest rates of percent CO{sub 2} evolution were seen in the esterified fuels, although no significant difference was noted between them. Ranges of percent CO{sub 2} evolution for esterified fuels were from 77% to 91%. The neat rape and neat soy oils exhibited 70% to 78% CO{sub 2} evolution. These rates were all significantly higher than those of the Phillips D-2 reference fuel which evolved from 7% to 26% of the organic carbon to CO{sub 2}. The test substances were examined for BOD{sub 5} and COD values as a relative measure of biodegradability. Water Accommodated Fraction (WAF) was experimentally derived and BOD{sub 5} and COD analyses were carried out with a diluted concentration at or below the WAF. The results of analysis at WAF were then converted to pure substance values. The pure substance BOD{sub 5} and COD values for test substances were then compared to a control substance, Phillips D-2 Reference fuel. No significant difference was noted for COD values between test substances and the control fuel. (p > 0.20). The D-2 control substance was significantly lower than all test substances for BCD, values at p << 0.01. RME was also significantly lower than REE (p < 0.05) and MS (p < 0.01) for BOD{sub 5} value.

  20. Functional and structural diversity in GH62 ?-L-arabinofuranosidases from the thermophilic fungus Scytalidium thermophilum

    SciTech Connect (OSTI)

    Kaur, Amrit Pal; Nocek, Boguslaw P.; Xu, Xiaohui; Lowden, Michael J.; Leyva, Juan Francisco; Stogios, Peter J.; Cui, Hong; Leo, Rosa Di; Powlowski, Justin; Tsang, Adrian; Savchenko, Alexei

    2015-05-01

    The genome of the thermophilic fungus Scytalidium thermophilum (strain CBS 625.91) harbours a wide range of genes involved in carbohydrate degradation, including three genes, abf62A, abf62B and abf62C, predicted to encode glycoside hydrolase family 62 (GH62) enzymes. Transcriptome analysis showed that only abf62A and abf62C are actively expressed during growth on diverse substrates including straws from barley, alfalfa, triticale and canola. The abf62A and abf62C genes were expressed in Escherichia coli and the resulting recombinant proteins were characterized. Calcium-free crystal structures of Abf62C in apo and xylotriose bound forms were determined to 1.23 and 1.48 resolution respectively. Site-directed mutagenesis confirmed Asp55, Asp171 and Glu230 as catalytic triad residues, and revealed the critical role of non-catalytic residues Asp194, Trp229 and Tyr338 in positioning the scissile ?-L-arabinofuranoside bond at the catalytic site. Further, the +2R substrate-binding site residues Tyr168 and Asn339, as well as the +2NR residue Tyr226, are involved in accommodating long-chain xylan polymers. Overall, our structural and functional analysis highlights characteristic differences between Abf62A and Abf62C, which represent divergent subgroups in the GH62 family.

  1. Transcription factor FOXA2-centered transcriptional regulation network in non-small cell lung cancer

    SciTech Connect (OSTI)

    Jang, Sang-Min; An, Joo-Hee; Kim, Chul-Hong; Kim, Jung-Woong Choi, Kyung-Hee

    2015-08-07

    Lung cancer is the leading cause of cancer-mediated death. Although various therapeutic approaches are used for lung cancer treatment, these mainly target the tumor suppressor p53 transcription factor, which is involved in apoptosis and cell cycle arrest. However, p53-targeted therapies have limited application in lung cancer, since p53 is found to be mutated in more than half of lung cancers. In this study, we propose tumor suppressor FOXA2 as an alternative target protein for therapies against lung cancer and reveal a possible FOXA2-centered transcriptional regulation network by identifying new target genes and binding partners of FOXA2 by using various screening techniques. The genes encoding Glu/Asp-rich carboxy-terminal domain 2 (CITED2), nuclear receptor subfamily 0, group B, member 2 (NR0B2), cell adhesion molecule 1 (CADM1) and BCL2-associated X protein (BAX) were identified as putative target genes of FOXA2. Additionally, the proteins including highly similar to heat shock protein HSP 90-beta (HSP90A), heat shock 70 kDa protein 1A variant (HSPA1A), histone deacetylase 1 (HDAC1) and HDAC3 were identified as novel interacting partners of FOXA2. Moreover, we showed that FOXA2-dependent promoter activation of BAX and p21 genes is significantly reduced via physical interactions between the identified binding partners and FOXA2. These results provide opportunities to understand the FOXA2-centered transcriptional regulation network and novel therapeutic targets to modulate this network in p53-deficient lung cancer. - Highlights: • Identification of new target genes of FOXA2. • Identifications of novel interaction proteins of FOXA2. • Construction of FOXA2-centered transcriptional regulatory network in non-small cell lung cancer.

  2. Transcriptome Analysis in Sheepgrass (Leymus chinensis). A Dominant Perennial Grass of the Eurasian Steppe

    SciTech Connect (OSTI)

    Chen, Shuangyan; Huang, Xin; Yang, Xiaohan; Liu, Gongshe

    2013-07-04

    BACKGROUND: Sheepgrass [Leymus chinensis (Trin.) Tzvel.] is an important perennial forage grass across the Eurasian Steppe and is known for its adaptability to various environmental conditions. However, insufficient data resources in public databases for sheepgrass limited our understanding of the mechanism of environmental adaptations, gene discovery and molecular marker development. RESULTS: The transcriptome of sheepgrass was sequenced using Roche 454 pyrosequencing technology. We assembled 952,328 high-quality reads into 87,214 unigenes, including 32,416 contigs and 54,798 singletons. There were 15,450 contigs over 500 bp in length. BLAST searches of our database against Swiss-Prot and NCBI non-redundant protein sequences (nr) databases resulted in the annotation of 54,584 (62.6%) of the unigenes. Gene Ontology (GO) analysis assigned 89,129 GO term annotations for 17,463 unigenes. We identified 11,675 core Poaceae-specific and 12,811 putative sheepgrass-specific unigenes by BLAST searches against all plant genome and transcriptome databases. A total of 2,979 specific freezing-responsive unigenes were found from this RNAseq dataset. We identified 3,818 EST-SSRs in 3,597 unigenes, and some SSRs contained unigenes that were also candidates for freezing-response genes. Characterizations of nucleotide repeats and dominant motifs of SSRs in sheepgrass were also performed. Similarity and phylogenetic analysis indicated that sheepgrass is closely related to barley and wheat. CONCLUSIONS: This research has greatly enriched sheepgrass transcriptome resources. The identified stress-related genes will help us to decipher the genetic basis of the environmental and ecological adaptations of this species and will be used to improve wheat and barley crops through hybridization or genetic transformation. The EST-SSRs reported here will be a valuable resource for future gene-phenotype studies and for the molecular breeding of sheepgrass and other Poaceae species.

