National Library of Energy BETA

Sample records for bg bu cn

  1. Cn

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

    Cn 112 113 115 118 Periodic T able o f E lements 2 014 117 Fl 114 Lv 116 Super---Heavy N uclei, T heoreAcal C hallenges Witold Nazarewicz MSU/ORNL International Symposium on Superheavy Nuclei 2015Texas A&M University, March 31-April 2, 2015 * Science drivers (why should we care?) * Overview of the current situation in SHN/SHE theory (2-year progress report) * Extrapolations * Perspectives Two years after: TAMU Workshop, March 12-13, 2013 The Nuclear Landscape and the Big Questions (NAS

  2. BG Capital | Open Energy Information

    Open Energy Info (EERE)

    BG Capital Jump to: navigation, search Name: BG-Capital Place: Spain Zip: 8860 Product: BG-capital designs, installs and invests in PV medium scale (100-500kW) systems,...

  3. Solar BG | Open Energy Information

    Open Energy Info (EERE)

    BG - 1784 Sector: Wind energy Product: Bulgarian based company investing into hybrid wind-PV plants. References: Solar BG1 This article is a stub. You can help OpenEI by...

  4. Biomass Gas Electric LLC BG E | Open Energy Information

    Open Energy Info (EERE)

    Gas Electric LLC BG E Jump to: navigation, search Name: Biomass Gas & Electric LLC (BG&E) Place: Norcross, Georgia Zip: 30092 Sector: Biomass Product: Project developer...

  5. Haskel/BuTech/PPI

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

    Presentation For Argonne National Laboratory Haskel/BuTech/PPI Products * 100,000psi Liquid Pumps * 37,000psi Gas Boosters * 15,000psi Diaphragm Comp * 4,500psi Air Amplifiers * 150,000psi Valves, Fittings, and Tubing * 15,000psi Sub-Sea Valves (1" orifice) * Air Pilot Switches & Relief Valves Valves, Fittings & Tubing Pumps, Boosters, & Diaphragm Compressors & Systems Hydraulic Gas Booster Challenges * Global Material Regulations - KHK Japan recommends A286 & 316 SS

  6. SF6432-CN Construction

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

    ... prior to any attempts to enter a government site as shown ... SF 6432-CN Title: Standard Terms and Conditions for ... premises are subject to search. (e) Contractor will ...

  7. SF6432-CN

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

    ... prior to any attempts to enter a government site as shown ... premises are subject to search. (e) Contractor shall ... Control : SF 6432-CN Title: Standard Terms and Conditions ...

  8. Bu Sung: Noncompliance Determination (2015-SE-42007)

    Broader source: Energy.gov [DOE]

    DOE issued a Notice of Noncompliance Determination to Bu Sung America Corporation d/b/a Everest Refrigeration finding that basic model ESRF2, a commercial refrigerator-freezer does not comport with the energy conservation standards.

  9. SF6432-CN

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

    Department Release Date: 11/17/15 Page 1 of 28 Printed copies of this document are uncontrolled. Retrieve latest version electronically. SANDIA CORPORATION SF 6432-CN (11/2015) Section II STANDARD TERMS AND CONDITIONS FOR FIRM-FIXED PRICE COMMERCIAL CONSTRUCTION CONTRACTS THE FOLLOWING CLAUSES APPLY TO THIS CONTRACT AS INDICATED UNLESS SPECIFICALLY DELETED, OR EXCEPT TO THE EXTENT THEY ARE SPECIFICALLY SUPPLEMENTED OR AMENDED IN WRITING IN THE COVER PAGE OR SECTION I. (CTRL+CLICK ON A LINK BELOW

  10. SF6432-CN Construction

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

    7/31/13 Page 1 of 31 Printed copies of this document are uncontrolled. Retrieve latest version electronically. SANDIA CORPORATION SF 6432-CN (07/2013) Section II STANDARD TERMS AND CONDITIONS FOR FIRM-FIXED PRICE COMMERCIAL CONSTRUCTION CONTRACTS THE FOLLOWING CLAUSES APPLY TO THIS CONTRACT AS INDICATED UNLESS SPECIFICALLY DELETED, OR EXCEPT TO THE EXTENT THEY ARE SPECIFICALLY SUPPLEMENTED OR AMENDED IN WRITING IN THE COVER PAGE OR SECTION I. (CTRL+CLICK ON A LINK BELOW TO ADVANCE DIRECTLY TO

  11. Bu Sung: Order (2015-SE-42007) | Department of Energy

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

    Order (2015-SE-42007) Bu Sung: Order (2015-SE-42007) October 13, 2015 DOE ordered Bu Sung America Corporation to pay a $71,480 civil penalty after finding Bu Sung had manufactured and distributed in commerce in the U.S. at least 361 units of basic model ESRF2, a noncompliant commercial refrigerator-freezer. The Order adopted a Compromise Agreement, which reflected settlement terms between DOE and Bu Sung. Bu Sung: Order (2015-SE-42007) (123.64 KB) More Documents & Publications Bu Sung:

  12. CnLrJGD

    Office of Legacy Management (LM)

    l&o-1760 CnLrJGD 8CURCEN4%4UALLfCE!8SE Licenee Bo. c-3862 tnted: J. T. Baker Chemical Compfuq Phillipsburg, New Jersey Attention: Mr. Joseph L. MetcenQrf Osntlewn: Rvsunnt to the Attalc &orgy Act of 1954 au4 Section 40.21 of t& &&e of Federal Negulationr, Title 10 Control of &urea Matsrial, -Atomic !Znergy, Chapter 1, part40 - P me hereby llc need to nc lve poere of and title to up to one ld ogrem of urai~~ t t&SIG gradef for use slou R etndier on the pmparatlon of

  13. CN Solar Co Ltd | Open Energy Information

    Open Energy Info (EERE)

    CN Solar Co Ltd Jump to: navigation, search Name: CN Solar Co Ltd Place: Sangju, North Gyeongsang, Korea (Republic) Sector: Solar Product: Korean solar project developer....

  14. Bu Sung: Proposed Penalty (2015-SE-42007) | Department of Energy

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

    Proposed Penalty (2015-SE-42007) Bu Sung: Proposed Penalty (2015-SE-42007) September 29, 2015 DOE alleged in a Notice of Proposed Civil Penalty that Bu Sung America Corporation d/b/a Everest Refrigeration manufactured and distributed noncompliant commercial refrigerator-freezers in the U.S. Federal law subjects manufacturers and private labelers to civil penalties if those parties distribute in the U.S. products that do not meet applicable energy conservation standards. This civil penalty notice

  15. Example Program and Makefile for BG/Q | Argonne Leadership Computing

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

    Facility Overview of How to Compile and Link Example Program and Makefile for BG/Q How to Manage Threading bgclang Compiler Compiling and Linking FAQ Queueing & Running Jobs Data Transfer Debugging & Profiling Performance Tools & APIs Software & Libraries IBM References Cooley Policies Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] Example Program and Makefile for BG/Q

  16. BIG SANDY IDA ONEID A WILL IAM SBU RG BU RNIN G SPRIN GS WIN

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

    ... ASH BU RN C REEK HUNT ING CREEK RED BIRD C OALBED GREEN GROVE RPD-WAYNE-3 LOC UST HILL BU ... Division, Office of Oil and Gas, Energy Information Administration pursuant to ...

  17. Characterization of BG28 and KG3 filter glass for Drive Diagnostic Attenuators

    SciTech Connect (OSTI)

    Page, R H; Weiland, T; Folta, J

    2007-11-30

    BG28 and KG3 filter glasses were tested for use as attenuators in the NIF drive diagnostic (DrD) systems. Tests were performed in the Optical Sciences Laser facility with a 351 nm, 2-step, 3-nsec pulse at fluences ranging up to {approx} 1 J/cm{sup 2}. Single-shot measurements showed no solarization when the samples were allowed to relax for a week after exposure. KG3 filters exhibited no luminescence and no transient pulse distortion. BG28 filters luminesced appreciably and imposed a 'droop' (similar to 'square-pulse distortion') on the signals. The droop parameter is estimated at 0.50 {+-} 0.11 cm{sup 2}/J. Droop is explained in terms of known copper-doped-glass spectroscopy and kinetics (buildup of triplet-state populations, with excited-state absorption). Simulation of the distortion ({approx}1.6%) expected on a 1.8 MJ Haan pulse led to a minor redesign of the Drive Diagnostic with reduced fluence on the BG28 filters to reduce the droop distortion to 0.5%.

  18. Job Scheduling Policy for BG/Q Systems | Argonne Leadership Computing

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

    Facility Policy for BG/Q Systems Contents Mira Job Scheduling Mira Queues User Interface Backfill Queue INCITE/ALCC Overburn Policy Big Run Monday Cetus Job Scheduling Vesta Job Scheduling General Scheduling Guidelines System Maintenance Day Jobs on Hold Reservations Back to top Mira Job Scheduling queue layout Back to top Mira Queues User Queue Queue Nodes Wall-clock Time (hours) Maximum Running per User Maximum Queued Per User prod prod-short 512 - 4096 0 - ≤6 5 20 prod-long 512 - 4096

  19. Production of carrier-free H.sup.11 CN

    DOE Patents [OSTI]

    Christman, David R.; Finn, Ronald D.; Wolf, Alfred P.

    1978-01-01

    A method of synthesizing H.sup.11 CN involving the proton irradiation of N.sub.2 + H.sub.2 to produce a mixture of .sup.11 CH.sub.4 and NH.sub.3 followed by the reaction of .sup.11 CH.sub.4 and NH.sub.3 to produce H.sup.11 CN and the separation of carrier free H.sup.11 CN.

  20. SF6432-CN (02-02-12) Construction

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

    the SCR shall determine the extent that contract Control : SF 6432-CN Title: Standard Terms and Conditions for Firm-Fixed Price Commercial Construction Contracts Owner:...

  1. SF6432-CN (02-02-12) Construction

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

    ... Contractor shall submit a claim for and enter into good ... SF 6432-CN Title: Standard Terms and Conditions for ... premises are subject to search. (e) Contractor will ...

  2. GLADY CASSIT Y VANDALIA MURPHY CR EEK BU CKHN-CENT URY CLAY

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

    GLADY CASSIT Y VANDALIA MURPHY CR EEK BU CKHN-CENT URY CLAY GLENVILLE N MINNORA JARVISVILLE FAR MINGTON PH ILIPPI BELIN GT ON WAYN ESBUR G PR UNT Y GLENVILLE S CAVE RUN TAYLOR DRAIN ROSEDALE ST MPT-N RMNT-SHK WESTON-JAN E LEW SWN DL-WID EN VADIS STANL EY DEKALB UNION TALLM AN SVILL E ASPINALL-FIN ST ER ZOLLARSVILLE WILBU R RAMSEY HEATER S BR IDGEPORT-PRUNT YTOWN ALEXAND ER LILLY FORK SH ERMAN HIRAM ST FK-BLST N CK BU RNS CH APEL S BR WN -LUM BER PORT CON INGS PR ATT BOSWELL REVEL ELK C REEK

  3. Identification of a potential superhard compound ReCN

    SciTech Connect (OSTI)

    Fan, Xiaofeng; Li, M. M.; Singh, David J.; Jiang, Qing; Zheng, W. T.

    2015-01-24

    Here, we identify a new ternary compound, ReCN and characterize its properties including structural stability and indicators of hardness using first principles calculations. Furthermore, we find that there are two stable structures with space groups P63mc (HI) and P3m1 (HII), in which there are no C–C and N–N bonds. Both structures, H1 and III are elastically and dynamically stable. The electronic structures show that ReCN is a semiconductor, although the parent compounds, ReC2 and ReN2 are both metallic. ReCN is found to possess the outstanding mechanical properties with the large bulk modulus, shear modulus and excellent ideal strengths. Additionally, ReCN may perhaps be synthesized relatively easily because it becomes thermodynamic stable with respect to decomposition at very low pressures.

  4. Identification of a potential superhard compound ReCN

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

    Fan, Xiaofeng; Li, M. M.; Singh, David J.; Jiang, Qing; Zheng, W. T.

    2015-01-24

    Here, we identify a new ternary compound, ReCN and characterize its properties including structural stability and indicators of hardness using first principles calculations. Furthermore, we find that there are two stable structures with space groups P63mc (HI) and P3m1 (HII), in which there are no C–C and N–N bonds. Both structures, H1 and III are elastically and dynamically stable. The electronic structures show that ReCN is a semiconductor, although the parent compounds, ReC2 and ReN2 are both metallic. ReCN is found to possess the outstanding mechanical properties with the large bulk modulus, shear modulus and excellent ideal strengths. Additionally, ReCNmore » may perhaps be synthesized relatively easily because it becomes thermodynamic stable with respect to decomposition at very low pressures.« less

  5. BuD, a helixloophelix DNA-binding domain for genome modification

    SciTech Connect (OSTI)

    Stella, Stefano; Molina, Rafael; Lpez-Mndez, Blanca; Juillerat, Alexandre; Bertonati, Claudia; Daboussi, Fayza; Campos-Olivas, Ramon; Duchateau, Phillippe; Montoya, Guillermo

    2014-07-01

    Crystal structures of BurrH and the BurrHDNA complex are reported. DNA editing offers new possibilities in synthetic biology and biomedicine for modulation or modification of cellular functions to organisms. However, inaccuracy in this process may lead to genome damage. To address this important problem, a strategy allowing specific gene modification has been achieved through the addition, removal or exchange of DNA sequences using customized proteins and the endogenous DNA-repair machinery. Therefore, the engineering of specific proteinDNA interactions in protein scaffolds is key to providing toolkits for precise genome modification or regulation of gene expression. In a search for putative DNA-binding domains, BurrH, a protein that recognizes a 19 bp DNA target, was identified. Here, its apo and DNA-bound crystal structures are reported, revealing a central region containing 19 repeats of a helixloophelix modular domain (BurrH domain; BuD), which identifies the DNA target by a single residue-to-nucleotide code, thus facilitating its redesign for gene targeting. New DNA-binding specificities have been engineered in this template, showing that BuD-derived nucleases (BuDNs) induce high levels of gene targeting in a locus of the human haemoglobin ? (HBB) gene close to mutations responsible for sickle-cell anaemia. Hence, the unique combination of high efficiency and specificity of the BuD arrays can push forward diverse genome-modification approaches for cell or organism redesign, opening new avenues for gene editing.

  6. Controlled Pd(0)/t Bu3P Catalyzed Suzuki Cross-Coupling Polymerization of AB-Type Monomers with ArPd(t Bu3P)X or Pd2(dba)3/t Bu3P/ArX as the Initiator

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

    Zhang, Honghai; Xing, Chun-Hui; Hu, Qiao-Sheng; Hong, Kunlun

    2015-02-05

    The synthesis of well-defined and functionalized conjugated polymers, which are essential in the development of efficient organic electronics, through Suzuki cross-coupling polymerizations has been a challenging task. We developed controlled Pd(0)/t-Bu3P-catalyzed Suzuki cross-coupling polymerizations of AB-type monomers via the chain-growth mechanism with a series of in situ generated ArPd(t-Bu3P)X (X = I, Br, Cl) complexes as initiators. Among them, the combinations of Pd2(dba)3/t-Bu3P/p-BrC6H4I, Pd2(dba)3/t-Bu3P/p-BrC6H4CH2OH and Pd2(dba)3/t-Bu3P/p-PhCOC6H4Br were identified as highly robust initiator systems, resulting in polymers with predictable molecular weight and narrow polydispersity (PDI~1.13-1.20). In addition, Pd2(dba)3/t-Bu3P/p-BrC6H4CH2OH and Pd2(dba)3/t-Bu3P/p-PhCOC6H4Br initiator systems afforded functional polymers with >95% fidelity. Our results pavedmore » the road to access well-defined conjugated polymers, including conjugated polymers with complex polymer architectures such as block copolymers and branch copolymers.« less

  7. B.U. Students Talk Energy Research at Lost Dog Cafe > Archived News Stories

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

    > The Energy Materials Center at Cornell Archived News Stories Latest News The perfect atom sandwich requires an extra layer › Cornell boasts 22 'highly cited' researchers › Postdoc brings open access issue to the table › In This Section EMC2 News Archived News Stories B.U. Students Talk Energy Research at Lost Dog Cafe April 10th, 2014 › There was a science café at the Lost Dog Cafe in Binghamton last night. A group of Binghamton University students and professors talked about

  8. Compositional depth profiling of TaCN thin films

    SciTech Connect (OSTI)

    Adelmann, Christoph; Conard, Thierry; Franquet, Alexis; Brijs, Bert; Munnik, Frans; Burgess, Simon; Witters, Thomas; Meersschaut, Johan; Kittl, Jorge A.; Vandervorst, Wilfried; Van Elshocht, Sven

    2012-07-15

    The composition profiling of thin TaCN films was studied. For the composition profile determination using x-ray photoemission spectrometry (XPS) in combination with Ar sputtering, preferential sputtering effects of N with respect to Ta and C were found to lead to inaccurate elemental concentrations. Sputter yield calculations for the given experimental conditions allowed for the correction of a part of the error, leading to fair accuracy by reference-free measurements. Further improvement of the accuracy was demonstrated by the calibration of the XPS compositions against elastic recoil detection analysis (ERDA) results. For Auger electron spectrometry (AES) in combination with Ar sputtering, accurate results required the calibration against ERDA. Both XPS and AES allowed for a reliable and accurate determination of the compositional profiles of TaCN-based thin films after calibration. Time-of-flight secondary-ion mass spectrometry was also used to assess the composition of the TaCN films. However, the analysis was hampered by large matrix effects due to small unintentional oxygen contents in the films. Energy-dispersive x-ray spectrometry is also discussed, and it is shown that an accurate reference-free measurement of the average film concentration can be achieved.

  9. Closure Plan for Corrective Action Unit 109: U-2bu Subsidence Crater Nevada Test Site, Nevada

    SciTech Connect (OSTI)

    Shannon Parsons

    1999-03-01

    The U-2bu subsidence crater, Corrective Action Unit 109, will be closed in accordance with the Resource Conservation and Recovery Act, the Nevada Division of Environmental Protection operational permit, and the Federal Facilities Agreement and Consent Order. The U-2bu subsidence crater is located in Area 2 of the Nevada Test Site. It was created in 1971 by an underground nuclear test with the name Miniata. The crater has a diameter of 288 meters (944 feet) and an approximate depth of 35 meters (115 feet). The subsidence crater was used as a land disposal unit for radioactive and hazardous waste from 1973 to 1988. Site disposal history is supported by memorandums, letters, and personnel who worked at the Nevada Test Site at the time of active disposal. Closure activities will include the excavation and disposal of impacted soil form the tip of the crater. Upon completion of excavation, verification samples will be collected to show that lead has been removed to concentrations be low regulatory action level. The area will then be backfilled and a soil flood diversion berm will be constructed, and certified by an independent professional engineer as to having followed the approved Closure Plan.