  3. Imaging Dirac-mass disorder from magnetic dopant atoms in the ferromagnetic topological insulator Crx(Bi0.1Sb0.9)2-xTe3

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

    Lee, Inhee; Kim, Chung Koo; Lee, Jinho; Billinge, Simon J. L.; Zhong, Ruidan D.; Schneeloch, John A.; Liu, Tiansheng S.; Valla, Tonica; Tranquada, John M.; Gu, Genda D.; et al

    2015-01-20

    To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a “Dirac-mass gap” in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in themore » ferromagnetic TI Cr₀.₀₈(Bi₀.₁Sb₀.₉)₁.₉₂Te₃. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship Δ(r)∝n(r) is confirmed throughout and exhibits an electron–dopant interaction energy J* = 145 meV·nm². In addition, these observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential.« less

  4. Imaging Dirac-mass disorder from magnetic dopant atoms in the ferromagnetic topological insulator Crx(Bi0.1Sb0.9)2-xTe3

    SciTech Connect (OSTI)

    Lee, Inhee; Kim, Chung Koo; Lee, Jinho; Billinge, Simon J. L.; Zhong, Ruidan D.; Schneeloch, John A.; Liu, Tiansheng S.; Valla, Tonica; Tranquada, John M.; Gu, Genda D.; Davis, J. C. Séamus

    2015-01-20

    To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a “Dirac-mass gap” in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in the ferromagnetic TI Cr₀.₀₈(Bi₀.₁Sb₀.₉)₁.₉₂Te₃. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship Δ(r)∝n(r) is confirmed throughout and exhibits an electron–dopant interaction energy J* = 145 meV·nm². In addition, these observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential.

  5. CHEMICAL AND PHYSICAL CONDITIONS IN MOLECULAR CLOUD CORE DC 000.4-19.5 (SL42) IN CORONA AUSTRALIS

    SciTech Connect (OSTI)

    Hardegree-Ullman, E.; Whittet, D. C. B.; Harju, J.; Juvela, M.; Sipilae, O.; Hotzel, S.

    2013-01-20

    Chemical reactions in starless molecular clouds are heavily dependent on interactions between gas phase material and solid phase dust and ices. We have observed the abundance and distribution of molecular gases in the cold, starless core DC 000.4-19.5 (SL42) in Corona Australis using data from the Swedish ESO Submillimeter Telescope. We present column density maps determined from measurements of C{sup 18}O (J = 2-1, 1-0) and N{sub 2}H{sup +} (J = 1-0) emission features. Herschel data of the same region allow a direct comparison to the dust component of the cloud core and provide evidence for gas phase depletion of CO at the highest extinctions. The dust color temperature in the core calculated from Herschel maps ranges from roughly 10.7 to 14.0 K. This range agrees with the previous determinations from Infrared Space Observatory and Planck observations. The column density profile of the core can be fitted with a Plummer-like density distribution approaching n(r) {approx} r {sup -2} at large distances. The core structure deviates clearly from a critical Bonnor-Ebert sphere. Instead, the core appears to be gravitationally bound and to lack thermal and turbulent support against the pressure of the surrounding low-density material: it may therefore be in the process of slow contraction. We test two chemical models and find that a steady-state depletion model agrees with the observed C{sup 18}O column density profile and the observed N(C{sup 18}O) versus A{sub V} relationship.

  6. Stratified magnetically driven accretion-disk winds and their relations to jets

    SciTech Connect (OSTI)

    Fukumura, Keigo; Tombesi, Francesco; Kazanas, Demosthenes; Shrader, Chris; Contopoulos, Ioannis

    2014-01-10

    We explore the poloidal structure of two-dimensional magnetohydrodynamic (MHD) winds in relation to their potential association with the X-ray warm absorbers (WAs) and the highly ionized ultra-fast outflows (UFOs) in active galactic nuclei (AGNs), in a single unifying approach. We present the density n(r, ?), ionization parameter ?(r, ?), and velocity structure v(r, ?) of such ionized winds for typical values of their fluid-to-magnetic flux ratio, F, and specific angular momentum, H, for which wind solutions become super-Alfvnic. We explore the geometrical shape of winds for different values of these parameters and delineate the values that produce the widest and narrowest opening angles of these winds, quantities necessary in the determination of the statistics of AGN obscuration. We find that winds with smaller H show a poloidal geometry of narrower opening angles with their Alfvn surface at lower inclination angles and therefore they produce the highest line of sight (LoS) velocities for observers at higher latitudes with the respect to the disk plane. We further note a physical and spatial correlation between the X-ray WAs and UFOs that form along the same LoS to the observer but at different radii, r, and distinct values of n, ?, and v consistent with the latest spectroscopic data of radio-quiet Seyfert galaxies. We also show that, at least in the case of 3C 111, the winds' pressure is sufficient to contain the relativistic plasma responsible for its radio emission. Stratified MHD disk winds could therefore serve as a unique means to understand and unify the diverse AGN outflows.

  7. Effect of Divalent Cation Removal on the Structure of Gram-Negative Bacterial Outer Membrane Models

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

    Clifton, Luke A.; Skoda, Maximilian W. A.; Le Brun, Anton P.; Ciesielski, Filip; Kuzmenko, Ivan; Holt, Stephen A.; Lakey, Jeremy H.

    2014-12-09

    The Gram-negative bacterial outer membrane (GNB-OM) is asymmetric in its lipid composition with a phospholipid-rich inner leaflet and an outer leaflet predominantly composed of lipopolysaccharides (LPS). LPS are polyanionic molecules, with numerous phosphate groups present in the lipid A and core oligosaccharide regions. The repulsive forces due to accumulation of the negative charges are screened and bridged by the divalent cations (Mg2+ and Ca2+) that are known to be crucial for the integrity of the bacterial OM. Indeed, chelation of divalent cations is a well-established method to permeabilize Gram-negative bacteria such as Escherichia coli. Here, we use X-ray and neutronmore » reflectivity (XRR and NR, respectively) techniques to examine the role of calcium ions in the stability of a model GNB-OM. Using XRR we show that Ca2+ binds to the core region of the rough mutant LPS (RaLPS) films, producing more ordered structures in comparison to divalent cation free monolayers. Using recently developed solid-supported models of the GNB-OM, we study the effect of calcium removal on the asymmetry of DPPC:RaLPS bilayers. We show that without the charge screening effect of divalent cations, the LPS is forced to overcome the thermodynamically unfavorable energy barrier and flip across the hydrophobic bilayer to minimize the repulsive electrostatic forces, resulting in about 20% mixing of LPS and DPPC between the inner and outer bilayer leaflets. These results reveal for the first time the molecular details behind the well-known mechanism of outer membrane stabilization by divalent cations. This confirms the relevance of the asymmetric models for future studies of outer membrane stability and antibiotic penetration.« less

  8. Effect of Divalent Cation Removal on the Structure of Gram-Negative Bacterial Outer Membrane Models

    SciTech Connect (OSTI)

    Clifton, Luke A.; Skoda, Maximilian W. A.; Le Brun, Anton P.; Ciesielski, Filip; Kuzmenko, Ivan; Holt, Stephen A.; Lakey, Jeremy H.

    2014-12-09

    The Gram-negative bacterial outer membrane (GNB-OM) is asymmetric in its lipid composition with a phospholipid-rich inner leaflet and an outer leaflet predominantly composed of lipopolysaccharides (LPS). LPS are polyanionic molecules, with numerous phosphate groups present in the lipid A and core oligosaccharide regions. The repulsive forces due to accumulation of the negative charges are screened and bridged by the divalent cations (Mg2+ and Ca2+) that are known to be crucial for the integrity of the bacterial OM. Indeed, chelation of divalent cations is a well-established method to permeabilize Gram-negative bacteria such as Escherichia coli. Here, we use X-ray and neutron reflectivity (XRR and NR, respectively) techniques to examine the role of calcium ions in the stability of a model GNB-OM. Using XRR we show that Ca2+ binds to the core region of the rough mutant LPS (RaLPS) films, producing more ordered structures in comparison to divalent cation free monolayers. Using recently developed solid-supported models of the GNB-OM, we study the effect of calcium removal on the asymmetry of DPPC:RaLPS bilayers. We show that without the charge screening effect of divalent cations, the LPS is forced to overcome the thermodynamically unfavorable energy barrier and flip across the hydrophobic bilayer to minimize the repulsive electrostatic forces, resulting in about 20% mixing of LPS and DPPC between the inner and outer bilayer leaflets. These results reveal for the first time the molecular details behind the well-known mechanism of outer membrane stabilization by divalent cations. This confirms the relevance of the asymmetric models for future studies of outer membrane stability and antibiotic penetration.

  9. Improving in vitro Sertoli cell/gonocyte co-culture model for assessing male reproductive toxicity: Lessons learned from comparisons of cytotoxicity versus genomic responses to phthalates

    SciTech Connect (OSTI)

    Yu Xiaozhong; Hong, Sung Woo; Moreira, Estefania G.; Faustman, Elaine M.

    2009-09-15

    Gonocytes exist in the neonatal testis and represent a transient population of male germ-line stem cells. It has been shown that stem cell self-renewal and progeny production is probably controlled by the neighboring differentiated cells and extracellular matrix (ECM) in vivo known as niches. Recently, we developed an in vitro three-dimensional (3D) Sertoli cell/gonocyte co-culture (SGC) model with ECM overlay, which creates an in vivo-like niche and supports germ-line stem cell functioning within a 3D environment. In this study, we applied morphological and cytotoxicity evaluations, as well as microarray-based gene expression to examine the effects of different phthalate esters (PE) on this model. Known in vivo male developmentally toxic PEs (DTPE) and developmentally non-toxic PEs (DNTPE) were evaluated. We observed that DTPE induced significantly greater dose-dependent morphological changes, a decrease in cell viability and an increase in cytotoxicity compared to those treated with DNTPE. Moreover, the gene expression was more greatly altered by DTPE than by DNTPE and non-supervised cluster analysis allowed the discrimination of DTPE from the DNTPE. Our systems-based GO-Quant analysis showed significant alterations in the gene pathways involved in cell cycle, phosphate transport and apoptosis regulation with DTPE but not with DNTPE treatment. Disruptions of steroidogenesis related-gene expression such as Star, Cyp19a1, Hsd17b8, and Nr4a3 were observed in the DTPE group, but not in the DNTPE group. In summary, our observation on cell viability, cytotoxicity, and microarray-based gene expression analysis induced by PEs demonstrate that our in vitro 3D-SGC system mimicked in vivo responses for PEs and suggests that the 3D-SGC system might be useful in identifying developmental reproductive toxicants.

  10. Validation of New Process Models for Large Injection-Molded Long-Fiber Thermoplastic Composite Structures

    SciTech Connect (OSTI)

    Nguyen, Ba Nghiep; Jin, Xiaoshi; Wang, Jin; Kunc, Vlastimil; Tucker III, Charles L.

    2012-02-23

    This report describes the work conducted under the CRADA Nr. PNNL/304 between Battelle PNNL and Autodesk whose objective is to validate the new process models developed under the previous CRADA for large injection-molded LFT composite structures. To this end, the ARD-RSC and fiber length attrition models implemented in the 2013 research version of Moldflow was used to simulate the injection molding of 600-mm x 600-mm x 3-mm plaques from 40% glass/polypropylene (Dow Chemical DLGF9411.00) and 40% glass/polyamide 6,6 (DuPont Zytel 75LG40HSL BK031) materials. The injection molding was performed by Injection Technologies, Inc. at Windsor, Ontario (under a subcontract by Oak Ridge National Laboratory, ORNL) using the mold offered by the Automotive Composite Consortium (ACC). Two fill speeds under the same back pressure were used to produce plaques under slow-fill and fast-fill conditions. Also, two gating options were used to achieve the following desired flow patterns: flows in edge-gated plaques and in center-gated plaques. After molding, ORNL performed measurements of fiber orientation and length distributions for process model validations. The structure of this report is as follows. After the Introduction (Section 1), Section 2 provides a summary of the ARD-RSC and fiber length attrition models. A summary of model implementations in the latest research version of Moldflow is given in Section 3. Section 4 provides the key processing conditions and parameters for molding of the ACC plaques. The validations of the ARD-RSC and fiber length attrition models are presented and discussed in Section 5. The conclusions will be drawn in Section 6.