  10. EA-257-D Emera Energy Svcs (CN).pdf

    Office of Environmental Management (EM)

    57-D Emera Energy Services, Inc. EA-257-D Emera Energy Services, Inc. Order authorizing EES to export electric energy to Canada. EA-257-D Emera Energy Svcs (CN).pdf (1.07 MB) More Documents & Publications EA-257-D Emera Energy Services, Inc. Application to Export Electric Energy OE Docket No. EA-257-D Emera Energy Services, Inc. Application to Export Electric Energy OE Docket No. EA-257-D Emera Energy Services, Inc.: Federal Register Notice, Volume 79, No. 43 - March 5, 2014

  11. CN ANOMALIES IN THE HALO SYSTEM AND THE ORIGIN OF GLOBULAR CLUSTERS IN THE MILKY WAY

    SciTech Connect (OSTI)

    Carollo, Daniela; Martell, Sarah L.; Beers, Timothy C.; Freeman, Ken C. E-mail: smartell@aao.gov.au E-mail: kcf@mso.anu.edu.au

    2013-06-01

    We explore the kinematics and orbital properties of a sample of red giants in the halo system of the Milky Way that are thought to have formed in globular clusters based on their anomalously strong UV/blue CN bands. The orbital parameters of the CN-strong halo stars are compared to those of the inner- and outer-halo populations as described by Carollo et al., and to the orbital parameters of globular clusters with well-studied Galactic orbits. The CN-strong field stars and the globular clusters both exhibit kinematics and orbital properties similar to the inner-halo population, indicating that stripped or destroyed globular clusters could be a significant source of inner-halo field stars, and suggesting that both the CN-strong stars and the majority of globular clusters are primarily associated with this population.

  12. Study on re-sputtering during CN{sub x} film deposition through spectroscopic diagnostics of plasma

    SciTech Connect (OSTI)

    Liang, Peipei; Yang, Xu; Li, Hui; Cai, Hua; Sun, Jian; Xu, Ning; Wu, Jiada

    2015-10-15

    A nitrogen-carbon plasma was generated during the deposition of carbon nitride (CN{sub x}) thin films by pulsed laser ablation of a graphite target in a discharge nitrogen plasma, and the optical emission of the generated nitrogen-carbon plasma was measured for the diagnostics of the plasma and the characterization of the process of CN{sub x} film deposition. The nitrogen-carbon plasma was recognized to contain various species including nitrogen molecules and molecular ions excited in the ambient N{sub 2} gas, carbon atoms and atomic ions ablated from the graphite target and CN radicals. The temporal evolution and spatial distribution of the CN emission and their dependence on the substrate bias voltage show two groups of CN radicals flying in opposite directions. One represents the CN radicals formed as the products of the reactions occurring in the nitrogen-carbon plasma, revealing the reactive deposition of CN{sub x} film due to the reactive expansion of the ablation carbon plasma in the discharge nitrogen plasma and the effective formation of gaseous CN radicals as precursors for CN{sub x} film growth. The other one represents the CN radicals re-sputtered from the growing CN{sub x} film by energetic plasma species, evidencing the re-sputtering of the growing film accompanying film growth. And, the re-sputtering presents ion-induced sputtering features.

  13. Reactions of the CN Radical with Benzene and Toluene: Product Detection and Low-Temperature Kinetics

    SciTech Connect (OSTI)

    Trevitt, Adam J.; Goulay, Fabien; Taatjes, Craig A.; Osborn, David L.; Leone, Stephen R.

    2009-12-23

    Low temperature rate coefficients are measured for the CN + benzene and CN + toluene reactions using the pulsed Laval nozzle expansion technique coupled with laser-induced fluorescence detection. The CN + benzene reaction rate coefficient at 105, 165 and 295 K is found to be relatively constant over this temperature range, 3.9 - 4.9 x 10-10 cm3 molecule-1 s-1. These rapid kinetics, along with the observed negligible temperature dependence, are consistent with a barrierless reaction entrance channel and reaction efficiencies approaching unity. The CN + toluene reaction is measured to have a slower rate coefficient of 1.3 x 10-10 cm3 molecule-1 s-1 at 105 K. At room temperature, non-exponential decay profiles are observed for this reaction that may suggest significant back-dissociation of intermediate complexes. In separate experiments, the products of these reactions are probed at room temperature using synchrotron VUV photoionization mass spectrometry. For CN + benzene, cyanobenzene (C6H5CN) is the only product recorded with no detectable evidence for a C6H5 + HCN product channel. In the case of CN + toluene, cyanotoluene (NCC6H4CH3) constitutes the only detected product. It is not possible to differentiate among the ortho, meta and para isomers of cyanotoluene because of their similar ionization energies and the ~;; 40 meV photon energy resolution of the experiment. There is no significant detection of benzyl radicals (C6H5CH2) that would suggest a H-abstraction or a HCN elimination channel is prominent at these conditions. As both reactions are measured to be rapid at 105 K, appearing to have barrierless entrance channels, it follows that they will proceed efficiently at the temperatures of Saturn?s moon Titan (~;;100 K) and are also likely to proceed at the temperature of interstellar clouds (10-20 K).

  14. K 3 Fe(CN) 6 under External Pressure: Dimerization of CN – Coupled with Electron Transfer to Fe(III)

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

    Li, Kuo; Zheng, Haiyan; Wang, Lijuan; Tulk, Christopher A.; Molaison, Jamie J.; Feygenson, Mikhail; Yang, Wenge; Guthrie, Malcolm; Mao, Hokwang

    2015-09-14

    The addition polymerization of charged monomers like C≡C2– and C≡N– is scarcely seen at ambient conditions but can progress under external pressure with their conductivity significantly enhanced, which expands the research field of polymer science to inorganic salts. Moreover, the reaction pressures of transition metal cyanides like Prussian blue and K3Fe(CN)6 are much lower than that of alkali cyanides. To figure out the effect of the transition metal on the reaction, the crystal structure and electronic structure of K3Fe(CN)6 under external pressure are investigated by in situ neutron diffraction, in situ X-ray absorption fine structure (XAFS), and neutron pair distributionmore » functions (PDF) up to ~15 GPa. The cyanide anions react following a sequence of approaching–bonding–stabilizing. The Fe(III) brings the cyanides closer which makes the bonding progress at a low pressure (2–4 GPa). At ~8 GPa, an electron transfers from the CN to Fe(III), reduces the charge density on cyanide ions, and stabilizes the reaction product of cyanide. Finally, from this study we can conclude that bringing the monomers closer and reducing their charge density are two effective routes to decrease the reaction pressure, which is important for designing novel pressure induced conductor and excellent electrode materials.« less

  15. PROBING THE GASEOUS DISK OF T Tau N WITH CN 5-4 LINES

    SciTech Connect (OSTI)

    Podio, L.; Codella, C.; Kamp, I.; Meijerink, R.; Spaans, M.; Nisini, B.; Aresu, G.; Brittain, S.; Cabrit, S.; Dougados, C.; Thi, W.-F.; Sandell, G.; White, G. J.; Woitke, P.

    2014-03-10

    We present spectrally resolved observations of the young multiple system T Tau in atomic and molecular lines obtained with the Heterodyne Instrument for the Far Infrared on board Herschel. While CO, H{sub 2}O, [C II], and SO lines trace the envelope and the outflowing gas up to velocities of 33 km s{sup –1} with respect to systemic, the CN 5-4 hyperfine structure lines at 566.7, 566.9 GHz show a narrow double-peaked profile centered at systemic velocity, consistent with an origin in the outer region of the compact disk of T Tau N. Disk modeling of the T Tau N disk with the thermo-chemical code ProDiMo produces CN line fluxes and profiles consistent with the observed ones and constrain the size of the gaseous disk (R{sub out}=110{sub −20}{sup +10} AU) and its inclination (i = 25°± 5°). The model indicates that the CN lines originate in a disk upper layer at 40-110 AU from the star, which is irradiated by the stellar UV field and heated up to temperatures of 50-700 K. With respect to previously observed CN 2-1 millimeter lines, the CN 5-4 lines appear to be less affected by envelope emission, due to their larger critical density and excitation temperature. Hence, high-J CN lines are a unique confusion-free tracer of embedded disks, such as the disk of T Tau N.

  16. Au133(SPh-tBu)52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis

    SciTech Connect (OSTI)

    Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy; Kumara, Chanaka; Jupally, Vijay Reddy; Fortunelli, Alessandro; Sementa, Luca; Barcaro, Giovanni; Zuo, Xiaobing; Noll, Bruce C.

    2015-04-15

    Crystal structure determination has revolutionized modern science in biology, chemistry, and physics. However, the difficulty in obtaining periodic crystal lattices which are needed for X-ray crystal analysis has hindered the determination of atomic structure in nanomaterials, known as the nanostructure problem. Here, by using rigid and bulky ligands, we have overcome this limitation and successfully solved the X-ray crystallographic structure of the largest reported thiolated gold nanomolecule, Au133S52. The total composition, Au133(SPh-tBu)52, was verified using high resolution electrospray ionization mass spectrometry (ESI-MS). The experimental and simulated optical spectra show an emergent surface plasmon resonance that is more pronounced than in the slightly larger Au144(SCH2CH2Ph)60. Theoretical analysis indicates that the presence of rigid and bulky ligands is the key to the successful crystal formation.

  17. Pressure Build-Up During the Fire Test in Type B(U) Packages Containing Water - 13280

    SciTech Connect (OSTI)

    Feldkamp, Martin; Nehrig, Marko; Bletzer, Claus; Wille, Frank

    2013-07-01

    The safety assessment of packages for the transport of radioactive materials with content containing liquids requires special consideration. The main focus is on water as supplementary liquid content in Type B(U) packages. A typical content of a Type B(U) package is ion exchange resin, waste of a nuclear power plant, which is not dried, normally only drained. Besides the saturated ion exchange resin, a small amount of free water can be included in these contents. Compared to the safety assessment of packages with dry content, attention must be paid to some more specific issues. An overview of these issues is provided. The physical and chemical compatibility of the content itself and the content compatibility with the packages materials must be demonstrated for the assessment. Regarding the mechanical resistance the package has to withstand the forces resulting from the freezing liquid. The most interesting point, however, is the pressure build-up inside the package due to vaporization. This could for example be caused by radiolysis of the liquid and must be taken into account for the storage period. If the package is stressed by the total inner pressure, this pressure leads to mechanical loads to the package body, the lid and the lid bolts. Thus, the pressure is the driving force on the gasket system regarding the activity release and a possible loss of tightness. The total pressure in any calculation is the sum of partial pressures of different gases which can be caused by different effects. The pressure build-up inside the package caused by the regulatory thermal test (30 min at 800 deg. C), as part of the cumulative test scenario under accident conditions of transport is discussed primarily. To determine the pressure, the temperature distribution in the content must be calculated for the whole period from beginning of the thermal test until cooling-down. In this case, while calculating the temperature distribution, conduction and radiation as well as evaporation

  18. Dynamics of CN+alkane reactions by crossed-beam dc slice imaging

    SciTech Connect (OSTI)

    Huang Cunshun; Li Wen; Estillore, Armando D.; Suits, Arthur G.

    2008-08-21

    The hydrogen atom abstraction reactions of CN (X {sup 2}{sigma}{sup +}) with alkanes have been studied using the crossed molecular beam technique with dc slice ion imaging at collision energies of 7.5 and 10.8 kcal/mol. The product alkyl radical images were obtained via single photon ionization at 157 nm for the reactions of CN (X {sup 2}{sigma}{sup +}) with n-butane, n-pentane, n-hexane, and cyclohexane. From analysis of the images, we obtained the center-of-mass frame product angular distributions and translational energy distributions directly. The results indicate that the products are largely backscattered and that most of the available energy ({approx}80%-85%) goes to the internal energy of the products. The reaction dynamics is discussed in light of recent kinetics data, theoretical calculations, and results for related halogen and oxygen atom reactions.

  19. DETECTION OF FeCN (X {sup 4}{Delta}{sub i} ) IN IRC+10216: A NEW INTERSTELLAR MOLECULE

    SciTech Connect (OSTI)

    Zack, L. N.; Halfen, D. T.; Ziurys, L. M.

    2011-06-01

    A new interstellar molecule, FeCN (X {sup 4}{Delta}{sub i} ), has been detected in the envelope of the carbon-rich asymptotic giant branch star, IRC+10216. This work is the first definitive detection of an iron-bearing molecule in the interstellar medium and is based on newly measured rest frequencies. Eight successive rotational transitions of this linear free radical in the lowest spin ladder, {Omega} = 7/2, were observed at 2 and 3 mm using the Arizona Radio Observatory (ARO) 12 m telescope. Three transitions appear as single, unblended features at the 1-2 mK level and exhibit characteristic IRC+10216 line profiles; one had previously been observed with the IRAM 30 m telescope. Two other transitions are partially blended, but exhibit distinct emission at the FeCN frequencies. The remaining transitions are either completely contaminated, or are too high in energy. Comparison of the ARO and IRAM data suggests a source size for FeCN of {approx}30'' in IRC+10216, indicating an outer shell distribution, as expected for a free radical. The column density derived for FeCN is N{sub tot} = 8.6 x 10{sup 11} cm{sup -2} with a rotational temperature of T{sub rot} = 21 K. The fractional abundance of this molecule is [FeCN]/[H{sub 2}] {approx} 2-7 x 10{sup -10}-comparable to that of MgCN and KCN in IRC+10216. FeCN is likely formed by gas-phase reactions of Fe{sup +} or neutral iron; the latter has a significant gas-phase abundance in the outer shell. The detection of FeCN is further evidence that metal cyanides/isocyanides dominate the chemistry of refractory elements in IRC+10216.

  20. The evolution of microstructure and photoluminescence of SiCN films with annealing temperature

    SciTech Connect (OSTI)

    Du Xiwen; Fu Yang; Sun Jing; Yao Pei

    2006-05-01

    Silicon carbonitride (SiCN) films were deposited by radio-frequency magnetron sputtering and then annealed at different temperatures from 1100 to 1300 deg. C in hydrogen atmosphere. The as-deposited films and films annealed at 1100 deg. C did not show photoluminescence (PL), whereas strong PL peaks appeared at 355 and 469 nm after annealing at 1200 and 1300 deg. C. X-ray diffraction, transmission electron microscope, and Fourier transform infrared spectrometer results show that the enhancement of PL properties is due to the change of microstructure and composition.

  1. Anticancer effect of genistein on BG-1 ovarian cancer growth induced by 17 ?-estradiol or bisphenol A via the suppression of the crosstalk between estrogen receptor alpha and insulin-like growth factor-1 receptor signaling pathways

    SciTech Connect (OSTI)

    Hwang, Kyung-A; Park, Min-Ah; Kang, Nam-Hee; Yi, Bo-Rim; Hyun, Sang-Hwan; Jeung, Eui-Bae; Choi, Kyung-Chul

    2013-11-01

    The interaction between estrogen receptor (ER) and insulin-like growth factor-1 receptor (IGF-1R) signaling pathway plays an important role in proliferation of and resistance to endocrine therapy to estrogen dependent cancers. Estrogen (E2) upregulates the expression of components of IGF-1 system and induces the downstream of mitogenic signaling cascades via phosphorylation of insulin receptor substrate-1 (IRS-1). In the present study, we evaluated the xenoestrogenic effect of bisphenol A (BPA) and antiproliferative activity of genistein (GEN) in accordance with the influence on this crosstalk. BPA was determined to affect this crosstalk by upregulating mRNA expressions of ER? and IGF-1R and inducing phosphorylation of IRS-1 and Akt in protein level in BG-1 ovarian cancer cells as E2 did. In the mouse model xenografted with BG-1 cells, BPA significantly increased a tumor burden of mice and expressions of ER?, pIRS-1, and cyclin D1 in tumor mass compared to vehicle, indicating that BPA induces ovarian cancer growth by promoting the crosstalk between ER and IGF-1R signals. On the other hand, GEN effectively reversed estrogenicity of BPA by reversing mRNA and protein expressions of ER?, IGF-1R, pIRS-1, and pAkt induced by BPA in cellular model and also significantly decreased tumor growth and in vivo expressions of ER?, pIRS-1, and pAkt in xenografted mouse model. Also, GEN was confirmed to have an antiproliferative effect by inducing apoptotic signaling cascades. Taken together, these results suggest that GEN effectively reversed the increased proliferation of BG-1 ovarian cancer by suppressing the crosstalk between ER? and IGF-1R signaling pathways upregulated by BPA or E2.

  2. Polymerization of Acetonitrile via a Hydrogen Transfer Reaction from CH3 to CN under Extreme Conditions

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

    Zheng, Haiyan; Li, Kuo; Cody, George D.; Tulk, Christopher A.; Dong, Xiao; Gao, Guoying; Molaison, Jamie J.; Liu, Zhenxian; Feygenson, Mikhail; Yang, Wenge; et al

    2016-08-25

    Acetonitrile (CH3CN) is the simplest and one of the most stable nitriles. Reactions usually occur on the C≡N triple bond, while the C-H bond is very inert and can only be activated by a very strong base or a metal catalyst. In this study, it is demonstrated that C-H bonds can be activated by the cyano group under high pressure, but at room temperature. The hydrogen atom transfers from the CH3 to CN along the CH···N hydrogen bond, which produces an amino group and initiates polymerization to form a dimer, 1D chain, and 2D nanoribbon with mixed sp2 and sp3more » bonded carbon. Lastly, it transforms into a graphitic polymer by eliminating ammonia. This study shows that applying pressure can induce a distinctive reaction which is guided by the structure of the molecular crystal. It highlights the fact that very inert C-H can be activated by high pressure, even at room temperature and without a catalyst.« less

  3. Concurrent Collections (CnC): A new approach to parallel programming

    ScienceCinema (OSTI)

    None

    2011-10-06

    A common approach in designing parallel languages is to provide some high level handles to manipulate the use of the parallel platform. This exposes some aspects of the target platform, for example, shared vs. distributed memory. It may expose some but not all types of parallelism, for example, data parallelism but not task parallelism. This approach must find a balance between the desire to provide a simple view for the domain expert and provide sufficient power for tuning. This is hard for any given architecture and harder if the language is to apply to a range of architectures. Either simplicity or power is lost. Instead of viewing the language design problem as one of providing the programmer with high level handles, we view the problem as one of designing an interface. On one side of this interface is the programmer (domain expert) who knows the application but needs no knowledge of any aspects of the platform. On the other side of the interface is the performance expert (programmer or program) who demands maximal flexibility for optimizing the mapping to a wide range of target platforms (parallel / serial, shared / distributed, homogeneous / heterogeneous, etc.) but needs no knowledge of the domain. Concurrent Collections (CnC) is based on this separation of concerns. The talk will present CnC and its benefits. About the speaker Kathleen Knobe has focused throughout her career on parallelism especially compiler technology, runtime system design and language design. She worked at Compass (aka Massachusetts Computer Associates) from 1980 to 1991 designing compilers for a wide range of parallel platforms for Thinking Machines, MasPar, Alliant, Numerix, and several government projects. In 1991 she decided to finish her education. After graduating from MIT in 1997, she joined Digital Equipment?s Cambridge Research Lab (CRL). She stayed through the DEC/Compaq/HP mergers and when CRL was acquired and absorbed by Intel. She currently works in the Software and

  4. Pressure-Induced Enhanced Magnetic Anisotropy in Mn(N(CN)2)2

    SciTech Connect (OSTI)

    Quintero, P. A.; Rajan, D.; Peprah, M. K.; Brinzari, T. V.; Fishman, Randy Scott; Talham, Daniel R.; Meisel, Mark W.