  11. Modeling hot gas flow in the low-luminosity active galactic nucleus of NGC 3115

    SciTech Connect (OSTI)

    Shcherbakov, Roman V.; Reynolds, Christopher S.; Wong, Ka-Wah; Irwin, Jimmy A.

    2014-02-20

    Based on the dynamical black hole (BH) mass estimates, NGC 3115 hosts the closest billion solar mass BH. Deep studies of the center revealed a very underluminous active galactic nucleus (AGN) immersed in an old massive nuclear star cluster. Recent 1 Ms Chandra X-ray visionary project observations of the NGC 3115 nucleus resolved hot tenuous gas, which fuels the AGN. In this paper we connect the processes in the nuclear star cluster with the feeding of the supermassive BH. We model the hot gas flow sustained by the injection of matter and energy from the stars and supernova explosions. We incorporate electron heat conduction as the small-scale feedback mechanism, the gravitational pull of the stellar mass, cooling, and Coulomb collisions. Fitting simulated X-ray emission to the spatially and spectrally resolved observed data, we find the best-fitting solutions with ?{sup 2}/dof = 1.00 for dof = 236 both with and without conduction. The radial modeling favors a low BH mass <1.3 10{sup 9} M {sub ?}. The best-fitting supernova rate and the best-fitting mass injection rate are consistent with their expected values. The stagnation point is at r {sub st} ? 1'', so that most of the gas, including the gas at a Bondi radius r{sub B} = 2''-4'', outflows from the region. We put an upper limit on the accretion rate at 2 10{sup 3} M {sub ?} yr{sup 1}. We find a shallow density profile n?r {sup ?} with ? ? 1 over a large dynamic range. This density profile is determined in the feeding region 0.''5-10'' as an interplay of four processes and effects: (1) the radius-dependent mass injection, (2) the effect of the galactic gravitational potential, (3) the accretion flow onset at r ? 1'', and (4) the outflow at r ? 1''. The gas temperature is close to the virial temperature T{sub v} at any radius.

  12. METAL ABUNDANCES, RADIAL VELOCITIES, AND OTHER PHYSICAL CHARACTERISTICS FOR THE RR LYRAE STARS IN THE KEPLER FIELD

    SciTech Connect (OSTI)

    Nemec, James M.; Cohen, Judith G.; Sesar, Branimir; Ripepi, Vincenzo; Derekas, Aliz; Moskalik, Pawel; Chadid, Merieme; Bruntt, Hans E-mail: jmn@isr.bc.ca E-mail: bsesar@astro.caltech.edu E-mail: derekas@konkoly.hu E-mail: chadid@marseille.fr

    2013-08-20

    Spectroscopic iron-to-hydrogen ratios, radial velocities, atmospheric parameters, and new photometric analyses are presented for 41 RR Lyrae stars (and one probable high-amplitude {delta} Sct star) located in the field-of-view of the Kepler space telescope. Thirty-seven of the RR Lyrae stars are fundamental-mode pulsators (i.e., RRab stars) of which sixteen exhibit the Blazhko effect. Four of the stars are multiperiodic RRc pulsators oscillating primarily in the first-overtone mode. Spectroscopic [Fe/H] values for the 34 stars for which we were able to derive estimates range from -2.54 {+-} 0.13 (NR Lyr) to -0.05 {+-} 0.13 dex (V784 Cyg), and for the 19 Kepler-field non-Blazhko stars studied by Nemec et al. the abundances agree will with their photometric [Fe/H] values. Four non-Blazhko RR Lyrae stars that they identified as metal-rich (KIC 6100702, V2470 Cyg, V782 Cyg and V784 Cyg) are confirmed as such, and four additional stars (V839 Cyg, KIC 5520878, KIC 8832417, KIC 3868420) are also shown here to be metal-rich. Five of the non-Blazhko RRab stars are found to be more metal-rich than [Fe/H] {approx}-0.9 dex while all of the 16 Blazhko stars are more metal-poor than this value. New P-{phi}{sub 31}{sup s}-[Fe/H] relationships are derived based on {approx}970 days of quasi-continuous high-precision Q0-Q11 long- and short-cadence Kepler photometry. With the exception of some Blazhko stars, the spectroscopic and photometric [Fe/H] values are in good agreement. Several stars with unique photometric characteristics are identified, including a Blazhko variable with the smallest known amplitude and frequency modulations (V838 Cyg)

  13. Deep sequencing of the Camellia sinensis transcriptome revealed candidate genes for major metabolic pathways of tea-specific compounds

    SciTech Connect (OSTI)

    Shi, CY; Yang, H; Wei, CL; Yu, O; Zhang, ZZ; Sun, J; Wan, XC

    2011-01-01

    Tea is one of the most popular non-alcoholic beverages worldwide. However, the tea plant, Camellia sinensis, is difficult to culture in vitro, to transform, and has a large genome, rendering little genomic information available. Recent advances in large-scale RNA sequencing (RNA-seq) provide a fast, cost-effective, and reliable approach to generate large expression datasets for functional genomic analysis, which is especially suitable for non-model species with un-sequenced genomes. Using high-throughput Illumina RNA-seq, the transcriptome from poly (A){sup +} RNA of C. sinensis was analyzed at an unprecedented depth (2.59 gigabase pairs). Approximate 34.5 million reads were obtained, trimmed, and assembled into 127,094 unigenes, with an average length of 355 bp and an N50 of 506 bp, which consisted of 788 contig clusters and 126,306 singletons. This number of unigenes was 10-fold higher than existing C. sinensis sequences deposited in GenBank (as of August 2010). Sequence similarity analyses against six public databases (Uniprot, NR and COGs at NCBI, Pfam, InterPro and KEGG) found 55,088 unigenes that could be annotated with gene descriptions, conserved protein domains, or gene ontology terms. Some of the unigenes were assigned to putative metabolic pathways. Targeted searches using these annotations identified the majority of genes associated with several primary metabolic pathways and natural product pathways that are important to tea quality, such as flavonoid, theanine and caffeine biosynthesis pathways. Novel candidate genes of these secondary pathways were discovered. Comparisons with four previously prepared cDNA libraries revealed that this transcriptome dataset has both a high degree of consistency with previous EST data and an approximate 20 times increase in coverage. Thirteen unigenes related to theanine and flavonoid synthesis were validated. Their expression patterns in different organs of the tea plant were analyzed by RT-PCR and quantitative real