    2015-01-01

    Using DC and AC magnetometry, the pressure dependence of the magnetization of the threedimensional antiferromagnetic coordination polymer Mn(N(CN)2)2 was studied up to 12 kbar and down to 8 K. The magnetic transition temperature, Tc, increases dramatically with applied pressure (P), where a change from Tc(P = ambient) = 16:0 K to Tc(P = 12:1 kbar) = 23:5 K was observed. In addition, a marked difference in the magnetic behavior is observed above and below 7.1 kbar. Specifically, for P < 7:1 kbar, the differences between the field-cooled and zero-field-cooled (fc-zfc) magnetizations, the coercive field, and the remanent magnetization decrease with increasing pressure. However, for P > 7:1 kbar, the behavior is inverted. Additionally, for P > 8:6 kbar, minor hysteresis loops are observed. All of these effects are evidence of the increase of the superexchange interaction and the appearance of an enhanced exchange anisotropy with applied pressure.

  5. Accessing conjugated polymers with precisely controlled heterobisfunctional chain ends via post-polymerization modification of the OTf group and controlled Pd(0)/t-Bu3P-catalyzed Suzuki cross-coupling polymerization

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

    Hu, Qiao -Sheng; Hong, Kunlun; Zhang, Hong -Hai

    2015-08-12

    In this study, a general strategy toward the synthesis of well-defined conjugated polymers with controlled heterobisfunctional chain ends via combination of controlled Pd(0)/t-Bu3P Suzuki cross-coupling polymerization with the post-polymerization modification of the triflate (OTf) group was disclosed.

  6. The fluxes of CN neutrinos from the Sun in case of mixing in a spherical layer in the solar core

    SciTech Connect (OSTI)

    Kopylov, Anatoly; Petukhov, Valery E-mail: beril@inr.ru

    2012-03-01

    The results of the calculation are presented for the fluxes of CN neutrinos from the Sun in case of mixing in a spherical layer in the solar core, consistent with the seismic data and with the measured solar neutrino fluxes. It is shown that a substantial increase of the flux of {sup 13}N neutrinos can be gained in this case. The possible implications for experiment are discussed.

  7. Atmospheric Pressure Plasma CVD of Amorphous Hydrogenated Silicon Carbonitride (a-SiCN:H) Films Using Triethylsilane and Nitrogen

    SciTech Connect (OSTI)

    Srinivasan Guruvenket; Steven Andrie; Mark Simon; Kyle W. Johnson; Robert A. Sailer

    2011-10-04

    Amorphous hydrogenated silicon carbonitride (a-SiCN:H) thin films are synthesized by atmospheric pressure plasma enhanced chemical vapor (AP-PECVD) deposition using the Surfx Atomflow{trademark} 250D APPJ source with triethylsilane (HSiEt{sub 3}, TES) and nitrogen as the precursor and the reactive gases, respectively. The effect of the substrate temperature (T{sub s}) on the growth characteristics and the properties of a-SiCN:H films was evaluated. The properties of the films were investigated via scanning electron microscopy (SEM), atomic force microscopy (AFM) for surface morphological analyses, Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) for chemical and compositional analyses; spectroscopic ellipsometry for optical properties and thickness determination and nanoindentation to determine the mechanical properties of the a-SiCN:H films. Films deposited at low T{sub s} depict organic like features, while the films deposited at high T{sub s} depict ceramic like features. FTIR and XPS studies reveal that an increases in T{sub s} helps in the elimination of organic moieties and incorporation of nitrogen in the film. Films deposited at T{sub s} of 425 C have an index of refraction (n) of 1.84 and hardness (H) of 14.8 GPa. A decrease in the deposition rate between T{sub s} of 25 and 250 C and increase in deposition rate between T{sub s} of 250 and 425 C indicate that the growth of a-SiCN:H films at lower T{sub s} are surface reaction controlled, while at high temperatures film growth is mass-transport controlled. Based on the experimental results, a potential route for film growth is proposed.

  8. trans-K3[TcO2(CN)4

    SciTech Connect (OSTI)

    Chatterjee, Sayandev; Del Negro, Andrew S; Edwards, Matthew K; Twamley, Brendan; Krause, Jeanette A; Bryan, Samuel A

    2010-07-14

    The dioxotetracyanotechnetate anion, [TcO2(CN)4]3-, of the title complex has octahedral symmetry. The technetium is located on a center of inversion and is bound by two oxygen atoms and four cyano ligands. The Tc=O bond distance of 1.7721 (12) Å is consistent with double bond character. The potassium cations [located on special (1/2,0,1) and general positions] reside in octahedral or tetrahedral environments; interionic K···O and K···N interactions occur in the 2.7877 (19)-2.8598 (15) Å range.

  9. Haskel/BuTech/PPI

    Broader source: Energy.gov [DOE]

    This presentation was given at the DOE Hydrogen Compression, Storage, and Dispensing Workshop in March 2013.

  10. Fate of nutrient enrichment on continental shelves as indicated by the C/N content of bottom sediments

    SciTech Connect (OSTI)

    Walsh, J.J.; Premuzic, E.T.; Whitledge, T.E.

    1980-01-01

    The trajectory and fate of particulate matter are poorly understood processes in a spatially heterogeneous coastal ocean. Parameterization of appropriate hydrodynamics for a quantitative description of these loss processes must thus await definition of the important biological time and space scales. Since the bottom sands tend to record the history of the water column, we have selected the C/N content of shelf sediments as a possible tracer of (1) sites of nutrient introduction to the shelf by various physical mechanisms, of (2) areas of subsequent downstream utilization by the phytoplankton, and of (3) where loss of particulate matter might occur from the water column. An analysis is made of the C/N patterns of bottom surface sediments in relation to the nitrogen sources from upwelling, river runoff, and tidal mixing on the Peruvian, west African, Amazonian, Gulf of Mexico, eastern US, Bering, and North Sea shelves in an initial attempt to proscribe the particle trajectories of organic matter on the continental shelf.

  11. Threshold of photoelectron emission from CN{sub x} films deposited at room temperature and at 500 deg. C

    SciTech Connect (OSTI)

    Sago, Genki; Li Wanyan; Goto, Keisuke; Ichikawa, Yo; Ishida, Yoshihisa; Kohiki, Shigemi

    2004-10-15

    The threshold of photoelectron emission was measured for amorphous CN{sub x} films deposited at room temperature (RT) and at 500 deg. C. The x values of the films deposited at RT and at 500 deg. C by magnetron sputtering of a graphite target in a mixed N{sub 2}/Ar gas were 0.6 and 0.3, respectively. Ratios of the sp{sup 2}- to sp{sup 3}-hybridized components of both C and N for the film deposited at 500 deg. C were larger by {approx_equal}4 times than those for the film deposited at RT. The onsets of the electron emission by photon irradiation were 5.0 and 4.7 eV for the films deposited at RT and at 500 deg. C, respectively.

  12. A Linear trans -Bis(imido) Neptunium(V) Actinyl Analog: NpV (NDipp)2 ( tBu2 bipy)2Cl (Dipp = 2,6- i Pr2C6H3)

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

    Brown, Jessie L.; Batista, Enrique R.; Boncella, James M.; Gaunt, Andrew J.; Reilly, Sean D.; Scott, Brian L.; Tomson, Neil C.

    2015-07-22

    We present the discovery that imido analogs of actinyl dioxo cations can be extended beyond uranium into the transuranic elements. Synthesis of the Np(V) complex, Np(NDipp)2(tBu2bipy)2Cl (1), is achieved through treatment of a Np(IV) precursor with a bipyridine co-ligand and lithium-amide reagent. Complex 1 has been structurally characterized, analyzed by 1H NMR and UV/vis/NIR spectroscopies, and the electronic structure evaluated by DFT calculations.

  13. Draft Genome sequence of Frankia sp. strains CN3 , an atypical, non-infective (Nod-) ineffective (Fix-) isolate from Coriaria nepalensis

    SciTech Connect (OSTI)

    Ghodhbane-Gtari, Faten; Beauchemin, Nicholas; Bruce, David; Chain, Patrick S. G.; Chen, Amy; Davenport, Karen W.; Deshpande, Shweta; Detter, J. Chris; Furnholm, Teal; Goodwin, Lynne A.; Gtari, Maher; Han, Cliff; Han, James; Huntemann, Marcel; Ivanova, N; Kyrpides, Nikos C; Land, Miriam L; Markowitz, Victor; Mavromatis, K; Nolan, Matt; Nouioui, Imen; Pagani, Ioanna; Pati, Amrita; Pitluck, Sam; Santos, Catarina; Sen, Arnab; Sur, Saubashya; Szeto, Ernest; Tavares, Fernando; Hazuki, Teshima; Thakur, Subarna; Wall, Luis; Woyke, Tanja; Tisa, Louis S.

    2013-01-01

    We report here the genome sequence of Frankia sp. strain CN3, which was isolated from Coriaria nepalensis. This genome sequence is the first from the fourth lineage of Frankia, that are unable to re-infect actinorhizal plants. At 10 Mb, it represents the largest Frankia genome sequenced to date.

  14. Structural and Morphological Difference Between Ti/TiN/TiCN Coatings Grown in Multilayer and Graded Form

    SciTech Connect (OSTI)

    Restrepo, E.; Baena, A.; Agudelo, C.; Castillo, H.; Devia, A.; Marino, A.

    2006-12-04

    Thin films can be grown in super-lattice, multilayers and graded form, having each one advantages and disadvantages. The difference between multilayer and graded coatings is the interface. In multilayers the interface is abrupt and in graded coatings it is diffuse. The interface influences many chemical and physical properties of the materials, and its choice depends on the application. Graded coatings have the advantage of having gradual properties such as thermal expansion coefficient and lattice parameter, avoiding adherence problems due to good match between their component materials. In this work the comparison between some properties of coatings grown as multilayer and graded is performed. The materials are produced using the sputtering DC technique because of its facility to control the deposition parameters and generate a slow growth. The target is a disc of titanium and the samples are made of stainless steel 304. The working gases are argon, nitrogen and methane, which are mixed according to the material to be produced, i.e. Ti layer is grown with argon, the TiN film is produced with a mixture of argon and nitrogen, and the TiCN material is obtained mixing argon, nitrogen and methane. These materials are characterized with AFM in order to determine grain size and with XPS studying the chemical composition and performing depth profiles.

  15. Femtosecond Measurements Of Size-Dependent Spin Crossover In FeII(pyz)Pt(CN)4 Nanocrystals

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

    Sagar, D. M.; Baddour, Frederick G.; Konold, Patrick; Ullom, Joel; Ruddy, Daniel A.; Johnson, Justin C.; Jimenez, Ralph

    2016-01-07

    We report a femtosecond time-resolved spectroscopic study of size-dependent dynamics in nanocrystals (NCs) of Fe(pyz)Pt(CN)4. We observe that smaller NCs (123 or 78 nm cross section and < 25 nm thickness) exhibit signatures of spin crossover (SCO) with time constants of ~ 5-10 ps whereas larger NCs with 375 nm cross section and 43 nm thickness exhibit a weaker SCO signature accompanied by strong spectral shifting on a ~20 ps time scale. For the small NCs, the fast dynamics appear to result from thermal promotion of residual low-spin states to high-spin states following nonradiative decay, and the size dependence ismore » postulated to arise from differing high-spin vs low-spin fractions in domains residing in strained surface regions. The SCO is less efficient in larger NCs owing to their larger size and hence lower residual LS/HS fractions. Our results suggest that size-dependent dynamics can be controlled by tuning surface energy in NCs with dimensions below ~25 nm for use in energy harvesting, spin switching, and other applications.« less

  16. The states of carbon and nitrogen atoms after photodissociation of CN, CH, CH(+), C2, C3, and CO in comets

    SciTech Connect (OSTI)

    Singh, P.D.; De almeida, A.A.; Huebner, W.F. Southwest Research Institute, San Antonio, TX )

    1991-03-01

    The photodissociation of carbon compounds by solar UV radiation at a heliocentric distance of 1 AU is examined, comparing published observational data with the predictions of theoretical models and results from laboratory experiments. It is shown that species other than CO, including CN, CH, CH(+), C2, and C3, can contribute to the observed brightness of the VUV lines of C I (156.1, 165.7, and 193.1 nm) and C II (133.5 nm) in comet comae. CN photodissociation is also found to produce metastable 2D0 and 2P0 N I atoms, possibly leading (at heliocentric distances less than 0.25 AU) to 143.9-nm emission via resonance fluorescence. 37 refs.

  17. Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4

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

    Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; Zavalij, P.; Espinal, L.; Siderius, D. W.; Allen, A. J.; Scheins, S.; Matranga, C.

    2013-01-01

    This paper reports our synthesis of flexible coordination polymer, Ni(L)[Ni(CN)4], (L = 1,2-bis(4-pyridyl)ethylene (nicknamed bpene)), and its structural characterization using synchrotron single crystal X-ray diffraction. The structure of the purplish crystals has been determined to be monoclinic, space group P21/m, a = 13.5941(12) Å, b = 14.3621(12) Å, c = 14.2561(12) Å, β = 96.141(2)°, V = 2767.4(4) Å3, Z = 4, Dc = 1.46 g cm-1. Ni(bpene)[Ni(CN)4] assumes a pillared layer structure with layers defined by Ni[Ni(CN)4]n nets and bpene ligands acting as pillars. With the present crystallization technique which involves the use of concentrated ammonium hydroxide solution andmore » dimethyl sulfoxide (DMSO), disordered free bpene ligands and solvents of crystallization (DMSO and water molecules) occupy the pores, resulting in a formula of Ni(bpene)[Ni(CN)4](1/2)bpene∙DMSO2H2O, or Ni2N7C24H25SO3. Without the inclusion of free bpene ligands and solvent molecules, the free volume is approximately 61% of the total volume; this free volume fraction is reduced to 50% with the free ligands present. Pores without the free ligands were found to have a local diameter of 5.7 Å and a main aperture of 3.5 Å. Based on the successful crystal synthesis, we also devised a new bulk synthetic technique which yielded a polycrystalline material with a significantly improved CO2 uptake as compared to the originally reported powder material. The improved synthetic technique yielded a polycrystalline material with 40% higher CO2 uptake compared to the previously reported powder material. An estimated 14.4 molecules of CO2 per unit cell was obtained.« less

  18. Fabrication of the C-N co-doped rod-like TiO{sub 2} photocatalyst with visible-light responsive photocatalytic activity

    SciTech Connect (OSTI)

    Li, Liang-Hai; Lu, Juan; Wang, Zuo-Shan; State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081 ; Yang, Lu; Zhou, Xiu-Feng; Han, Lu

    2012-06-15

    Highlights: ? Novel synthesis of C-N co-doped TiO{sub 2}. ? Self-assembly of C-N co-doped TiO{sub 2} nanorods by nanoparticles. ? Excellent photocatalytic efficiency. -- Abstract: The C-N co-doped TiO{sub 2} nanorods were synthesized by the vapor transport method of water molecules, and urea was used as the carbon and nitrogen source. The samples were characterized by X-ray diffraction and photoelectron spectroscopy analysis. The scanning electron microscope images showed that as-prepared TiO{sub 2} powders were nanorods, which were formed by the stacking of nanoparticles with a uniform size around 40 nm. The degradation of methylene blue with the prepared nanorods demonstrated the photocatalytic activities of TiO{sub 2} under visible light are improved by doping with C and N elements. The main reasons were discussed: doping with C and N elements could enhance the corresponding visible-light absorption of TiO{sub 2}. On the other hand, doping C and N could create more oxygen vacancies in the TiO{sub 2} crystals, which could capture the photogenerated electrons more effectively. Thus, more photogenerated holes could be left to improve the photocatalytic activity of TiO{sub 2}.

  19. SF6432-CN

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

    ... National Fire Protection Association (NFPA), Standard of Mechanical Engineers (ASME), ... APPLY TO CONTRACTS AT ANY VALUE FAR 52.203-99 Prohibition on Contracting with Entities ...

  20. SF6432-CN

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

    a third party, resulting from failure to comply with the requirements of this contract or failure to exercise reasonable care in performing the work. If the Contractor fails or...

  1. SF6432-CN

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

    resulting from failure to comply with the requirements of this contract or failure to exercise reasonable care in performing the work. If the Contractor fails or...

  2. SF6432-CN Construction

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

    a third party, resulting from failure to comply with the requirements of this contract or failure to exercise reasonable care in performing the work. If the Contractor fails or...

  3. Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4

    SciTech Connect (OSTI)

    Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; Zavalij, P.; Espinal, L.; Siderius, D. W.; Allen, A. J.; Scheins, S.; Matranga, C.

    2013-01-01

    This paper reports our synthesis of flexible coordination polymer, Ni(L)[Ni(CN)4], (L = 1,2-bis(4-pyridyl)ethylene (nicknamed bpene)), and its structural characterization using synchrotron single crystal X-ray diffraction. The structure of the purplish crystals has been determined to be monoclinic, space group P21/m, a = 13.5941(12) Å, b = 14.3621(12) Å, c = 14.2561(12) Å, β = 96.141(2)°, V = 2767.4(4) Å3, Z = 4, Dc = 1.46 g cm-1. Ni(bpene)[Ni(CN)4] assumes a pillared layer structure with layers defined by Ni[Ni(CN)4]n nets and bpene ligands acting as pillars. With the present crystallization technique which involves the use of concentrated ammonium hydroxide solution and dimethyl sulfoxide (DMSO), disordered free bpene ligands and solvents of crystallization (DMSO and water molecules) occupy the pores, resulting in a formula of Ni(bpene)[Ni(CN)4](1/2)bpene∙DMSO2H2O, or Ni2N7C24H25SO3. Without the inclusion of free bpene ligands and solvent molecules, the free volume is approximately 61% of the total volume; this free volume fraction is reduced to 50% with the free ligands present. Pores without the free ligands were found to have a local diameter of 5.7 Å and a main aperture of 3.5 Å. Based on the successful crystal synthesis, we also devised a new bulk synthetic technique which yielded a polycrystalline material with a significantly improved CO2 uptake as compared to the originally reported powder material. The improved synthetic technique yielded a polycrystalline material with 40% higher CO2 uptake compared to the previously reported powder material. An estimated 14.4 molecules of CO2 per unit cell was obtained.