  14. P3HT-b-PS Copolymers as P3HT/PCBM Interfacial Compatibilizers for High Efficiency Photovoltaics

    SciTech Connect (OSTI)

    Sun, Zhenzhong; Xiao, Kai; Yu, Xiang; Hong, Kunlun; Keum, Jong Kahk; Browning, Jim; Ivanov, Ilia N; Chen, Jihua; Alonzo Calderon, Jose E; Sumpter, Bobby G; Payzant, E Andrew; Rouleau, Christopher M; Geohegan, David B

    2011-01-01

    To control the donor-acceptor phase separation for more efficient organic bulk heterojunction photovoltaic cells, poly(3-hexylthiophene)-block-polystyrene (P3HT-b-PS) diblock copolymer was added to serve as a compatibilizer in a P3HT/ [6,6]-phenyl-C61-butyric acid methyl ester fullerene derivative (PCBM) blend. An addition of 5 wt% of P3HT-b-PS copolymer in the P3HT/PCBM blend improved the power-conversion efficiency from 3.3% to 4.1% due to an enhancement of both the short-circuit current density and fill factor compared to that of a pristine P3HT/PCBM solar cell. Grazing incidence x-ray scattering (GIXS), absorption spectroscopy and carrier mobility studies reveal that the crystallinity and orientation of P3HT were improved, thereby enhancing hole transport in the P3HT polymer, and leading to a better balance between the electron and hole mobilities in the P3HT/PCBM active layer. Neutron reflectometry (NR) experiments demonstrate that a distinct scattering length density profile shows the highest PCBM concentration in the middle layer region and a more compact and homogeneous layer, presumably due to an increase in miscibility of P3HT and PCBM driven by the copolymer compatibilizer, while adding 5 wt% of P3HT-b-PS copolymer in the P3HT/PCBM blend. Quantum density functional theory calculations show that the P3HT-b-PS additive tends to promote microphase segregation, with the PCBM attracted to the PS block, and the P3HT stacking onto the P3HT block, which presumably leads to improvements in long-range crystallinity , consistent with the GIXS findings. Overall, the results for P3HT-b-PS copolymer in a P3HT/PCBM blend demonstrate that tailored block copolymers can act as an effective compatibilizer in blended systems to further improve solar cell performance

  15. An in vitro investigation of endocrine disrupting effects of the mycotoxin alternariol

    SciTech Connect (OSTI)

    Frizzell, Caroline; Ndossi, Doreen; Kalayou, Shewit; Eriksen, Gunnar S.; Verhaegen, Steven; Srlie, Morten; Elliott, Christopher T.; Ropstad, Erik; Connolly, Lisa

    2013-08-15

    Alternariol (AOH) is a mycotoxin commonly produced by Alternaria alternata on a wide range of foods. Few studies to date have been performed to evaluate the effects of AOH on endocrine activity. The present study makes use of in vitro mammalian cellular based assays and gene expression to investigate the ability of AOH to act as an endocrine disruptor by various modes of action. Reporter gene assays (RGAs), incorporating natural steroid hormone receptors for oestrogens, androgens, progestagens and glucocorticoids were used to identify endocrine disruption at the level of nuclear receptor transcriptional activity, and the H295R steroidogenesis assay was used to assess endocrine disruption at the level of gene expression and steroid hormone production. AOH exhibited a weak oestrogenic response when tested in the oestrogen responsive RGA and binding of progesterone to the progestagen receptor was shown to be synergistically increased in the presence of AOH. H295R cells when exposed to 0.11000 ng/ml AOH, did not cause a significant change in testosterone and cortisol hormones but exposure to 1000 ng/ml (3.87 ?M) AOH resulted in a significant increase in estradiol and progesterone production. In the gene expression study following exposure to 1000 ng/ml (3.87 ?M) AOH, only one gene NR0B1 was down-regulated, whereas expression of mRNA for CYP1A1, MC2R, HSD3B2, CYP17, CYP21, CYP11B2 and CYP19 was up-regulated. Expression of the other genes investigated did not change significantly. In conclusion AOH is a weak oestrogenic mycotoxin that also has the ability to interfere with the steroidogenesis pathway. - Highlights: Alternariol was investigated for endocrine disrupting activity. Reporter gene assays and the H295R steroidogenesis assay have been used. An oestrogenic effect of alternariol was observed. This can lead to an increase in expression of the progesterone receptor. Alternariol is capable of modulating hormone production and gene expression.

  16. Strategic Basis for License Application Planning for a Potential Yucca Mountain Repository

    SciTech Connect (OSTI)

    Newberry, C. M.; Brocoum, S. J.; Gamble, R. P.; Murray, R. C.; Cline, M.

    2002-02-26

    If Yucca Mountain, Nevada is designated as the site for development of a geologic repository for disposal of spent nuclear fuel and high-level radioactive waste, the Department of Energy (DOE) must obtain Nuclear Regulatory Commission (NRC) approval first for repository construction, then for an operating license, and, eventually, for repository closure and decommissioning. The licensing criteria defined in Code of Federal Regulations, Title 10, Part 63 (10 CFR Part 63) establish the basis for these NRC decisions. Submittal of a license application (LA) to the NRC for authorization to construct a repository at the Yucca Mountain site is, at this point, only a potential future action by the DOE. The policy process defined in the Nuclear Waste Policy Act (NWPA), as amended, for recommendation and designation of Yucca Mountain as a repository site makes it difficult to predict whether or when the site might be designated. The DOE may only submit a LA to the NRC if the site designation takes effect. In spite of this uncertainty, the DOE must take prudent and appropriate action now, and over the next several years, to prepare for development and timely submittal of a LA. This is particularly true given the need for the DOE to develop, load, and certify the operation of its electronic information system to provide access to its relevant records as part of the licensing support network (LSN) in compliance with NRC requirements six months prior to LA submittal. The DOE must also develop a LA, which is a substantially different document from those developed to support a Site Recommendation (SR) decision. The LA must satisfy NRC licensing criteria and content requirements, and address the acceptance criteria defined by the NRC in its forthcoming Yucca Mountain Review Plan (YMRP). The content of the LA must be adequate to facilitate NRC acceptance and docketing for review, and the LA and its supporting documents must provide the documented basis for the NR C findings required

  17. Laser schlieren deflectometry for temperature analysis of filamentary non-thermal atmospheric pressure plasma

    SciTech Connect (OSTI)

    Schaefer, J.; Foest, R.; Reuter, S.; Weltmann, K.-D.; Kewitz, T.; Sperka, J.