  4. Energy and charge transfers between (Bu{sub 4}N){sub 2}(Ru)(dcbpyH){sub 2}(NCS){sub 2} (N719) and ZnO thin films

    SciTech Connect (OSTI)

    Ni Manman; Cheng Qiang; Zhang, W. F.

    2010-03-15

    ZnO thin films and (Bu{sub 4}N){sub 2}(Ru)(dcbpyH){sub 2}(NCS){sub 2} (called N719) sensitized ZnO thin films are grown on fluorine-doped tin oxide (FTO) conducting glass substrates using laser molecular beam epitaxy. Ultraviolet-visible absorption, photoluminescence (PL), surface photovoltage spectroscopy, and Raman scattering are employed to probe into the transition process of photogenerated charges and the interaction between ZnO and N719. The experimental results indicate that there is a significant electronic interaction between N719 and ZnO through chemiadsorption. The interaction greatly enhances the photogenerated charge separation and thus the photovoltaic response of the ZnO film but remarkedly weakens its radiative recombination, i.e., PL, implying strong energy and charge transfer occurring between N719 and ZnO. In addition, a new PL peak observed at about 720 nm in N719 sensitized ZnO/FTO is attributed to the electron-hole recombination of N719.

  5. BPA CPTC BU Certification.pdf

    Office of Environmental Management (EM)

    BAKERBOTTS.-.* February 3,2015 THE WARNER I299 PENNSYIVANIA AVE , NW WASHING]ON, D C 20C04-2400 IEI +l 202.6397700 FAX +l 202 6397890 BokerBolls com AUSTIN BEIIING BRUSSELS DAITAS DUBAI HONG KONG HOUSTON IONDON MOSCOW NEW YORK PALO AITO RIO DE JANEIRO RIYADH WASHINGTON PUBLIC VERSION Christopher Lawrence U.S. Department of Energy, OE-20 Offrce of Electric Delivery and Energy Reliability 1000 Independence Avenue, SW Washington, DC 20585 Informational Filing; Frontera MarketingrLLC, Docket No.

  6. Gaseous CN, C2, and C3 jets in the inner coma of Comet P/Halley observed from the Vega 2 spacecraft

    SciTech Connect (OSTI)

    Clairemidi, J.; Moreels, G.; Krasnopol'skii, V.A. Institut Kosmicheskikh Issledovanii, Moscow )

    1990-07-01

    A superposition of the monochromatic charts transmitted by Vega 2's three-channel spectrometer during its approach of Comet P/Halley in March, 1986, has yielded composite images of the inner coma with moderate spatial resolution which cover a sector of angle 50 deg converging to the nucleus. Images of the CN, C3, C2 Delta-v = 1 and C2 Delta-v = 0 emissions show evidence of two well-contrasted jets, one of which is in the direction of the sun while the other lies in the perpendicular direction; they are separated by a valley-shaped low-intensity zone. Radial and transverse profiles of the emissions are presented. 28 refs.

  7. Local magnetism in the molecule-based metamagnet [Ru2(O2CMe)4]3[Cr(CN)6] probed with implanted muons

    SciTech Connect (OSTI)

    Lancaster, T.; Pratt, F. L.; Blundell, S. J.; Steele, Andrew J.; Baker, Peter J.; Wright, Jack D.; Fishman, Randy Scott; Miller, Joel S.

    2011-01-01

    We present a muon-spin relaxation study of local magnetism in the molecule-based metamagnet [Ru2(O2CMe)4]3[Cr(CN)6]. We observe magnetic order with TN = 33 K, although above 25 K the sublattice spins become less rigid and a degree of static magnetic disorder is observed. The comparison of measurements in applied magnetic field with simulations allows us to understand the origin of the muon response across the metamagnetic transition and to map out the phase diagram of the material. Applied hydrostatic pressures of up to 6 kbar lead to an increase in the local magnetic field along with a complex change in the internal magnetic field distribution.

  8. Intermolecular interactions involving C-H bonds, 3, Structure and energetics of the interaction between CH{sub 4} and CN{sup {minus}}

    SciTech Connect (OSTI)

    Novoa, J.J.; Whangbo, Myung-Hwan; Williams, J.M.

    1991-12-31

    On the basis of SCF and single reference MP2 calculations, the full potential energy surface of the interaction between CH{sub 4} and CN{sup {minus}} was studied using extended basis sets of up to near Hartree-Fock limit quality. Colinear arrangements C-N{sup {minus}}{hor_ellipsis}H-CH{sub 3} and N-C{sup {minus}}{hor_ellipsis}H-CH{sub 3} are found to be the only two energy minima. The binding energies of these two structures are calculated to be 2.5 and 2.1 kcal/mol, respectively, at the MP2 level. The full vibrational analyses of two structures show a red shift of about 30 cm{sup {minus}1} for the v{sub s} C-H stretching.

  9. Tuning MPI on BG/Q | Argonne Leadership Computing Facility

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    that the kernel can de-schedule them in favor of the communication threads. The MPI Fortran Model You must use a module compiled with the same Fortran compiler (GNU or XLF) that...

  10. BG/Q Drivers Status | Argonne Leadership Computing Facility

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    Blue GeneQ Versus Blue GeneP BGQ Drivers Status Machine Overview Machine Partitions Torus Network Data Storage & File Systems Compiling & Linking Queueing & Running Jobs Data...

  11. BG/Q File Systems | Argonne Leadership Computing Facility

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    These project spaces do not have user quotas but a directory quota, meaning that ALL files contained within a project directory, regardless of the username, cannot exceed the disk ...

  12. BG/Q DGEMM Performance | Argonne Leadership Computing Facility

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    BGQ DGEMM Performance The table below represents the percentage of peak performance for a matrix-matrix multiply BLAS3 dgemm routine as it is implemented in a BGQ Power A2 core...

  13. BG/Q Performance Counters | Argonne Leadership Computing Facility

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    Performance Tools & APIs Tuning MPI on BGQ Tuning and Analysis Utilities (TAU) HPCToolkit HPCTW mpiP gprof Profiling Tools Darshan PAPI BGQ Performance Counters BGPM...

  14. Long-term stable water vapor permeation barrier properties of SiN/SiCN/SiN nanolaminated multilayers grown by plasma-enhanced chemical vapor deposition at extremely low pressures

    SciTech Connect (OSTI)

    Choi, Bum Ho Lee, Jong Ho

    2014-08-04

    We investigated the water vapor permeation barrier properties of 30-nm-thick SiN/SiCN/SiN nanolaminated multilayer structures grown by plasma enhanced chemical vapor deposition at 7 mTorr. The derived water vapor transmission rate was 1.12 × 10{sup −6} g/(m{sup 2} day) at 85 °C and 85% relative humidity, and this value was maintained up to 15 000 h of aging time. The X-ray diffraction patterns revealed that the nanolaminated film was composed of an amorphous phase. A mixed phase was observed upon performing high resolution transmission electron microscope analysis, which indicated that a thermodynamically stable structure was formed. It was revealed amorphous SiN/SiCN/SiN multilayer structures that are free from intermixed interface defects effectively block water vapor permeation into active layer.

  15. Systematic investigation of electronic structure in BEDT-TTF based organic superconductors with Tc above 10 K; [kappa]-(BEDT-TTF)[sub 2]X (X = Cu(NCS)[sub 2], Cu[N(CN)[sub 2

    SciTech Connect (OSTI)

    Nakamura, Toshikazu; Nobutoki, Tomoko; Miyamoto, Masao; Tsubokura, Yuichi; Tsuchiya, Ryota; Takahashi, Toshihiro ); Kanoda, Kazushi ); Saito, Gunzi )

    1994-06-01

    The electronic structure of the title superconductors has been investigated by electrical resistivity, complex susceptibility, and electron paramagnetic resonance (EPR) measurements. The superconducting properties (pressure dependence of Tc, magnetic penetration depth, upper critical field, and so on) of these three salts are similar to each other, while transport properties in the normal state have shown a large variety in the temperature dependence. In order to clarify the electronic structure in the normal state, the EPR parameters, the spin susceptibility ([Chi][sub spin]), and the linewidth ([Delta]H[sub pp]), are compared. An anomalous temperature dependence of the g-value has been observed below 150 K in the Cu(NCS)[sub 2] and Cu(CN)[N(CN)[sub 2

  16. DETECTIONS OF C{sub 2}H, CYCLIC-C{sub 3}H{sub 2}, AND H{sup 13}CN IN NGC 1068

    SciTech Connect (OSTI)

    Nakajima, T.; Takano, S.; Kohno, K.; Inoue, H.

    2011-02-20

    We used the Nobeyama 45 m telescope to conduct a spectral line survey in the 3 mm band (85.1-98.4 GHz) toward one of the nearest galaxies with an active galactic nucleus (AGN), NGC 1068, and the prototypical starburst galaxy NGC 253. The beam size of this telescope is {approx} 18'', which was sufficient to spatially separate the nuclear molecular emission from the emission of the circumnuclear starburst region in NGC 1068. We detected rotational transitions of C{sub 2}H, cyclic-C{sub 3}H{sub 2}, and H{sup 13}CN in NGC 1068. These are detections of carbon-chain and carbon-ring molecules in NGC 1068. In addition, the C{sub 2}H N = 1-0 lines were detected in NGC 253. The column densities of C{sub 2}H were determined to be 3.4 x 10{sup 15} cm{sup -2} in NGC 1068 and 1.8 x 10{sup 15} cm{sup -2} in NGC 253. The column densities of cyclic-C{sub 3}H{sub 2} were determined to be 1.7 x 10{sup 13} cm{sup -2} in NGC 1068 and 4.4 x 10{sup 13} cm{sup -2} in NGC 253. We calculated the abundances of these molecules relative to CS for both NGC 1068 and NGC 253, and found that there were no significant differences in the abundances between the two galaxies. This result suggests that the basic carbon-containing molecules are either insusceptible to AGN or are tracing cold (T{sub rot} {approx} 10 K) molecular gas rather than X-ray irradiated hot gas.

  17. Molecular dynamics study of the effect of alkyl chain length on melting points of [CnMIM][PF6] ionic liquids

    SciTech Connect (OSTI)

    Zhang, Y; Maginn, EJ

    2014-01-01

    Based on molecular dynamics simulations, the melting points T-m of a series of 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquids [CnMIM][PF6] with n = 2, 4, 10, 12, and 14 were studied using the free energy-based pseudosupercritical path (PSCP) method. The experimental trend that the Tm decreases with increasing alkyl chain length for ILs with short alkyl chains and increases for the ones with long alkyl chains was correctly captured. Further analysis revealed that the different trends are the results of the balance between fusion enthalpy and fusion entropy. For the ILs with short alkyl chains (ethyl and butyl groups), fusion entropy plays the dominant role so that [C4MIM][PF6], which has a larger fusion entropy due to its higher liquid phase entropy has the lower melting temperature. As for the ILs with long alkyl chains, due to the enhanced van der Waals interactions brought about by the long non-polar alkyl chains, enthalpy becomes the deciding factor and the melting points increase when the alkyl chain goes from C10 to C14. While the melting points for [C2MIM][PF6] and [C4MIM][PF6] were quantitatively predicted and the trends for the long chain ILs were captured correctly, the absolute melting points for [C10MIM][PF6], [C12MIM][PF6] and [C14MIM][PF6] were systematically overestimated in the simulations. Three possible reasons for the overestimation were studied but all ruled out. Further simulation or experimental studies are needed to explain the difference.

  18. Location of gap nodes in the organic superconductors {kappa}-(ET){sub 2}Cu(NCS){sub 2} and {kappa}-(ET){sub 2}Cu[N(CN){sub 2}Br determined by magnetocalorimetry.

    SciTech Connect (OSTI)

    Malone, L.; Taylor, O. J.; Schlueter, J. A.; Carrington, A.; Materials Science Division; Univ. Bristol

    2010-07-16

    We report specific-heat measurements of the organic superconductors {kappa}-(ET){sub 2}Cu(NCS){sub 2} and {kappa}-(ET){sub 2}Cu[N(CN){sub 2}]Br. When the magnetic field is rotated in the highly conducting planes at low temperature (T = 0.4 K), we observe clear oscillations of specific heat which have a strong fourfold component. The observed strong field and temperature dependence of this fourfold component identifies it as originating from nodes in the superconducting energy gap which point along the in-plane crystal axes (d{sub xy} symmetry).

  19. Temperature measurement of an atmospheric pressure arc discharge plasma jet using the diatomic CN (B {sup 2}{sigma}{sup +}-X {sup 2}{sigma}{sup +}, violet system) molecular spectra

    SciTech Connect (OSTI)

    Moon, Se Youn; Kim, D. B.; Gweon, B.; Choe, W.

    2009-03-01

    The CN (B {sup 2}{sigma}{sup +}-X {sup 2}{sigma}{sup +}) molecular emission spectrum is used to measure both the vibrational and rotational temperatures in atmospheric pressure arc jet discharges. The vibrational and rotational temperature effects on the synthetic diatomic molecular spectra were investigated from the (v{sup '},v{sup ''})=(0,0) band to the (5,5) band. The temperatures obtained from the synthetic spectra compared with the experimental result of a low-frequency arc discharge show a vibrational temperature of (4250-5010) K and a rotational temperature of (3760-3980) K for the input power in the range of (80-280) W. As the (0,0) band is isolated from other vibrational transition bands, determination of the rotational temperature is possible based only on the (0,0) band, which simplifies the temperature measurement. From the result, it was found that the CN molecular spectrum can be used as a thermometer for atmospheric pressure plasmas containing carbon and nitrogen.

  20. A Linear trans -Bis(imido) Neptunium(V) Actinyl Analog: NpV (NDipp)2 ( tBu2 bipy)2Cl (Dipp = 2,6- i Pr2C6H3)

    SciTech Connect (OSTI)

    Brown, Jessie L.; Batista, Enrique R.; Boncella, James M.; Gaunt, Andrew J.; Reilly, Sean D.; Scott, Brian L.; Tomson, Neil C.

    2015-07-22

    We present the discovery that imido analogs of actinyl dioxo cations can be extended beyond uranium into the transuranic elements. Synthesis of the Np(V) complex, Np(NDipp)2(tBu2bipy)2Cl (1), is achieved through treatment of a Np(IV) precursor with a bipyridine co-ligand and lithium-amide reagent. Complex 1 has been structurally characterized, analyzed by 1H NMR and UV/vis/NIR spectroscopies, and the electronic structure evaluated by DFT calculations.

  1. Effect of Spin-Crossover-Induced Pore Contraction on CO2–Host Interactions in the Porous Coordination Polymers [Fe(pyrazine)M(CN)4] (M = Ni, Pt)

    SciTech Connect (OSTI)

    Culp, Jeffrey T; Chen, De-Li; Liu, Jinchen; Chirdon, Danielle; Kauffman, Kristi; Goodman, Angela; Johnson, J Karl

    2013-02-01

    Variable-temperature in situ ATR-FTIR spectra are presented for the porous spin-crossover compounds [Fe(pyrazine)Ni(CN)4] and [Fe(pyrazine)Pt(CN)4] under CO2 pressures of up to 8 bar. Significant shifts in the ν3 and ν2 IR absorption bands of adsorbed CO2 are observed as the host materials undergo transition between low- and high-spin states. Computational models used to determine the packing arrangement of CO2 within the pore structures show a preferred orientation of one of the adsorbed CO2 molecules with close O=C=O···H contacts with the pyrazine pillar ligands. The interaction is a consequence of the commensurate distance of the inter-pyrazine separations and the length of the CO2 molecule, which allows the adsorbed CO2 to effectively bridge the pyrazine pillars in the structure. The models were used to assign the distinct shifts in the IR absorption bands of the adsorbed CO2 that arise from changes in the O=C=O···H contacts that strengthen and weaken in correlation with changes in the Fe–N bond lengths as the spin state of Fe changes. The results indicate that spin-crossover compounds can function as a unique type of flexible sorbent in which the pore contractions associated with spin transition can affect the strength of CO2–host interactions.

  2. The initial vibrational level distribution and relaxation of HCN[{tilde {ital X}}{sup 1}{Sigma}{sup +}({ital v}{sub 1},0,{ital v}{sub 3})] in the CN({ital X}{sup 2}{Sigma}{sup +})+CH{sub 4}{r_arrow}HCN+CH{sub 3} reaction system

    SciTech Connect (OSTI)

    Bethardy, G.A.; Northrup, F.J.; Macdonald, R.G.

    1996-09-01

    The reaction of the cyano radical (CN) with methane was studied by time-resolved infrared absorption spectroscopy by monitoring individual rovibrational states of the HCN and CH{sub 3} products. The initial vibrational level distribution of the bendless vibrational levels of HCN({ital v}{sub 1},0,{ital v}{sub 3}) was determined by plotting the time dependence of the fractional population of a vibrational level and extrapolating these curves to the origin of time. About 20{percent} of the HCN products were observed to be initially produced in the HCN({ital v}{sub 1},0,{ital v}{sub 3}) vibrational levels, with {ital v}{sub 1} and {ital v}{sub 3}=0,1,2. The CN radical was created by laser photolysis of three different precursors. Each photolyte provided a different initial vibrational level distribution of CN; however, similar initial HCN({ital v}{sub 1},0,{ital v}{sub 3}) vibrational level distributions were obtained independent of the CN radical precursor. This may indicate that the CN radical does not act as a spectator bond during the course of a reactive encounter for this system. The time dependence of the CH{sub 3} (000{sup 0}0) ground state was also followed using time-resolved infrared absorption spectroscopy. Preliminary data indicates that a large fraction, if not all, the CH{sub 3} radicals are produced in their ground state in the title reaction. {copyright} {ital 1996 American Institute of Physics.}

  3. Microsoft Word - long-cn.doc

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

    Measurement (ARM) value-added product (VAP), as described in Long and Gaustad (2001). ... clouds on both the downwelling LW and SW portions of the surface radiative energy budget. ...

  4. PP-366_CX_CN.pdf

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  1. EA-348_FPL_Energy_CN.pdf

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  2. EA-355_Scotia_Capital_CN.pdf

    Office of Environmental Management (EM)

    4 Endure Energy, L.L.C. EA-354 Endure Energy, L.L.C. Order authorizing Endure Energy, L.L.C. to export electric energy to Canada EA-354 Endure Energy, L.L.C. (380.51 KB) More Documents & Publications Application to Export Electric Energy OE Docket No. EA-354 Endure Energy, L.L.C. EA-357 Hunt Electric Power Marketing, L.L.C. Application to Export Electric Energy OE Docket No. EA-354 Endure Energy, L.L.C.: Federal Register Notice Volume 74, No. 105 - Jun. 3, 2009

  3. EA-356_JP_Morgan_CN.pdf

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  5. EA-361_CX_CN.pdf

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    1 Aquilon Power Limited EA-361 Aquilon Power Limited Order authorizing Aquilon Power Limited to export electric energy to Canada EA-361 Aquilon Power Limited (3.33 MB) More Documents & Publications Record of Categorical Exclusion (CS) Determination, Office of Electricity Delivery and Energy Reliability (OE): EA-361 Aquilon Power Limited EA-196-B Minnesota Power EA-196-C Minnesota Power

  6. EA-363_CX_CN.pdf

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  11. IAEA-F1-CN69.pdf

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

    CONFINEMENT IN THE RFP: LUNDQUIST NUMBER SCALING, PLASMA FLOW, AND REDUCED TRANSPORT G. Fiksel, 1 A.F. Almagri, 1 J.K. Anderson, 1 T.M. Biewer, 1 D.L. Brower, 2 C-S. Chiang, 1 B.E. Chapman, 1 J.T. Chapman, 1 D.J. Craig, 1 N.A. Crocker, 1 D.J. Den Hartog, 1 P.W. Fontana, 1 C.B. Forest, 1 Y. Jiang, 2 A.K. Hansen, 1 D. Holly, 1 N.E. Lanier, 1 K.A. Mirus, 1 S.C. Prager, 1 J.S. Sarff, 1 U. Shah, 3 J.C. Sprott, 1 M.R. Stoneking, 4 and E. Uchimoto 5 1 Department of Physics, University of

  12. EA-137-A_NYSEG_CN.pdf

    Office of Environmental Management (EM)

    67: Final Environmental Assessment EA-1367: Final Environmental Assessment White Sturgeon Mitigation and Restoration in the Columbia & Snake River Upstream from Bonneville Dam Development of the hydropower system in the Columbia River Basin has had far-reaching effects on many species of fish and wildlife. The Bonneville Power Administration (BPA) is responsible for protecting, mitigating, and enhancing fish and wildlife affected by the development, operation, and management of Federal

  13. EA-171-C_Powerex_CN.pdf

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  19. Optimizing the FLASH code: preparing for Mira BG/Q and improving...

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

    April 30, 2013 10:00-11:00 PDT Oakland Scientific Facility Room 238 FLASH is a multi-physics, component-based scientific code which has been used on the largest HPC platforms...

  20. Torus Network on a BG/Q System | Argonne Leadership Computing...

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    Blue GeneQ Versus Blue GeneP BGQ Drivers Status Machine Overview Machine Partitions Torus Network Data Storage & File Systems Compiling & Linking Queueing & Running Jobs Data...

  1. Queuing and Running on BG/Q Systems FAQ | Argonne Leadership Computing

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    National Nuclear Security Administration | (NNSA) Questions, Comments, and Answers for Draft Request for Proposal Documents DE-SOL-0008470 Responses to Draft Solicitation (Updated May 23, 2016) Related Topics apm contract Sandia National Laboratories snl Related News NNSA Statement Regarding Nevada National Security Site Management & Operating Contract NNSA Awards Nevada National Security Site Management & Operating Contract to NVS3T Los Alamos National Laboratory Steam Plant Project

  2. LINE LISTS FOR THE A {sup 2}Π-X {sup 2}Σ{sup +} (RED) AND B {sup 2}Σ{sup +}-X {sup 2}Σ{sup +} (VIOLET) SYSTEMS OF CN, {sup 13}C{sup 14}N, AND {sup 12}C{sup 15}N, AND APPLICATION TO ASTRONOMICAL SPECTRA

    SciTech Connect (OSTI)

    Sneden, Christopher; Lucatello, Sara; Ram, Ram S.; Brooke, James S. A.; Bernath, Peter E-mail: sara.lucatello@oapd.inaf.it E-mail: jsabrooke@gmail.com

    2014-10-01

    New red and violet system line lists for the CN isotopologues {sup 13}C{sup 14}N and {sup 12}C{sup 15}N have been generated. These new transition data are combined with those previously derived for {sup 12}C{sup 14}N, and applied to the determination of CNO abundances in the solar photosphere and in four red giant stars: Arcturus, the bright, very low-metallicity star HD 122563, and the carbon-enhanced metal-poor stars HD 196944 and HD 201626. When both red and violet system lines are detectable in a star, their derived N abundances are in good agreement. The mean N abundances determined in this work are also generally in accord with published values.

  3. Measurement of BR(Bu to phi K)/BR(Bu to J/psi K) at the collider detector at Fermilab

    SciTech Connect (OSTI)

    Napora, Robert A

    2004-10-01

    This thesis presents evidence for the decay mode B{sup {+-}} {yields} {phi}K{sup {+-}} in p{bar p} collisions at {radical}s = 1.96 TeV using (120 {+-} 7)pb{sup -1} of data collected by the Collider Detector at Fermilab (CDF). This signal is then used to measure the branching ratio relative to the decay mode B{sup {+-}} {yields} J/{psi}K{sup {+-}}. The measurement starts from reconstructing the two decay modes: B{sup {+-}} {yields} {phi}K{sup {+-}}, where {phi} {yields} K{sup +}K{sup -} and B{sup {+-}} {yields} J/{psi}K{sup {+-}}, where J/{psi} {yields} {mu}{sup +}{mu}{sup -}. The measurement yielded 23 {+-} 7 B{sup {+-}} {yields} {phi}K{sup {+-}} events, and 406 {+-} 26 B{sup {+-}} {yields} J/{psi}K{sup {+-}} events. The fraction of B{sup {+-}} {yields} J/{psi}K{sup {+-}} events where the J/{psi} subsequently decayed to two muons (as opposed to two electrons) was found to be f{sub {mu}{mu}} = 0.839 {+-} 0.066. The relative branching ratio of the two decays is then calculated based on the equation: BR(B{sup {+-}} {yields} {phi}K{sup {+-}})/BR(B{sup {+-}} {yields} J/{psi}K{sup {+-}}) = N{sub {phi}K}/N{sub {psi}K} {center_dot}f{sub {mu}{mu}} BR(J/{psi} {yields} {mu}{sup +}{mu}{sup -})/BR({phi} {yields} K{sup +}K{sup -}) {epsilon}{sub {mu}{mu}}K/{epsilon}KKK R({epsilon}{sub iso}). The measurement finds BR(B{sup {+-}} {yields} {phi}K{sup {+-}})/BR(B{sup {+-}} {yields} J/{psi}K{sup {+-}}) = 0.0068 {+-} 0.0021(stat.) {+-} 0.0007(syst.). The B{sup {+-}} {yields} {phi}K{sup {+-}} branching ratio is then found to be BR(B{sup {+-}} {yields} {phi}K{sup {+-}}) = [6.9 {+-} 2.1(stat.) {+-} 0.8(syst.)] x 10{sup -6}. This value is consistent with similar measurements reported by the e{sup +}e{sup -} collider experiments BaBar[1], Belle[2], and CLEO[3].

  4. Magnetic field, frequency and temperature dependence of complex conductance of ultrathin La1.65Sr0.45CuO4/La2CuO4 films and the organic superconductors κ-(BEDT-TTF)2Cu[N(CN)2]Br

    SciTech Connect (OSTI)

    V. A. Gasparov; Bozovic, I.; He, Xi; Dubuis, G.; Pavuna, D.; Kushch, N. D.; Yagubskii, E. B.; Schlueter, J. A.

    2015-09-01

    In this study, we used atomic-layer molecular beam epitaxy (ALL-MBE) to synthesize bilayer films of a cuprate metal (La1.65Sr0.45CuO4) and a cuprate insulator (La2CuO4), in which interface superconductivity occurs in a layer that is just one-half unit cell thick. We have studied the magnetic field and temperature dependence of the complex sheet conductance, σ(ω), of these films, and compared them to κκ-(BEDT-TTF)2Cu[N(CN)2]Br single crystals. The magnetic field H was applied both parallel and perpendicular to the 2D conducting layers. Experiments have been carried out at frequencies between 23 kHz and 50 MHz using either two-coil mutual inductance technique, or the LC resonators with spiral or rectangular coils. The real and the imaginary parts of the mutual-inductance M(T,ω) between the coil and the sample were measured and converted to complex conductivity. For H perpendicular to the conducting layers, we observed almost identical behavior in both films and κ-Br single crystals: (i) the transition onset in the inductive response, Lk–1(T) occurs at a temperature lower by 2 K than in Re σ(T), (ii) this shift is almost constant with magnetic field up to 8 T; (iii) the vortex diffusion constant D(T) is exponential due to pinning of vortex cores. These results can be described by the extended dynamic theory of the Berezinski–Kosterlitz–Thouless (BKT) transition and dynamics of bound vortex–antivortex pairs with short separation lengths.

  5. Magnetic field, frequency and temperature dependence of complex conductance of ultrathin La1.65Sr0.45CuO4/La2CuO4 films and the organic superconductors κ-(BEDT-TTF)2Cu[N(CN)2]Br

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

    V. A. Gasparov; Bozovic, I.; He, Xi; Dubuis, G.; Pavuna, D.; Kushch, N. D.; Yagubskii, E. B.; Schlueter, J. A.

    2015-09-01

    In this study, we used atomic-layer molecular beam epitaxy (ALL-MBE) to synthesize bilayer films of a cuprate metal (La1.65Sr0.45CuO4) and a cuprate insulator (La2CuO4), in which interface superconductivity occurs in a layer that is just one-half unit cell thick. We have studied the magnetic field and temperature dependence of the complex sheet conductance, σ(ω), of these films, and compared them to κκ-(BEDT-TTF)2Cu[N(CN)2]Br single crystals. The magnetic field H was applied both parallel and perpendicular to the 2D conducting layers. Experiments have been carried out at frequencies between 23 kHz and 50 MHz using either two-coil mutual inductance technique, or themore » LC resonators with spiral or rectangular coils. The real and the imaginary parts of the mutual-inductance M(T,ω) between the coil and the sample were measured and converted to complex conductivity. For H perpendicular to the conducting layers, we observed almost identical behavior in both films and κ-Br single crystals: (i) the transition onset in the inductive response, Lk–1(T) occurs at a temperature lower by 2 K than in Re σ(T), (ii) this shift is almost constant with magnetic field up to 8 T; (iii) the vortex diffusion constant D(T) is exponential due to pinning of vortex cores. These results can be described by the extended dynamic theory of the Berezinski–Kosterlitz–Thouless (BKT) transition and dynamics of bound vortex–antivortex pairs with short separation lengths.« less

  6. FBP-ER-RIFS-BG-PLN-0036 Rev. 6 1 DOE/PPPO/03-0383&D4

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

    ... small parts; clean UF6 cylinders; recover uranium; test and inspect equipment; provide technical, production, and development support; and house spare parts and expendables. ...

  7. FBP-ER-RIFS-BG-PLN-0036 Rev. 6 1 DOE/PPPO/03-0383&D4

    Office of Environmental Management (EM)

    FBP Update Impacts Of DOE Uranium Barter Program On U.S. Domestic Industry Fluor-B&W Portsmouth LLC April 1, 2014 Frank Hahne FBP advocates full appropriation funding for Portsmouth D&D; but continued DOE UF6 uranium barter sales if appropriations are not forthcoming - In FBP's analysis based on objective measures to date conclude that the U.S. uranium mining, conversion and enrichment industries have not experienced an adverse material impact from DOE's Uranium Barter Program...... *

  8. EA-295-A_Merrill_Lynch_CN.pdf

    Office of Environmental Management (EM)

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  10. EA-296-B Rainbow Energy (CN).pdf

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  12. EA-297-B_SESCO_Canada_CN.pdf

    Office of Environmental Management (EM)

  13. EA-306-A MAG ES CN.pdf

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  14. EA-306-B MAG ES (CN).pdf

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  15. EA-315-A BP Energy_CN_0.pdf

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  18. EA-328-A RBC Energy (CN).pdf

    Office of Environmental Management (EM)

  19. EA-328-A RBC Energy CN.pdf

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  20. EA-330-A_RBS_Rescission_CN.pdf

    Office of Environmental Management (EM)

  1. EA-330_Royal_Bank_of_Scotland_CN.pdf

    Office of Environmental Management (EM)

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    Office of Environmental Management (EM)

  3. EA-344-A_Twin_Cities_Recission_CN.pdf

    Office of Environmental Management (EM)

    44 Twin Cities Power-Canada, LLC EA-344 Twin Cities Power-Canada, LLC Order authorizing Twin Cities Power-Canada, LLC to export electric energy to Canada EA- 344 Twin Cities Power-Canada, LLC (2.94 MB) More Documents & Publications EA-344-A Twin Cities Power EA-358 Twin Cities Energy, LLC EA-324 Emera Energy Services Subsidiary No. 4 LLC

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    Office of Environmental Management (EM)

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    Office of Environmental Management (EM)

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    Office of Environmental Management (EM)

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    Office of Environmental Management (EM)

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    Office of Environmental Management (EM)

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    Office of Environmental Management (EM)

  10. EA-367-A EDF Trading (CN).pdf

    Office of Environmental Management (EM)

    7 EDF Trading North America, LLC EA-367 EDF Trading North America, LLC Order authorizing EDF Trading North America, LLC to export electric energy to Canada EA-367 EDF Trading North America, LLC (3.35 MB) More Documents & Publications Record of Categorical Exclusion (CS) Determination, Office of Electricity Delivery and Energy Reliability (OE): EA-367 EDF Trading North America, LLC (EDF) EA-367-A EDF Trading North America,LLC Application to Export Electric Energy OE Docket No. EA-367-A EDF

  11. EA-368-A Brookfield Energy (CN).pdf

    Office of Environmental Management (EM)

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    Office of Environmental Management (EM)

  15. EA-422 Tidal Energy Mktg. (CN)_0.pdf

    Office of Environmental Management (EM)

  16. IAEA-CN-94/EX/C4-6

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

    Blog Archive IA Blog Archive RSS September 2, 2016 Deputy Secretary Sherwood-Randall Announces New Bilateral Energy and Climate Cooperation with India Earlier this week in New Delhi, India, Deputy Secretary Elizabeth Sherwood-Randall announced that the Department of Energy (DOE) will assign an energy attaché to the U.S. Embassy in New Delhi to support the Department's expanding portfolio of bilateral energy and climate collaboration with India. May 31, 2016 IA Blog Archive Global Energy Leaders

  17. EA-161-A_Duke_Energy_Indiana_CN.pdf

    Office of Environmental Management (EM)

  18. EA-185-C_Morgan_Stanley_CN.pdf

    Office of Environmental Management (EM)

    6: Final Environmental Assessment EA-1846: Final Environmental Assessment Demonstration of Carbon Dioxide Capture and Sequestration of Steam Methane Reforming Process Gas Used for Large-Scale Hydrogen Production, Jefferson and Brazoria Counties, Texas EA-1846-FEA-2011.pdf (30.11 MB) More Documents & Publications EIS-0464: Draft Environmental Impact Statement EIS-0464: Final Environmental Impact Statement EIS-0464: Record of Decision County, NV | Department of Energy

    8: Fulcrum Sierra

  19. EA-196-D Minnesota Power (CN).pdf

    Office of Environmental Management (EM)

  20. EA-209-D Cargill Power Markets (CN).pdf

    Office of Environmental Management (EM)

  1. EA-210-C PPL EnergyPlus CN.pdf

    Office of Environmental Management (EM)

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    Office of Environmental Management (EM)

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    Office of Environmental Management (EM)

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    Office of Environmental Management (EM)

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    Office of Environmental Management (EM)

  6. EA-283_Pub_Svs_of_CO___CN.pdf

    Office of Environmental Management (EM)

  7. EA-287-A_Emera_Sub_1_CN.pdf

    Office of Environmental Management (EM)

  8. Controlled Pd(0)/t Bu3P Catalyzed Suzuki Cross-Coupling Polymerization...

    Office of Scientific and Technical Information (OSTI)

    systems afforded functional polymers with >95% fidelity. Our results paved the road to access well-defined conjugated polymers, including conjugated polymers with complex ...

  9. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED...

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    Gas Reserve Class No 2001 gas reserves 0.1 - 10 MMCF 10.1 - 100 MMCF 100.1 - 1,000 MMCF 1,000.1 - 10,000 MMCF 10,000.1 - 100,000 MMCF > 100,000 MMCF Basin Outline Total Total Total...

  10. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED...

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    Liquids Reserve Class No 2001 liquids reserves 0.1 - 10 Mbbl 10.1 - 100 Mbbl 100.1 - 1,000 Mbbl 1,000.1 - 10,000 Mbbl 10,000.1 - 100,000 Mbbl Basin Outline Total Total Total Number...

  11. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED...

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    BOE Reserve Class No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1,000 MBOE 1,000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Basin Outline Total Total Total...

  12. BIG SANDY IDA ONEID A WILL IAM SBU RG BU RNIN G SPRIN GS WIN

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    Miles 2001 Gas Reserve Class No 2001 gas reserves 0.1 - 10 MMCF 10.1 - 100 MMCF 100.1 - 1,000 MMCF 1,000.1 - 10,000 MMCF 10,000.1 - 100,000 MMCF > 100,000 MMCF Appalachian ...

  13. BASIN VER DE GREAT ER ANETH BU G BAR KER DOME HOR SESH OE UTE...

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

    Lands' Oil and Gas Resources and Reserves and the Extent and Nature of Restrictions to Their Development", prepared by the US Departments of Interior, Agriculture and Energy. ...

  14. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED WASH

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    BOE Reserve Class No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1,000 MBOE 1,000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Basin Outline Total Total Total Number Liquid Gas BOE of Reserves Reserves Reserves Fields (Mbbl) (MMcf) (Mbbl) Uinta-Piceance 180 254,329 7,181,669 1,451,274 Basin Uinta-Piceance Basin Oil & Gas Fields By 2001 BOE

  15. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED WASH

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

    Gas Reserve Class No 2001 gas reserves 0.1 - 10 MMCF 10.1 - 100 MMCF 100.1 - 1,000 MMCF 1,000.1 - 10,000 MMCF 10,000.1 - 100,000 MMCF > 100,000 MMCF Basin Outline Total Total Total Number Liquid Gas BOE of Reserves Reserves Reserves Fields (Mbbl) (MMcf) (Mbbl) Uinta-Piceance 180 254,329 7,181,669 1,451,274 Basin Uinta-Piceance Basin Oil & Gas Fields By 2001 Gas

  16. ALT AMONT BLU EBELL NATUR AL BU TT ES PLAT EAU CATHED RAL RED WASH

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

    Liquids Reserve Class No 2001 liquids reserves 0.1 - 10 Mbbl 10.1 - 100 Mbbl 100.1 - 1,000 Mbbl 1,000.1 - 10,000 Mbbl 10,000.1 - 100,000 Mbbl Basin Outline Total Total Total Number Liquid Gas BOE of Reserves Reserves Reserves Fields (Mbbl) (MMcf) (Mbbl) Uinta-Piceance 180 254,329 7,181,669 1,451,274 Basin Uinta-Piceance Basin Oil & Gas Fields By 2001 Liquids

  17. BASIN VER DE GREAT ER ANETH BU G BAR KER DOME HOR SESH OE UTE...

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

    Map created June 2005; projection is UTM-13, NAD-27. Authors: Sam Limerick (1), Lucy Luo (1), Gary Long (2), David Morehouse (2), Jack Perrin (1), Steve Jackson (1) and Robert King ...