    2012-10-15

    The heat convection generated by micro filaments of a self-organized non-thermal atmospheric pressure plasma jet in Ar is characterized by employing laser schlieren deflectometry (LSD). It is demonstrated as a proof of principle, that the spatial and temporal changes of the refractive index n in the optical beam path related to the neutral gas temperature of the plasma jet can be monitored and evaluated simultaneously. The refraction of a laser beam in a high gradient field of n(r) with cylindrical symmetry is given for a general real refraction index profile. However, the usually applied Abel approach represents an ill-posed problem and in particular for this plasma configuration. A simple analytical model is proposed in order to minimize the statistical error. Based on that, the temperature profile, specifically the absolute temperature in the filament core, the FWHM, and the frequencies of the collective filament dynamics are obtained for non-stationary conditions. For a gas temperature of 700 K inside the filament, the presented model predicts maximum deflection angles of the laser beam of 0.3 mrad which is in accordance to the experimental results obtained with LSD. Furthermore, the experimentally obtained FWHM of the temperature profile produced by the filament at the end of capillary is (1.5 {+-} 0.2) mm, which is about 10 times wider than the visual radius of the filament. The obtained maximum temperature in the effluent is (450 {+-} 30) K and is in consistence with results of other techniques. The study demonstrates that LSD represents a useful low-cost method for monitoring the spatiotemporal behaviour of microdischarges and allows to uncover their dynamic characteristics, e.g., the temperature profile even for challenging diagnostic conditions such as moving thin discharge filaments. The method is not restricted to the miniaturized and self-organized plasma studied here. Instead, it can be readily applied to other configurations that produce measurable

  18. Amino acid modified Ni catalyst exhibits reversible H2 oxidation/production over a broad pH range at elevated temperatures

    SciTech Connect (OSTI)

    Dutta, Arnab; DuBois, Daniel L.; Roberts, John A.; Shaw, Wendy J.

    2014-11-18

    Hydrogenases interconvert H2 and protons at high rates and with high energy efficiencies, providing inspiration for the development of molecular catalysts. Studies designed to determine how the protein scaffold can influence a catalytically active site has led to the synthesis of amino acid derivatives, [Ni(PCy2NAmino acid2)2]2+ (CyAA), of [Ni(PR2NR'2)2]2+ complexes. It is shown that these CyAA derivatives can catalyze fully reversible H2 production/oxidation, a feature reminiscent of enzymes. The reversibility is achieved in acidic aqueous solutions, 0.25% H2/Ar, and elevated temperatures (tested up to 348 K) for the glycine (CyGly), arginine (CyArg), and arginine methyl ester (CyArgOMe) derivatives. As expected for a reversible process, the activity is dependent upon H2 and proton concentration. CyArg is significantly faster in both directions than the other two derivatives (~300 s-1 H2 production and 20 s-1 H2 oxidation; pH=1, 348 K). The significantly slower rates for CyArgOMe (35 s-1 production and 7 s-1 oxidation) compared to CyArg suggests an important role for the COOH group during catalysis. That CyArg is faster than CyGly (3 s-1 production and 4 s-1 oxidation under the same conditions) suggests that the additional structural features imparted by the guanidinium groups facilitate fast and reversible H2 addition/release. These observations demonstrate that appended, outer coordination sphere amino acids work in synergy with the active site and can play an equally important role for synthetic molecular electrocatalysts as the protein scaffold does for redox active enzymes. This work was funded by the Office of Science Early Career Research Program through the US DOE, BES (AD, WJS), and the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US DOE, BES (DLD, JASR). PNNL is operated by Battelle for the US DOE.

  19. Evaluation of nitrogen-rich macrocyclic ligands for the chelation of therapeutic bismuth radioisotopes

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

    Wilson, Justin J.; Ferrier, Maryline; Radchenko, Valery; Maassen, Joel R.; Engle, Jonathan W.; Batista, Enrique R.; Martin, Richard L.; Nortier, Francois M.; Fassbender, Michael E.; John, Kevin D.; et al

    2015-05-01

    The use of α-emitting isotopes for radionuclide therapy is a promising treatment strategy for small micro-metastatic disease. The radioisotope ²¹³Bi is a nuclide that has found substantial use for targeted α-therapy (TAT). The relatively unexplored aqueous chemistry of Bi³⁺, however, hinders the development of bifunctional chelating agents that can successfully deliver these Bi radioisotopes to the tumor cells. Here, a novel series of nitrogen-rich macrocyclic ligands is explored for their potential use as Bi-selective chelating agents. The ligands, 1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetraazacyclododecane (Lpy), 1,4,7,10-tetrakis(3-pyridazylmethyl)-1,4,7,10-tetraazacyclododecane (Lpyd), 1,4,7,10-tetrakis(4-pyrimidylmethyl)-1,4,7,10-tetraazacyclododecane (Lpyr), and 1,4,7,10-tetrakis(2-pyrazinylmethyl)-1,4,7,10-tetraazacyclododecane (Lpz), were prepared by a previously reported method and investigated here for their abilitiesmore » to bind Bi radioisotopes. The commercially available and commonly used ligands 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) and N-[(R)-2-amino-3-(p-isothiocyanato-phenyl)propyl]-trans-(S,S)- cyclohexane-1,2-diamine-N,N,N',N",N"-pentaacetic acid (CHX-A''-DTPA) were also explored for comparative purposes. Radio-thin-layer chromatography (TLC) was used to measure the binding kinetics and stabilities of the complexes formed. The long-lived isotope, ²⁰⁷Bi (t1/2 = 32 years), was used for these studies. Density functional theory (DFT) calculations were also employed to probe the ligand interactions with Bi³⁺ and the generator parent ion Ac³⁺.In contrast to DOTA and CHX-A''-DTPA, these nitrogen-rich macrocycles selectively chelate Bi³⁺ in the presence of the parent isotope Ac³⁺. Among the four tested, Lpy was found to exhibit optimal Bi³⁺-binding kinetics and complex stability. Lpy complexes Bi³⁺ more rapidly than DOTA, yet the resulting complexes are of similar stability. DFT