  18. BASIN VER DE GREAT ER ANETH BU G BAR KER DOME HOR SESH OE UTE...

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    Unnamed fields and fields generically named "wildcat" were renamed to a concatenate of their basin and state of occurrence, e.g. UPUT (Uinta-Piceance Basin and Utah). Map created ...

  19. BASIN VER DE GREAT ER ANETH BU G BAR KER DOME HOR SESH OE UTE DOME

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

    BOE Reserve Class 0 20 40 10 30 Miles ± The mapped oil and gas field boundary outlines were created by the Reserves and Production Division, Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). The boundaries are not informed by subsurface structural information. The data and methods used in their creation are detailed in a report, "Scientific Inventory of Onshore

  20. BASIN VER DE GREAT ER ANETH BU G BAR KER DOME HOR SESH OE UTE DOME

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

    Gas Reserve Class 0 20 40 10 30 Miles ± The mapped oil and gas field boundary outlines were created by the Reserves and Production Division, Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). The boundaries are not informed by subsurface structural information. The data and methods used in their creation are detailed in a report, "Scientific Inventory of Onshore

  1. BASIN VER DE GREAT ER ANETH BU G BAR KER DOME HOR SESH OE UTE DOME

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

    Liquids Reserve Class 0 20 40 10 30 Miles ± The mapped oil and gas field boundary outlines were created by the Reserves and Production Division, Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). The boundaries are not informed by subsurface structural information. The data and methods used in their creation are detailed in a report, "Scientific Inventory of

  2. BIG SANDY IDA ONEID A WILL IAM SBU RG BU RNIN G SPRIN GS WIN

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

    315 Miles ¯ 2001 BOE Reserve Class No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1,000 MBOE 1,000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Appalachian Basin Boundary Appalachian Basin, TN-KY (Panel 7 of 7) Oil and Gas Fields By 2001 BOE

  3. GLADY CASSIT Y VANDALIA MURPHY CR EEK BU CKHN-CENT URY CLAY

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

    WAYN ESBUR G PR UNT Y GLENVILLE S CAVE RUN TAYLOR DRAIN ROSEDALE ST MPT-N RMNT-SHK ... Authors: Sam Limerick (1), Lucy Luo (1), Gary Long (2), David Morehouse (2), Jack Perrin ...

  4. BIG SANDY IDA ONEID A WILL IAM SBU RG BU RNIN G SPRIN GS WIN

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

    100.1 - 1,000 MBOE 1,000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Appalachian Basin Boundary Appalachian Basin, TN-KY (Panel 7 of 7) Oil and Gas Fields By 2001 BOE

  5. Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2 Production

    SciTech Connect (OSTI)

    Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. S.; Liu, Tianbiao L.; DuBois, Daniel L.; Bullock, R. Morris

    2014-10-27

    A series of heteroleptic 17e- cobalt complexes, [CpCoII(PtBu2NPh2)](BF4), [CpC6F5CoII(PtBu2NPh2)](BF4), [CpC5F4NCoII(PtBu2NPh2)](BF4), [where P2tBuN2Ph = 1,5-diphenyl-3,7-di(tert-butyl)-1,5-diaza-3,7-diphosphacyclooctane, CpC6F5 = C5H4(C6F5), and CpC5F4N = C5H4(C5F4N)] were synthesized, and structures of all three were determined by X-ray crystallography. Electrochemical studies showed that the CoIII/II couple of [CpC5F4NCoII(PtBu2NPh2)]+ appears 250 mV positive of the CoIII/II couple of [CpCoII(PtBu2NPh2)] as a result of the strongly electron-withdrawing perfluorpyridyl substituent on the Cp ring. Reduction of these paramagnetic CoII complexes by KC8 led to the diamagnetic 18e- complexes CpICo(PtBu2NPh2), CpC6F5CoI(PtBu2NPh2), CpC5F4NCoI(PtBu2NPh2), which were also characterized by crystallography. Protonation of these neutral CoI complexes led to the cobalt hydrides [CpCoIII(PtBu2NPh2)H](BF4), [CpC6F5CoIII(PtBu2NPh2)H](BF4), and [CpC5F4NCoIII(PtBu2NPh2)H](BF4). The cobalt hydride with the most electron-withdrawing Cp ligand, [CpC5F4NCoIII(PtBu2NPh2)H]+ is an electrocatalyst for production of H2 using 4-MeOC6H4NH3BF4 (pKaMeCN = 11.86) with a turnover frequency of 350 s-1 and an overpotential of 0.75 V. Experimental measurement of thermochemical data provided further insights into the thermodynamics of H2 elimination. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  6. Template:FlexiBlock | Open Energy Information

    Open Energy Info (EERE)

    (654px wide instead of 314px) Background: nobg bg-green bg-grey bg-orange bg-pink bg-red bg-purple bg-purple-grey Custom: custom-flite-widget (helps format FLITE widgets with...

  7. Preliminary assessment report for Bee Caves Armory (former Nike BG-80 Fire Control Facility), Installation 48055, Austin, Texas. Installation Restoration Program

    SciTech Connect (OSTI)

    Dennis, C.

    1993-08-01

    This report presents the results of the preliminary assessment (PA) conducted by Argonne National Laboratory at the Texas Army National Guard (ARNG) property in Austin, Texas. Preliminary assessments of federal facilities are being conducted to compile the information necessary for completing, preremedial activities and to provide a basis for establishing corrective actions in response to releases of hazardous substances. The principal objective of the PA is to characterize the site accurately and determine the need for further action by examining, site activities, quantities of hazardous substances present, and potential pathways by which contamination could affect public health and the environment. This PA satisfies, for the Bee Caves Armory property, the requirements of the Department of Defense Installation Restoration Program. Of concern is the potential for hazardous waste to be present on the property as a result of the former Nike Missile Base operations or in the form of original construction materials. Environmentally sensitive operations associated with the property from that period include (1) underground fuel storage, (2) hazardous materials storage/use, (3) disposal of hazardous waste and (4) release of hazardous waste water.

  8. Photomagnetic Switching of the Complex [Nd(dmf)[subscript 4](H[subscript 2]O)[subscript 3]([mu]-CN)Fe(CN)[subscript 5

    SciTech Connect (OSTI)

    Svendsen, Helle; Overgaard, Jacob; Chevallier, Marie; Collet, Eric; Iversen, Bo B.

    2009-10-21

    Single-crystal XRD experiments (see picture) reveal the excited-state structure of the photomagnetic heterobimetallic title complex. The system shows a decrease in all the iron-ligand bond lengths, suggesting that photoexcitation involves a ligand-to-metal charge transfer or a change in the superexchange coupling between the metal centers.

  9. DOE-STD-1104-96 CN-1; Review and Approval of Nuclear Facility...

    Energy Savers [EERE]

    for facilities under the Office of Nuclear Energy, Science and Technology, was ... p. 12 Sect. 2.5 Safety Management Program Characteristics Requirements from 10 CFR ...

  10. Materials Data on CuCN (SG:160) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Materials Data on Zn(CN)2 (SG:102) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Materials Data on Be(CN)2 (SG:102) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Materials Data on Mg(CN)2 (SG:102) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  14. Materials Data on Al(CN)3 (SG:113) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on Cd(CN)2 (SG:215) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. DOE-STD-1042-93 CN-1; Guide to Good Practices for Control Area...

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

    DOE STANDARD GUIDE TO GOOD PRACTICES FOR CONTROL AREA ACTIVITIES U.S. Department of Energy ... KEYWORDS Ancillary Duties At-the-Controls Area Control Area DOE-STD-1042-93 iv ...

  17. DOE-HDBK-1113-98, CN 1, Reaffirm; Radiological Safety Training...

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

    ... The UO 2 powder is compacted into cylindrical pellets that are loaded into thin walled ... The UO 2 powder is compacted into cylindrical pellets that are loaded into thinwalled ...

  18. DOE-STD-1041-93 CN-1; Guide to Good Practices for Shift Routines...

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

    ... C Testing local alarm panel lights and sounds. Personnel should be instructed that safety ... to be communicated, and the method of communication (e.g., pagers, phone, face to face). ...

  19. Materials Data on Cd(CN)2 (SG:102) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  20. Materials Data on CuCN2 (SG:63) by Materials Project

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

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  1. DOE-STD-1040-93 CN-1; Guide to Good Practices for Control of...

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

    GUIDE TO GOOD PRACTICES FOR CONTROL OF ON-SHIFT TRAINING U.S. Department of Energy FSC ... Guide to Good Practices for Control of On-Shift Training PageSection Change pg. vii ...

  2. EA-321-A Emera Energy Svcs. Sub No. 1 CN.pdf

    Office of Environmental Management (EM)

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    Office of Environmental Management (EM)

  4. EA-421 ReEnergy Fort Fairfield Supplemental (CN).pdf

    Office of Environmental Management (EM)

  5. DOE-STD-1043-93 CN-1; Guide to Good Practices for Operator Aid...

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

    ... Listing reference documents used in the development process facilitates finding and updating operator aids when reference information changes. Placing an operator aid in a ...

  6. Materials Data on K2CN2 (SG:12) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  7. SF 6432-CN Standard Terms and Conditions for Fixed Price Commercial...

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

    Data, whichever is earlier. CLAUSE 208-CZ (12-93) COST ACCOUNTING STANDARDS CLAUSES MODIFIED COVERAGE I. DISCLOSURE AND CONSISTENCY OF COST ACCOUNTING PRACTICES (a) The...

  8. Materials Data on CsB(CN)4 (SG:88) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  9. Materials Data on AgB(CN)4 (SG:215) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. Materials Data on TlB(CN)4 (SG:88) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Materials Data on CuB(CN)4 (SG:215) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Materials Data on KTl(CN)4 (SG:88) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Materials Data on K2Cd(CN)4 (SG:227) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  14. Materials Data on RbB(CN)4 (SG:88) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on K2Pd(CN)4 (SG:14) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. Materials Data on LiB(CN)4 (SG:215) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. DOE-STD-1044-93 CN-1; Guide to Good Practices for Equipment and...

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

    ... loss of proper control of nuclear materials and processes. ... distribution and lighting panels C Emergency equipment (fire ... of compressed air, fuel oil, lube oil, and cooling ...

  18. Materials Data on ThCN (SG:12) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. EA-287-B Emera Energy U.S. Sub No. 1 (CN).pdf

    Office of Environmental Management (EM)

  20. IP CN Crosby, ND Natural Gas Pipeline Imports From Canada (Dollars per

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

    Thousand Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 2010's -- 4.16 1.68

  1. IP CN Crosby, ND Natural Gas Pipeline Imports From Canada (Dollars per

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

    Thousand Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2014 4.29 4.25 3.82 2.98 2015 2.10 2.28 2.30 2.17 2.04 1.72 1.57 1.58 1.69 1.66 1.40 1.04 2016 0.97

  2. DOE-HDBK-1130-98-CN2; DOE Handbook Radiological Worker Training

    Office of Environmental Management (EM)

    ... Hydrogen peroxide can damage cell atomic structures. 2) Ionizing radiation can also hit ... Acute doses to only part of the body 1) X-ray machines It is possible that radiation ...

  3. Materials Data on FeSn2(CN)6 (SG:147) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  4. Materials Data on FePb2(CN)6 (SG:147) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  5. DOE-STD-3007-93 CN-1; DOE Standard Guidelines For Preparing Criticalit...

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

    ... DOE-STD-3007-93 10 EXAMPLE 3 Contingency analysis for a dry fuel element staging area. ... This drain is routed to a single safe bottle mounted near the stairway at the scrubber ...

  6. Highly efficient greenish-blue platinum-based phosphorescent organic light-emitting diodes on a high triplet energy platform

    SciTech Connect (OSTI)

    Chang, Y. L. Gong, S. White, R.; Lu, Z. H.; Wang, X.; Wang, S.; Yang, C.

    2014-04-28

    We have demonstrated high-efficiency greenish-blue phosphorescent organic light-emitting diodes (PHOLEDs) based on a dimesitylboryl-functionalized C^N chelate Pt(II) phosphor, Pt(m-Bptrz)(t-Bu-pytrz-Me). Using a high triplet energy platform and optimized double emissive zone device architecture results in greenish-blue PHOLEDs that exhibit an external quantum efficiency of 24.0% and a power efficiency of 55.8?lm/W. This record high performance is comparable with that of the state-of-the-art Ir-based sky-blue organic light-emitting diodes.

  7. DOE - Fossil Energy:

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

    of Equatorial Guinea BG LNG Services, LLC 2288 FE06-05-LNG 010606 Arab Republic of Egypt BG LNG Services, LLC 2287 FE06-04-LNG 010606 Trinidad and Tobago BG LNG Services,...

  8. DOE-STD-1032-92 CN 1; Guide to Good Practices for Operations Organization and Administration

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

    2-92 December 1992 CHANGE NOTICE NO.1 December 1998 DOE STANDARD GUIDE TO GOOD PRACTICES FOR OPERATIONS ORGANIZATION AND ADMINISTRATION U.S. Department of Energy AREA MISC Washington, D.C. 20585 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. This document has been reproduced from the best available copy. Available to DOE and DOE contractors from ES&H Technical Information Services, U.S. Department of Energy, (800) 473-4375, fax: (301) 903-9823. Available to

  9. DOE-STD-1045-93 CN-1; Guide to Good Practices for Notifications and Investigation of Abnormal Events

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

    5-93 June 1993 CHANGE NOTICE NO. 1 December 1998 DOE STANDARD GUIDE TO GOOD PRACTICES FOR NOTIFICATIONS AND INVESTIGATION OF ABNORMAL EVENTS U.S. Department of Energy AREA MISC Washington, D.C. 20585 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. This document has been reproduced from the best available copy. Available to DOE and DOE contractors from ES&H Technical Information Services, U.S. Department of Energy, (800) 473-4375, fax: (301) 903-9823.

  10. Heat and corrosion resistant cast CN-12 type stainless steel with improved high temperature strength and ductility

    DOE Patents [OSTI]

    Mazias, Philip J.; McGreevy, Tim; Pollard,Michael James; Siebenaler, Chad W.; Swindeman, Robert W.

    2007-08-14

    A cast stainless steel alloy and articles formed therefrom containing about 0.5 wt. % to about 10 wt. % manganese, 0.02 wt. % to 0.50 wt. % N, and less than 0.15 wt. % sulfur provides high temperature strength both in the matrix and at the grain boundaries without reducing ductility due to cracking along boundaries with continuous or nearly-continuous carbides. Alloys of the present invention also have increased nitrogen solubility thereby enhancing strength at all temperatures because nitride precipitates or nitrogen porosity during casting are not observed. The solubility of nitrogen is dramatically enhanced by the presence of manganese, which also retains or improves the solubility of carbon thereby providing additional solid solution strengthening due to the presence of manganese and nitrogen, and combined carbon. Such solution strengthening enhances the high temperature precipitation-strengthening benefits of fine dispersions of NbC. Such solid solution effects also enhance the stability of the austenite matrix from resistance to excess sigma phase or chrome carbide formation at higher service temperatures. The presence of sulfides is substantially eliminated.

  11. Materials Data on CuP2H8CN2O5 (SG:15) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Synthesis, NMR spectra, and structure of rhodium hydride complexes with Rh-Sn bonds

    SciTech Connect (OSTI)

    Krut'ko, B.P.; Permin, A.B.; Petrosyan, V.S.; Reutov, O.A.

    1985-06-20

    The authors study the hydride complexes using Sn 119 and H 1 NMR spectroscopy. The spectra were taken in a pulse mode on a Varian FT-80A spectrometer equipped with a wideband system at 29.66 and 79.54 MHz. The Sn 119 and H 1 NMR spectral parameters for a solution of the complex (Bu/sub 4/N)/sub 3/ (HRh(SnCl/sub 3/)/sub 5/) in CD/sub 3/CN are shown, the spectra show that the (HRh(SnCl/sub 3/)/sub 5/)/sup 3 -/ anion has octahedral structure with four equatorial and one axial Rh-Sn bonds. New rhodium hydride complexes with general formula (R/sub 4/N)/sub 3/(HRh(SnCl/sub 3/)/sub 5/) were synthesized.

  13. Assignment of the luminescing states of [Au{sup 1}Rh{sup 1}({sup t}BuNC){sub 2}({mu}-dppm){sub 2}][PF{sub 6}]{sub 2}

    SciTech Connect (OSTI)

    Striplin, D.R.; Crosby, G.A.

    1995-07-13

    Fluorescence, phosphorescence, and excitation spectra were measured on the title compound. These results were augmented with polarization ratios obtained at 77 K and detailed studies of the temperature dependence of the phosphorescence in the 77-4 K range. The phosphorescence decay rate at K was also recorded as a function of an applied magnetic field. All the results are consistent with a 4d{sub z}Rh{sup 1} {yields} 6p{sub 2}Au{sup 1} orbital promotion leading to emitting {sup 1}A, {sup 3}A{sub 1} terms in pseudo-C{sub 2v} symmetry. The {sup 3}A{sub 1} term is split by spin-orbit coupling into a forbidden A{sub 2} state lying lowest followed by a quasi-degenerate pair, [B{sub 1}(x), B{sub 2}(y)] lying approximately 16 cm{sup -1} higher that decays >500 times faster than the lowest one. 28 refs., 6 figs.

  14. Small-angle neutron scattering study of the short-range organization of dispersed CsNi[Cr(CN){sub 6}] nanoparticles

    SciTech Connect (OSTI)

    Ridier, Karl; Gillon, Béatrice; André, Gilles; Chaboussant, Grégory; Catala, Laure; Mazérat, Sandra; Mallah, Talal

    2015-09-21

    Prussian blue analogues magnetic nanoparticles (of radius R{sub 0} = 2.4–8.6 nm) embedded in PVP (polyvinylpyrrolidone) or CTA{sup +} (cetyltrimethylammonium) matrices have been studied using neutron diffraction and small angle neutron scattering (SANS) at several concentrations. For the most diluted particles in neutral PVP, the SANS signal is fully accounted for by a “single-particle” spherical form factor with no structural correlations between the nanoparticles and with radii comparable to those inferred from neutron diffraction. For higher concentration in PVP, structural correlations modify the SANS signal with the appearance of a structure factor peak, which is described using an effective “mean-field” model. A new length scale R{sup * }≈ 3R{sub 0}, corresponding to an effective repulsive interaction radius, is evidenced in PVP samples. In CTA{sup +}, electrostatic interactions play a crucial role and lead to a dense layer of CTA{sup +} around the nanoparticles, which considerably alter the SANS patterns as compared to PVP. The SANS data of nanoparticles in CTA{sup +} are best described by a core-shell model without visible inter-particle structure factor.

  15. Final Scientific/Technical Report Grant title: Use of ARM Measurements of Spectral Zenith Radiance for Better Understanding of 3D Cloud-Radiation Processes and Aerosol-Cloud Interaction This is a collaborative project with the NASA GSFC project of Dr. A. Marshak and W. Wiscombe (PIs). This report covers BU activities from February 2011 to June 2011 and BU "no-cost extension" activities from June 2011 to June 2012. This report summarizes results that complement a final technical report submitted by the PIs in 2011.

    SciTech Connect (OSTI)

    Knyazikhin, Y

    2012-09-10

    Main results are summarized for work in these areas: spectrally-invariant approximation within atmospheric radiative transfer; spectral invariance of single scattering albedo for water droplets and ice crystals at weakly absorbing wavelengths; seasonal changes in leaf area of Amazon forests from leaf flushing and abscission; and Cloud droplet size and liquid water path retrievals from zenith radiance measurements.

  16. Alkane functionalization at ([mu]-Oxo)diiron(III) centers

    SciTech Connect (OSTI)

    Leising, R.A.; Kim, J.; Perez, M.A.; Que, L. Jr. )

    1993-10-20

    The reactivity of ([mu]-oxo)diferric complexes with [sup t]BuOOH (TBHP) for the functionalization of alkanes in CH[sub 3]CN has been investigated as part of our efforts to model dinuclear sites in nonheme iron enzymes. [Fe[sub 2](TPA)[sub 2]O(OAc)](CIO[sub 4])[sub 3] (1) (TPA = tris(2-pyridylmethyl)amine, OAc = acetate) is an efficient catalyst for cyclohexane oxidation, affording cyclohexanol (A, 9 equiv), cyclohexanone (K, 11 equiv), and (tert-butylperoxy)cyclohexane (P, 16 equiv) in 0.25 h at ambient temperature and pressure under an argon atmosphere. The catalyst is remarkably robust, as indicated by the [sup 1]H NMR and UV-vis spectra of the reaction mixture during the catalytic reaction and by its ability to maintain its turnover efficiency with subsequent additions of oxidant. The catalytic mechanism for TBHP utilization was explored by observing the effects of varying the tripodal ligands on the ([mu]-oxo)([mu]-carboxylato)diferric catalysts and varying the bridge on Fe[sub 2]O(TPA)[sub 2] catalysts. The (A + K)/P ratio increased as the ligands became more electron donating. Solvent also played an important role in determining the partitioning of products between A + K and P, with benzonitrile favoring hydroxylated products at the expense of P and pyridine having the opposite effect. 49 refs., 2 figs., 3 tabs.

  17. Electrodynamics of the organic superconductorsinebreak [kappa]-(BEDT-TTF)[sub 2]Cu(NCS)[sub 2] and [kappa]-(BEDT-TTF)[sub 2]Cu[N(CN)[sub 2

    SciTech Connect (OSTI)

    Dressel, M.; Klein, O.; Gruener, G. ); Carlson, K.D.; Wang, H.H.; Williams, J.M. )

    1994-11-01

    We have performed measurements of the surface impedance in the normal and superconducting states of the title compounds in the millimeter wave-frequency range (1--3 cm[sup [minus]1]), and have evaluated the complex conductivity for different crystallographic orientations. Above the transition temperature, the materials behave like metals with a scattering rate of approximately 20 cm[sup [minus]1]. In the superconducting state the electrodynamics is in good agreement with calculations based on a BCS ground state: while the penetration depth and the coherence length are anisotropic, the superconducting energy gap shows no indications of line nodes.

  18. Preparation of NaGdS{sub 2} via thermolysis of Gd[S{sub 2}CN(C{sub 4}H{sub 8})]{sub 3}-phen complexes and sodium diethyldithiocarbamate mixtures

    SciTech Connect (OSTI)

    Luo, Xixian; Ma, Lubin; Xing, Mingming; Fu, Yao; Zhou, Xiaolin; Sun, Min

    2013-05-15

    Highlights: ► We adopt a new and simple thermolysis method to synthesise NaGdS{sub 2} compounds. ► The obtained NaGdS{sub 2} presents a microrod morphology with a length diameter ratio of 2.1. ► NaGdS{sub 2} has excellent transmission over a very wide range of wavelengths (>430 nm). ► The route may be used for the synthesis of other AREX{sub 2}-based materials or nanocrystals. - Abstract: A novel, simple thermolysis method is adopted to prepare alkali metal rare earth ternary sulphide NaGdS{sub 2} using Gd(S{sub 2}CNEt{sub 2}){sub 3-}phen complexes and NaS{sub 2}CNEt{sub 2}·3H{sub 2}O mixtures as precursors in a nitrogen atmosphere at 600–1000 °C. The obtained NaGdS{sub 2} presents a microrod morphology with an average diameter of 112 nm, average length of 236 nm, and length diameter ratio of 2.1. Furthermore, the as-prepared NaGdS{sub 2} has excellent transmission over a very wide range of wavelengths (>430 nm) and may be an ideal IR window material.

  19. DOE Hydrogen and Fuel Cells Program Record #13007: Industry Deployed...

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

    Record 13007: Industry Deployed Fuel Cell Backup Power (BuP) DOE Hydrogen and Fuel Cells Program Record 13007: Industry Deployed Fuel Cell Backup Power (BuP) This record from the ...

  20. Scalasca | Argonne Leadership Computing Facility

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

    Data Transfer Debugging & Profiling Performance Tools & APIs Tuning MPI on BG/Q Tuning and Analysis Utilities (TAU) HPCToolkit HPCTW mpiP gprof Profiling Tools Darshan PAPI BG/Q Performance Counters BGPM Openspeedshop Scalasca BG/Q DGEMM Performance Automatic Performance Collection (AutoPerf) Software & Libraries IBM References Cooley Policies Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource.

  1. EIS-0002: Allocation of Petroleum Feedstock, Baltimore Gas & Electric Co., Sollers Point SNG Plant, Sollers Point, Baltimore County, MD

    Broader source: Energy.gov [DOE]

    The Economic Regulatory Administration (ERA) developed this EIS to evaluate the social, economic and environmental impacts which may occur within the Baltimore Gas and Electric Company (BG&E) service area as a result of the ERA' s proposed decision to allocate up to 2,186,000 barrels per year of naphtha feedstock to BG&E to operate BG&E's existing synthetic natural gas facility located on Sollers Point in Baltimore County, Maryland.

  2. Automatic Performance Collection (AutoPerf) | Argonne Leadership Computing

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

    Facility Performance Tools & APIs Tuning MPI on BG/Q Tuning and Analysis Utilities (TAU) HPCToolkit HPCTW mpiP gprof Profiling Tools Darshan PAPI BG/Q Performance Counters BGPM Openspeedshop Scalasca BG/Q DGEMM Performance Automatic Performance Collection (AutoPerf) Software & Libraries IBM References Cooley Policies Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] Automatic

  3. Advance Patent Waiver W(A)2008-042

    Broader source: Energy.gov [DOE]

    This is a request by Novozymes Inc. for a DOE waiver of domestic and foreign patent rights under agreement DE-FC36-0BG01BOBO

  4. FirstNet Template

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

    ... compare BG figures to national figures on population by minority group or poverty status. ... identified with the annual statistical poverty thresholds from the Bureau of the Census' ...

  5. Underground and Ventilation System

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

    * Opening Comments - Mayor Janway * Panel Member Introductions - Ben Williams ... and BG-4s approached the waste face in Panel 7 * No cause of event source visible * ...

  6. Eco Sustainable Solutions Ltd | Open Energy Information

    Open Energy Info (EERE)

    Sustainable Solutions Ltd Jump to: navigation, search Name: Eco Sustainable Solutions Ltd Place: Dorset, United Kingdom Zip: BH23 6BG Sector: Biomass Product: Focused on organics...

  7. IO6264 OAK RIDGE NATIONAL LABORATORY POST OFFICE BOX 2008 WEMTED...

    Office of Legacy Management (LM)

    Williams: IndcperrdentVerihiatianoftbcConditioDofthtOIdBgOwnedbytht Gmnite city steel ... condition of the old betatron building owned by the Granite City Steel Corporation. ...

  8. Evaluation of methane emissions of some rice cultivars of Sri Lanka

    SciTech Connect (OSTI)

    Namaratne, S.Y.; Alwis, H.P.W. de

    1996-12-31

    A field experiment on three local rice cultivars, namely BG 300, BG 304 and AT 303, showed no statistically significant difference (p<0.05) among them with-respect to the methane flux emitted. The methane flux profiles of all three varieties indicated a more or less constant emission during the vegetative and reproductive periods, a peak emission during late flowering/early ripening stage and a dramatic increase in the flux during the late ripening period. The seasonal methane flux of BG 300, BG 304 and AT 303 were 200 {+-} 48, 156 {+-} 52 and 129 {+-} 40 g m{sup {minus}2}, respectively for a 92 day cropping period.

  9. GE Opens New Global R&D Center in Brazil - GE Global Research

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

    ... Offshore Drilling with BG Group - Offshore drilling increases in complexity and cost as exploration and production activity goes deeper. In Brazil's thick pre-salt layer, extremely ...

  10. 13C

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

    C Thermal Neutron Capture Evaluated Data Measurements 1967RA24: 12C(n, γ), E = thermal; measured Eγ; deduced Q. 1968SP01: 12C(n, γ), E = thermal; measured Eγ, Iγ; deduced Q. 13C deduced levels, branchings. 1971JUZS: 12C(n, γ), E = thermal; measured Eγ, Iγ. 13C deduced transitions. 1974SP04: 12C(n, γ); measured Eγ; deduced Q. 1975SM02: 12C(n, γ); measured atomic mass. 1981MUZU: 12C(n, γ), E = thermal; measured σ(capture), ratio. 1982JU01: 12C(n, γ), E = thermal; measured Eγ, Iγ,

  11. ARM2007_STM_poster_v1

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

    ... Kim, B.-G, M. Miller, S. Schwartz, Y. Liu, Q. Min, (2008), JGR, doi:10.1029 2007JD008961. Kim, B.-G, S. Klein, J. Norris (2005), JGR, doi:10.10292004JD005122. Lu, M.-L, W.C. ...

  12. DOE - Fossil Energy:

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

    Can Ocean State Power I 2103 FE05-27-NG 042505 Can Ocean State Power I 2105 FE05-114-LNG 120905 TrinTabogo BG LNG Services, LLC 2199 FE05-115-LNG 120905 Various Sources BG...

  13. 14C

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

    Thermal Neutron Capture Evaluated Data Measurements 1975SM02: 13C(n, γ); measured atomic mass. 1981MUZU: 13C(n, γ), E = thermal; measured σ(capture), ratio. 14C level deduced spectroscopic factor. 1982MU14: 13C(n, γ), E = thermal; measured σ(Eγ), Iγ; deduced capture mechanism. 1987LY01, 1987LYZY: 13C(n, γ), E = thermal; calculated capture σ. 1990RA03: 13C(n, γ), E = resonance; measured Eγ, Iγ. 14C levels deduced partial, total Γγ. Valence capture mechanism. 1992JUZZ: 13C(n, γ);

  14. TO. TO. , W. B; Harris, Chief, Industrial Hygiene'Branch DA ...

    Office of Legacy Management (LM)

    To study operations planned byBu.reau of Ea: factors for Be, II, thorium, zirconium, etc, ... laboratory paper. containing uranium ;thorium ,,beryllium and zirconi turned to AEC ...

  15. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Katz, Emanuel Stanford Institute for Theoretical Physics, Stanford University, Stanford, CA 94305 (United States) (1) Katz, Emanuel, E-mail: bfeldste@buphy.bu.edu, E-mail: ...

  16. Lattice Quantum Chromodynamics

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

    Lattice Quantum Chromodynamics Lattice Quantum Chromodynamics QCD-BU.jpg Key Challenges: Although the QCD theory has been extensively tested at at high energies, at low energies or...

  17. Mr. John E. Kieling, Bureau Chief Hazardous Waste Bureau

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

    Resource Protection Division New Mexico Environment Department 2905 Rodeo Park Drive East, Building 1 Santa Fe, NM 87508-6303 New Mexico Environment Department Harold Runnels Bu ...

  18. Envirocapital | Open Energy Information

    Open Energy Info (EERE)

    Envirocapital Jump to: navigation, search Name: Envirocapital Place: London, United Kingdom Zip: EC4M 8BU Sector: Renewable Energy Product: Provides corporate finance advice to the...

  19. Alternative Energy Finance | Open Energy Information

    Open Energy Info (EERE)

    Finance Jump to: navigation, search Name: Alternative Energy Finance Place: London, United Kingdom Zip: NW11 8BU Sector: Renewable Energy Product: String representation...

  20. A=19Ne (1978AJ03)

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

    8AJ03) (See Energy Level Diagrams for 19Ne) GENERAL: See (1972AJ02) and Table 19.24 [Table of Energy Levels] (in PDF or PS). Nuclear models: (1972EN03, 1972NE1B, 1972WE01, 1973DE13, 1977BU05). Electromagnetic transitions: (1972EN03, 1972LE06, 1973HA53, 1973PE09, 1977BU05). Special states: (1972EN03, 1972GA14, 1972HI17, 1972NE1B, 1972WE01, 1977BU05, 1977SC08). Complex reactions involving 19Ne: (1976HI05, 1977BU05). Astrophsyical questions: (1973CL1E). Muon capture: (1972MI11). Pion capture and

  1. Functional Area Qualification Standards | Department of Energy

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

    Qualification Standard Qualification Standard Number Approved Aviation Manager DOE-STD-1165-2003 (CN-1) 2009-12 Aviation Safety Officer DOE-STD-1164-2003 (CN-1) 2010-01 Chemical ...

  2. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Li Qiang ; Wan, Xiang ; Shi, Yi, E-mail: wanqing@nju.edu.cn, E-mail: yshi@nju.edu.cn The idea of building a brain-inspired cognitive system has been around for several decades. ...

  3. National Environmental Policy Act (NEPA) | Department of Energy

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

    Congestion Study 11302010--EDF Trading N.A. Export Authorization MX (EA-373) 11... CN (EA-368) 06172010--EDF Trading N.A. Export Authorization CN (EA-367) 06...

  4. Flow battery

    DOE Patents [OSTI]

    Lipka, Stephen M.; Swartz, Christopher R.

    2016-02-23

    An electrolyte system for a flow battery has an anolyte including [Fe(CN).sub.6].sup.3- and [Fe(CN).sub.6].sup.4- and a catholyte including Fe.sup.2+ and Fe.sup.3+.

  5. Shell Future Fuels and CO2 | Open Energy Information

    Open Energy Info (EERE)

    Shell Future Fuels and CO2 Jump to: navigation, search Name: Shell Future Fuels and CO2 Place: Glasgow, Scotland, United Kingdom Zip: G1 9BG Sector: Hydro, Hydrogen Product:...

  6. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... HANFORD DOUBLE SHELL TANK THERMAL AND SEISMIC PROJECT SEISMIC ANALYSIS OF HANFORD DOUBLE SHELL TANKS MACKEY TC ; RINKER MW ; CARPENTER BG ; HENDRIX C ; ABATT FG M&D Professional ...

  7. U.S. Department of Commerce National Technical Information Service

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

    ... LLW MLLW (on-site) 0 2 1 34 9,986 Totals 1,041 821,188 ... EN 9 GENERAL ATOMICS, CA BG 10 IDAHO NATIONAL LABORATORY, ... of Federal Regulations (CFR), "Transportation," and are ...

  8. 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...

  9. TIlE UNIVERSITY OF CHICAGO OFFICE OF FACILITIES PLANNING & MANAGEMENT

    Office of Legacy Management (LM)

    of the building. If you need additional infonnation please conta<:t me. incerely, * l('d I :ynn C. Bender Director LCB:bg cc: Sam Golden Roy Madrel * II-104 TOTL P.01...

  10. DOE - Fossil Energy: 2011 Long Term Applications

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    Impt Expt Country Application Link Company Dkt. Index Ord. No. 11-09-LNG 012511 I Egypt BG LNG Services, LLC Dkt. Index 2917 11-51-LNG 042111 E Re-export Freeport LNG...

  11. Office of Fossil Energy

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

    Pass, TX - - - - - - - - - - - - - Gulf LNG, MS - - - - - - - - - - - - - Lake Charles, ... June July Aug Sept Oct Nov Dec TOTAL BG LNG 3.1 - 0.4 - - 1.9 - - - 1.8 - - 7.2 BP ...

  12. Office of Fossil Energy

    Office of Environmental Management (EM)

    - 0.0 Golden Pass, TX - - - - - - 0.0 Gulf LNG, MS - - - - - - 0.0 Lake Charles, LA - - - ... June July Aug Sept Oct Nov Dec TOTAL BG LNG - - 2.9 - - - 2.9 BP Energy - - - - - - 0.0 ...

  13. Bulgaria: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    Country Profile Name Bulgaria Population 7,364,570 GDP 57,596,000,000 Energy Consumption 0.83 Quadrillion Btu 2-letter ISO code BG 3-letter ISO code BGR Numeric ISO...

  14. DOE - Fossil Energy:

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

    071108 Trinidad and Tobago BG LNG Services, LLC 2527 FE08-136-NG 111908 Mex Energia Chihuahua, S.A., de C.V. 2592 08-152-LNG 122308 Qatar Total Gas & Power North...