  20. Ortho-aminoazotoluene activates mouse constitutive androstane receptor (mCAR) and increases expression of mCAR target genes

    SciTech Connect (OSTI)

    Smetanina, Mariya A.; Pakharukova, Mariya Y.; Kurinna, Svitlana M.; Dong, Bingning; Hernandez, Juan P.; Moore, David D.; Merkulova, Tatyana I.

    2011-08-15

    2'-3-dimethyl-4-aminoazobenzene (ortho-aminoazotoluene, OAT) is an azo dye and a rodent carcinogen that has been evaluated by the International Agency for Research on Cancer (IARC) as a possible (class 2B) human carcinogen. Its mechanism of action remains unclear. We examined the role of the xenobiotic receptor Constitutive Androstane Receptor (CAR, NR1I3) as a mediator of the effects of OAT. We found that OAT increases mouse CAR (mCAR) transactivation in a dose-dependent manner. This effect is specific because another closely related azo dye, 3'-methyl-4-dimethyl-aminoazobenzene (3'MeDAB), did not activate mCAR. Real-time Q-PCR analysis in wild-type C57BL/6 mice revealed that OAT induces the hepatic mRNA expression of the following CAR target genes: Cyp2b10, Cyp2c29, Cyp3a11, Ugt1a1, Mrp4, Mrp2 and c-Myc. CAR-null (Car{sup -/-}) mice showed no increased expression of these genes following OAT treatment, demonstrating that CAR is required for their OAT dependent induction. The OAT-induced CAR-dependent increase of Cyp2b10 and c-Myc expression was confirmed by Western blotting. Immunohistochemistry analysis of wild-type and Car{sup -/-} livers showed that OAT did not acutely induce hepatocyte proliferation, but at much later time points showed an unexpected CAR-dependent proliferative response. These studies demonstrate that mCAR is an OAT xenosensor, and indicate that at least some of the biological effects of this compound are mediated by this nuclear receptor. - Highlights: > The azo dye and mouse carcinogen OAT is a very effective mCAR activator. > OAT increases mCAR transactivation in a dose-dependent manner. > OAT CAR-dependently increases the expression of a specific subset of CAR target genes. > OAT induces an unexpectedly deferred, but CAR-dependent hepatocyte proliferation.

  1. Group 4 Metalloporphyrin diolato Complexes and Catalytic Application of Metalloporphyrins and Related Transition Metal Complexes

    SciTech Connect (OSTI)

    Guodong Du

    2004-12-19

    In this work, the first examples of group 4 metalloporphyrin 1,2-diolato complexes were synthesized through a number of strategies. In general, treatment of imido metalloporphyrin complexes, (TTP)M=NR, (M = Ti, Zr, Hf), with vicinal diols led to the formation of a series of diolato complexes. Alternatively, the chelating pinacolate complexes could be prepared by metathesis of (TTP)MCl{sub 2} (M = Ti, Hf) with disodium pinacolate. These complexes were found to undergo C-C cleavage reactions to produce organic carbonyl compounds. For titanium porphyrins, treatment of a titanium(II) alkyne adduct, (TTP)Ti({eta}{sup 2}-PhC{triple_bond}CPh), with aromatic aldehydes or aryl ketones resulted in reductive coupling of the carbonyl groups to produce the corresponding diolato complexes. Aliphatic aldehydes or ketones were not reactive towards (TTP)Ti({eta}{sup 2}-PhC{triple_bond}CPh). However, these carbonyl compounds could be incorporated into a diolato complex on reaction with a reactive precursor, (TTP)Ti[O(Ph){sub 2}C(Ph){sub 2}O] to provide unsymmetrical diolato complexes via cross coupling reactions. In addition, an enediolato complex (TTP)Ti(OCPhCPhO) was obtained from the reaction of (TTP)Ti({eta}{sup 2}-PhC{triple_bond}CPh) with benzoin. Titanium porphyrin diolato complexes were found to be intermediates in the (TTP)Ti=O-catalyzed cleavage reactions of vicinal diols, in which atmospheric oxygen was the oxidant. Furthermore, (TTP)Ti=O was capable of catalyzing the oxidation of benzyl alcohol and {alpha}-hydroxy ketones to benzaldehyde and {alpha}-diketones, respectively. Other high valent metalloporphyrin complexes also can catalyze the oxidative diol cleavage and the benzyl alcohol oxidation reactions with dioxygen. A comparison of Ti(IV) and Sn(IV) porphyrin chemistry was undertaken. While chelated diolato complexes were invariably obtained for titanium porphyrins on treatment with 1,2-diols, the reaction of vicinal diols with tin porphyrins gave a number of

  2. End Calorimeter Warm Tube Heater

    SciTech Connect (OSTI)

    Primdahl, K.; /Fermilab

    1991-08-06

    The Tevatron accelerator beam tube must pass through the End Calorimeter cryostats of the D-Zero Collider Detector. Furthermore, the End Calorimeter cryostats must be allowed to roll back forty inches without interruption of the vacuum system; hence, the Tev tube must slide through the End Calorimeter cryostat as it is rolled back. The Tev pass through the End Calorimeter can actually be thought of as a cluster of concentric tubes: Tev tube, warm (vacuum vessel) tube, IS layers of superinsulation, cold tube (argon vessel), and Inner Hadronic center support tube. M. Foley generated an ANSYS model to study the heat load. to the cryostat. during collider physics studies; that is, without operation of the heater. A sketch of the model is included in the appendix. The vacuum space and superinsulation was modeled as a thermal solid, with conductivity derived from tests performed at Fermilab. An additional estimate was done. by this author, using data supplied by NR-2. a superinsulation manufacturer. The ANSYS result and hand calculation are in close agreement. The ANSYS model was modified. by this author. to incorporate the effect of the heater. Whereas the earlier model studied steady state operation only. the revised model considers the heater-off steady state mode as the initial condition. then performs a transient analysis with a final load step for time tending towards infinity. Results show the thermal gradient as a function of time and applied voltage. It should be noted that M. Foley's model was generated for one half the warm tube. implying the tube to be symmetric. In reality. the downstream connection (relative to the collision point) attachment to the vacuum shell is via several convolutions of a 0.020-inch wall bellows; hence. a nearly adiabatic boundary condition. Accordingly. the results reported in the table reflect extrapolation of the curves to the downstream end of the tube. Using results from the ANSYS analysis, that is, tube temperature and

  3. Evaluation of Concepts for Mulitiple Application Thermal Reactor for Irradiation eXperiments (MATRIX)

    SciTech Connect (OSTI)

    Michael A. Pope; Hans D. Gougar; John M. Ryskamp

    2013-09-01

    The Advanced Test Reactor (ATR) is a high power density test reactor specializing in fuel and materials irradiation. For more than 45 years, the ATR has provided irradiations of materials and fuels testing along with radioisotope production. Originally operated primarily in support of the Offcie of Naval Reactors (NR), the mission has gradually expanded to cater to other customers, such as the DOE Office of Nuclear Energy (NE), private industry, and universities. Unforeseen circumstances may lead to the decommissioning of ATR, thus leaving the U.S. Government without a large-scale materials irradiation capability to meet the needs of its nuclear energy and naval reactor missions. In anticipation of this possibility, work was performed under the Laboratory Directed Research and Development (LDRD) program to investigate test reactor concepts that could satisfy the current missions of the ATR along with an expanded set of secondary missions. This work can be viewed as an update to a project from the 1990’s called the Broad Application Test Reactor (BATR). In FY 2012, a survey of anticipated customer needs was performed, followed by analysis of the original BATR concepts with fuel changed to low-enriched uranium. Departing from these original BATR designs, four concepts were identified for further analysis in FY2013. The project informally adopted the acronym MATRIX (Multiple-Application Thermal Reactor for Irradiation eXperiments). This report discusses analysis of the four MATRIX concepts along with a number of variations on these main concepts. Designs were evaluated based on their satisfaction of anticipated customer requirements and the “Cylindrical” variant was selected for further analysis of options. This downselection should be considered preliminary and the backup alternatives should include the other three main designs. The baseline Cylindrical MATRIX design is expected to be capable of higher burnup than the ATR (or longer cycle length given a

  4. Advanced Test Reactor Core Modeling Update Project Annual Report for Fiscal Year 2012

    SciTech Connect (OSTI)

    David W. Nigg, Principal Investigator; Kevin A. Steuhm, Project Manager

    2012-09-01

    depletion HELIOS calculations for all ATR cycles since August 2009, Cycle 145A through Cycle 151B, was successfully completed during 2012. This major effort supported a decision late in the year to proceed with the phased incorporation of the HELIOS methodology into the ATR Core Safety Analysis Package (CSAP) preparation process, in parallel with the established PDQ-based methodology, beginning late in Fiscal Year 2012. Acquisition of the advanced SERPENT (VTT-Finland) and MC21 (DOE-NR) Monte Carlo stochastic neutronics simulation codes was also initiated during the year and some initial applications of SERPENT to ATRC experiment analysis were demonstrated. These two new codes will offer significant additional capability, including the possibility of full-3D Monte Carlo fuel management support capabilities for the ATR at some point in the future. Finally, a capability for rigorous sensitivity analysis and uncertainty quantification based on the TSUNAMI system has been implemented and initial computational results have been obtained. This capability will have many applications as a tool for understanding the margins of uncertainty in the new models as well as for validation experiment design and interpretation.

  5. Synthesis of main group, rare-earth, and d{sup 0} metal complexes containing beta-hydrogen

    SciTech Connect (OSTI)

    Yan, Ka King

    2013-05-02

    {sub 2}(NR{sub 2})ZrX (X = Cl, I, OTf; R = t-Bu, SiHMe{sub 2}) and lithium hydrosilazide ultimately afford hydride products Cp{sub 2}(NR{sub 2})ZrH that suggest unusual β-hydrogen elimination processes. A likely intermediate in one of these reactions, Cp{sub 2}Zr[N(SiHMe{sub 2})t-Bu][N(SiHMe{sub 2}){sub 2}], is isolated under controlled synthetic conditions. Addition of alkali metal salts to this zirconium hydrosilazide compound produces the corresponding zirconium hydride. However as conditions are varied, a number of other pathways are also accessible, including C-H/Si-H dehydrocoupling, γ-abstraction of a CH, and β-abstraction of a SiH. Our observations suggest that the conversion of (hydrosilazido)zirconocene to zirconium hydride does not follow the classical four-center β- elimination mechanism. Elimination and abstraction reactions dominate the chemistry of ligands containing β- hydrogen. In contrast, Cp{sub 2}Zr{N(SiHMe{sub 2}){sub 2}}H and Cp{sub 2}Zr{N(SiHMe{sub 2}){sub 2}}Me undergo selective γ-CH bond activation to yield the azasilazirconacycle Cp{sub 2Zr}{κ{sup 2}-N(SiHMe{sub 2})SiHMeCH{sub 2}}, even though there are reactive β-hydrogen available for abstraction. The β-SiH groups in metallacycle provide access to new pathways for sixteen-electron zirconium alkyl compounds, in which Cp{sub 2}Zr{κ{sup 2}-N(SiHMe{sub 2})SiHMeCH{sub 2}} undergoes a rare σ-bond metathesis reaction with ethylene. The resulting vinyl intermediate undergoes β-hydrogen abstraction to reform ethylene and a silanimine zirconium species that reacts with ethylene to give a metallacyclopentane as the isolated product. The pendent β-SiH in metallocycle also reacts with paraformaldehyde through an uncatalyzed hydrosilylation to form an exocyclic methoxysilyl moiety, while the zirconium-carbon bond in metallocycle is surprisingly inert toward formaldehyde. Still, the Zr-C moiety in metallocycle is available for chemistry, and it interacts with the carbon monoxide and strong