  15. Performance Evaluation and Analysis Consortium (PEAC) End Station | Argonne

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

    Leadership Computing Facility Allgather implementations on 32K BG/P cores, highlighting the bucket algorithm from UIUC Allgather implementations on 32K BG/P cores, highlighting the "bucket" algorithm from UIUC. Leonid Oliker, Lawrence Berkeley National Laboratory Performance Evaluation and Analysis Consortium (PEAC) End Station PI Name: Leonid Oliker PI Email: loliker@lbl.gov Institution: Lawrence Berkeley National Laboratory Allocation Program: INCITE Allocation Hours at ALCF: 30

  16. Performance Evaluation and Analysis Consortium (PEAC) End Station | Argonne

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

    Leadership Computing Facility Allgather implementations on 32K BG/P cores, highlighting the "bucket" algorithm from UIUC Allgather implementations on 32K BG/P cores, highlighting the "bucket" algorithm from UIUC. Leonid Oliker, Lawrence Berkeley National Laboratory Performance Evaluation and Analysis Consortium (PEAC) End Station PI Name: Leonid Oliker PI Email: loliker@lbl.gov Institution: Lawrence Berkeley National Laboratory Allocation Program: INCITE Allocation Hours

  17. Performance Evaluation and Analysis Consortium End Station | Argonne

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

    Leadership Computing Facility Allgather implementations on 32K BG/P cores, highlighting the "bucket" algorithm from UIUC. Allgather implementations on 32K BG/P cores, highlighting the "bucket" algorithm from UIUC. Credit: Leonid Oliker, Lawrence Berkeley National Laboratory Performance Evaluation and Analysis Consortium End Station PI Name: Leonid Oliker PI Email: loliker@lbl.gov Institution: Lawrence Berkeley National Laboratory Allocation Program: INCITE Allocation

  18. Everest Refrigeration: Order (2015-SE-42001)

    Broader source: Energy.gov [DOE]

    DOE ordered Bu Sung America Corporation (dba Everest Refrigeration) to pay a $12,080 civil penalty after finding Bu Sung had manufactured and distributed in commerce in the U.S. at least 64 units of noncompliant commercial refrigerator basic model ESGR3.

  19. Microsoft Word - S06397_Apr09 thru Mar10.doc

    Office of Legacy Management (LM)

    ... 5062.19 5059.6 2 03-Apr-00 731569 1871746 0266 MW D 4890.6 4870.6 4850.6 160.0 180.0 ... NS 0264 D 0.0031 2001 0.0005 B 0.00087 BU 0266 D 0.00058 2001 0.00061 B 0.00082 BU 0272 D ...

  20. A=18O (1983AJ01)

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

    1979DA15, 1979WU06, 1980GO01, 1980KU05, 1980MA18, 1981EL1D, 1982KI02, 1982OL01). Cluster, collective and deformed models: (1977BU22, 1978BU03, 1978CH26, 1978PI1E,...

  1. A faux hawk fullerene with PCBM-like properties

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

    San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, Shihu; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue B.; et al

    2014-12-16

    Reaction of C60, C6F5CF2I, and SnH(n-Bu)3 produced, among other unidentified fullerene derivatives, the two new compounds 1,9-C60(CF2C6F5)H (1) and 1,9-C60(cyclo-CF2(2-C6F4)) (2). The highest isolated yield of 1 was 35% based on C60. Depending on the reaction conditions, the relative amounts of 1 and 2 generated in situ were as high as 85% and 71%, respectively, based on HPLC peak integration and summing over all fullerene species present other than unreacted C60. Compound 1 is thermally stable in 1,2-dichlorobenzene (oDCB) at 160 °C but was rapidly converted to 2 upon addition of Sn2(n-Bu)6 at this temperature. In contrast, complete conversion ofmore » 1 to 2 occurred within minutes, or hours, at 25 °C in 90/10 (v/v) PhCN/C6D6 by addition of stoichiometric, or sub-stoichiometric, amounts of proton sponge (PS) or cobaltocene (CoCp2). DFT calculations indicate that when 1 is deprotonated, the anion C60(CF2C6F5)- can undergo facile intramolecular SNAr annulation to form 2 with concomitant loss of F-. To our knowledge this is the first observation of a fullerene-cage carbanion acting as an SNAr nucleophile towards an aromatic C–F bond. The gas-phase electron affinity (EA) of 2 was determined to be 2.805(10) eV by low-temperature PES, higher by 0.12(1) eV than the EA of C60 and higher by 0.18(1) eV than the EA of phenyl-C61-butyric acid methyl ester (PCBM). In contrast, the relative E1/2(0/-) values of 2 and C60, -0.01(1) and 0.00(1) V, respectively, are virtually the same (on this scale, and under the same conditions, the E1/2(0/-) of PCBM is -0.09 V). Time-resolved microwave conductivity charge-carrier yield x mobility values for organic photovoltaic active-layer-type blends of 2 and poly-3-hexylthiophene (P3HT) were comparable to those for equimolar blends of PCBM and P3HT. The structure of solvent-free crystals of 2 was determined by single-crystal X-ray diffraction. The number of nearest-neighbor fullerene–fullerene interactions with centroid

  2. A faux hawk fullerene with PCBM-like properties

    SciTech Connect (OSTI)

    San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, Shihu; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue B.; Boltalina, Olga V.; Strauss, Steven H.

    2014-12-16

    Reaction of C60, C6F5CF2I, and SnH(n-Bu)3 produced, among other unidentified fullerene derivatives, the two new compounds 1,9-C60(CF2C6F5)H (1) and 1,9-C60(cyclo-CF2(2-C6F4)) (2). The highest isolated yield of 1 was 35% based on C60. Depending on the reaction conditions, the relative amounts of 1 and 2 generated in situ were as high as 85% and 71%, respectively, based on HPLC peak integration and summing over all fullerene species present other than unreacted C60. Compound 1 is thermally stable in 1,2-dichlorobenzene (oDCB) at 160 °C but was rapidly converted to 2 upon addition of Sn2(n-Bu)6 at this temperature. In contrast, complete conversion of 1 to 2 occurred within minutes, or hours, at 25 °C in 90/10 (v/v) PhCN/C6D6 by addition of stoichiometric, or sub-stoichiometric, amounts of proton sponge (PS) or cobaltocene (CoCp2). DFT calculations indicate that when 1 is deprotonated, the anion C60(CF2C6F5)- can undergo facile intramolecular SNAr annulation to form 2 with concomitant loss of F-. To our knowledge this is the first observation of a fullerene-cage carbanion acting as an SNAr nucleophile towards an aromatic C–F bond. The gas-phase electron affinity (EA) of 2 was determined to be 2.805(10) eV by low-temperature PES, higher by 0.12(1) eV than the EA of C60 and higher by 0.18(1) eV than the EA of phenyl-C61-butyric acid methyl ester (PCBM). In contrast, the relative E1/2(0/-) values of 2 and C60, -0.01(1) and 0.00(1) V, respectively, are virtually the same (on this scale, and under the same conditions, the E1/2(0/-) of PCBM is -0.09 V). Time-resolved microwave conductivity charge-carrier yield x mobility values for organic

  3. A faux hawk fullerene with PCBM-like properties

    SciTech Connect (OSTI)

    San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H.M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; Boltalina, Olga V.; Strauss, Steven H.

    2014-12-16

    Reaction of C60, C6F5CF2I, and SnH(n-Bu)3 produced, among other unidentified fullerene derivatives, the two new compounds 1,9-C60(CF2C6F5)H (1) and 1,9-C60(cyclo-CF2(2-C6F4)) (2). The highest isolated yield of 1 was 35% based on C60. Depending on the reaction conditions, the relative amounts of 1 and 2 generated in situ were as high as 85% and 71%, respectively, based on HPLC peak integration and summing over all fullerene species present other than unreacted C60. Compound 1 is thermally stable in 1,2-dichlorobenzene (oDCB) at 160 °C but was rapidly converted to 2 upon addition of Sn2(n-Bu)6 at this temperature. In contrast, complete conversion of 1 to 2 occurred within minutes, or hours, at 25 °C in 90/10 (v/v) PhCN/C6D6 by addition of stoichiometric, or sub-stoichiometric, amounts of proton sponge (PS) or cobaltocene (CoCp2). DFT calculations indicate that when 1 is deprotonated, the anion C60(CF2C6F5)- can undergo facile intramolecular SNAr annulation to form 2 with concomitant loss of F-. To our knowledge this is the first observation of a fullerene-cage carbanion acting as an SNAr nucleophile towards an aromatic C–F bond. The gas-phase electron affinity (EA) of 2 was determined to be 2.805(10) eV by low-temperature PES, higher by 0.12(1) eV than the EA of C60 and higher by 0.18(1) eV than the EA of phenyl-C61-butyric acid methyl ester (PCBM). In contrast, the relative E1/2(0/-) values of 2 and C60, -0.01(1) and 0.00(1) V, respectively, are virtually the same (on this scale, and under the same conditions, the E1/2(0/-) of PCBM is -0.09 V). Time-resolved microwave conductivity charge-carrier yield × mobility values for organic photovoltaic active-layer-type blends

  4. A faux hawk fullerene with PCBM-like properties

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

    San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H.M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; et al

    2014-12-16

    Reaction of C60, C6F5CF2I, and SnH(n-Bu)3 produced, among other unidentified fullerene derivatives, the two new compounds 1,9-C60(CF2C6F5)H (1) and 1,9-C60(cyclo-CF2(2-C6F4)) (2). The highest isolated yield of 1 was 35% based on C60. Depending on the reaction conditions, the relative amounts of 1 and 2 generated in situ were as high as 85% and 71%, respectively, based on HPLC peak integration and summing over all fullerene species present other than unreacted C60. Compound 1 is thermally stable in 1,2-dichlorobenzene (oDCB) at 160 °C but was rapidly converted to 2 upon addition of Sn2(n-Bu)6 at this temperature. In contrast, complete conversion ofmore » 1 to 2 occurred within minutes, or hours, at 25 °C in 90/10 (v/v) PhCN/C6D6 by addition of stoichiometric, or sub-stoichiometric, amounts of proton sponge (PS) or cobaltocene (CoCp2). DFT calculations indicate that when 1 is deprotonated, the anion C60(CF2C6F5)- can undergo facile intramolecular SNAr annulation to form 2 with concomitant loss of F-. To our knowledge this is the first observation of a fullerene-cage carbanion acting as an SNAr nucleophile towards an aromatic C–F bond. The gas-phase electron affinity (EA) of 2 was determined to be 2.805(10) eV by low-temperature PES, higher by 0.12(1) eV than the EA of C60 and higher by 0.18(1) eV than the EA of phenyl-C61-butyric acid methyl ester (PCBM). In contrast, the relative E1/2(0/-) values of 2 and C60, -0.01(1) and 0.00(1) V, respectively, are virtually the same (on this scale, and under the same conditions, the E1/2(0/-) of PCBM is -0.09 V). Time-resolved microwave conductivity charge-carrier yield × mobility values for organic photovoltaic active-layer-type blends of 2 and poly-3-hexylthiophene (P3HT) were comparable to those for equimolar blends of PCBM and P3HT. The structure of solvent-free crystals of 2 was determined by single-crystal X-ray diffraction. The number of nearest-neighbor fullerene–fullerene interactions with centroid

  5. A=18F (1983AJ01)

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

    83AJ01) (See Energy Level Diagrams for 18F) GENERAL: See also (1978AJ03) and Table 18.11 [Table of Energy Levels] (in PDF or PS). Shell model: (1977AN1P, 1977GR16, 1977SO1C, 1978CO08, 1978DA1N, 1978MA2H, 1979BU12, 1979DA15, 1980GO01, 1980KU05, 1980MA18, 1981EL1D, 1981ER03, 1981GR06, 1982KI02). Cluster, collective and deformed models: (1977BU22, 1978BU03, 1978PI1E, 1978SA15, 1978TA1A, 1979BU12, 1979SA31, 1980RO19, 1981CH24). Electromagnetic transitions: (1976MC1G, 1977BU22, 1977HA1Z, 1977HE1L,

  6. Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2

    SciTech Connect (OSTI)

    Liu, Tianbiao L.; Liao, Qian; O'Hagan, Molly J.; Hulley, Elliott; DuBois, Daniel L.; Bullock, R. Morris

    2015-06-22

    The synthesis and spectroscopic characterization of CpC5F4NFe(PtBu2NBn2)Cl, [3-Cl] (where C5F4N is the tetrafluorpyridyl substituent and PtBu2NBn2 = 1,5-di(tert-butyl)-3,7-di(benzyl)-1,5-diaza-3,7-diphosphacyclooctane) are reported. Complex 3-Cl and previously reported [CpC5F4NFe(PtBu2NtBu2)Cl], 4-Cl, are precursors to intermediates in the catalytic oxidation of H2, including CpC5F4NFe(PtBu2NBn2)H (3-H), CpC5F4NFe(PtBu2NtBu2)H (4-H), [CpC5F4NFe(PtBu2NBn2)]BArF4 ([3](BArF4), [CpC5F4NFe(PtBu2NtBu2)]BArF4 ([4](BArF4), [CpC5F4NFe(PtBu2NBn2)(H2)]BArF4 ([3-H2]BArF4), and [CpC5F4NFe(PtBu2NtBu2H)H]BArF4 ([4-FeH(NH)]BArF4). All of these complexes were characterized by spectroscopic and electrochemical studies; 3-Cl, 3-H and 4-Cl were also characterized by single crystal diffraction studies. 3-H and 4-H are electrocatalysts for H2 (1.0 atm) oxidation in the presence of a excess of the amine base N-methylpyrrolidine, with turnover frequencies at 22 °C of 2.5 s-1 and 0.5 s-1, and overpotentials at Ecat/2 of 235 mV and 95 mV, respectively. Studies of individual chemical and/or electrochemical reactions of the various intermediates provide important insights into the factors governing the overall catalytic activity for H2 oxidation, and provide important insights into the role of the pendant base of the [FeFe] hydrogenase active site. This work was supported by 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.

  7. CYANOGEN IN NGC 1851 RED GIANT BRANCH AND ASYMPTOTIC GIANT BRANCH STARS: QUADRIMODAL DISTRIBUTIONS

    SciTech Connect (OSTI)

    Campbell, S. W.; Stancliffe, R. J.; Lattanzio, J. C.; Angelou, G. C.; D'Orazi, V.; Yong, D.; Wylie-de Boer, E. C.; Martell, S. L.; Grundahl, F.; Sneden, C. E-mail: david.yong@anu.edu.au

    2012-12-10

    The Galactic globular cluster NGC 1851 has raised much interest since Hubble Space Telescope photometry revealed that it hosts a double subgiant branch. Here we report on our homogeneous study into the cyanogen (CN) band strengths in the red giant branch (RGB) population (17 stars) and asymptotic giant branch (AGB) population (21 stars) using AAOmega/2dF spectra with R {approx} 3000. We discover that NGC 1851 hosts a quadrimodal distribution of CN band strengths in its RGB and AGB populations. This result supports the merger formation scenario proposed for this cluster, such that the CN quadrimodality could be explained by the superposition of two 'normal' bimodal populations. A small sample overlap with an abundance catalog allowed us to tentatively explore the relationship between our CN populations and a range of elemental abundances. We found a striking correlation between CN and [O/Na]. We also found that the four CN peaks may be paired-the two CN-weaker populations being associated with low Ba and the two CN-stronger populations with high Ba. If true, then s-process abundances would be a good diagnostic for disentangling the two original clusters in the merger scenario. More observations are needed to confirm the quadrimodality and also the relationship between the subpopulations. We also report CN results for NGC 288 as a comparison. Our relatively large samples of AGB stars show that both clusters have a bias toward CN-weak AGB populations.

  8. DOE Hydrogen and Fuel Cells Program Record #13007: Industry Deployed Fuel

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

    Cell Backup Power (BuP) | Department of Energy Record #13007: Industry Deployed Fuel Cell Backup Power (BuP) DOE Hydrogen and Fuel Cells Program Record #13007: Industry Deployed Fuel Cell Backup Power (BuP) This record from the DOE Hydrogen and Fuel Cells Program describes the number of current and planned fuel cell deployments for backup power applications. 13007_industry_bup_deployments.pdf (307.65 KB) More Documents & Publications Early Stage Market Change and Effects of the Recovery

  9. Spectral Resolution for Five-Element, Filtered, X-Ray Detector (XRD) Arrays Using the Methods of Backus and Gilbert

    SciTech Connect (OSTI)

    FEHL,DAVID LEE; BIGGS,F.; CHANDLER,GORDON A.; STYGAR,WILLIAM A.

    2000-01-17

    The generalized method of Backus and Gilbert (BG) is described and applied to the inverse problem of obtaining spectra from a 5-channel, filtered array of x-ray detectors (XRD's). This diagnostic is routinely fielded on the Z facility at Sandia National Laboratories to study soft x-ray photons ({le}2300 eV), emitted by high density Z-pinch plasmas. The BG method defines spectral resolution limits on the system of response functions that are in good agreement with the unfold method currently in use. The resolution so defined is independent of the source spectrum. For noise-free, simulated data the BG approximating function is also in reasonable agreement with the source spectrum (150 eV black-body) and the unfold. This function may be used as an initial trial function for iterative methods or a regularization model.

  10. Center for Nanophase Materials Sciences (CNMS) - Publications

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

    M.; Decker, S. .R; Bu, L. T.; Zhao, X. C.; McCabe, C.; Wohlert, J.; Bergenstrahle, M.; Brady, J. W.; Adney, W. S.; Himmel, M. E.; Crowley, M. F., ":The O-Glycosylated Linker from...

  11. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Clayton, T. (4) Duan, L. (4) Hampton, E. (4) Harrison, Stephen C. (4) Haynes, Barton F. ... Moody, M. Anthony ; Haynes, Barton F. ; Harrison, Stephen C. ; BU-M) ; Duke-MED) ; et al ...

  12. MHK Projects/Makah Bay Offshore Wave Pilot Project | Open Energy...

    Open Energy Info (EERE)

    mooringanchoring and electrical connection system; (2) a 3.7-statute-mile-long, direct current (DC) submarine transmission cable connecting from one of the AquaBuOY's...

  13. Llr. Norgnn of the St. Louis office tolepbonod Dr. ;PuAuff mcently

    Office of Legacy Management (LM)

    Company of 122 East l&xi Btmot, f&w PO* 17, N. ,P., had also expressed an intereat ir.having their mbsidi.arg, the J. T. Baker Chemical Coqany, get into the field. BU aeked...

  14. Island Gas | Open Energy Information

    Open Energy Info (EERE)

    United Kingdom Zip: W1J 7BU Sector: Renewable Energy Product: UK-based coal bed methane company, Island Gas was the subject of a reverse takeover by KP Renewables in...

  15. West Central Soy | Open Energy Information

    Open Energy Info (EERE)

    Soy Jump to: navigation, search Name: West Central Soy Place: Iowa Product: Biodiesel producer based in Iowa, Owned bu a soy farmer coop References: West Central Soy1 This...

  16. Atmospheric formation and removal of C3-C5 peroxyacyl nitrates

    SciTech Connect (OSTI)

    Grosjean, D.

    1993-12-31

    The C3-C5 peroxyacyl nitrates RC(O)OONO{sub 2} (R=Et, n-Pr, i-Pr, n-Bu, i-Bu, sec-Bu, t-Bu, Ch{sub 2}=CH- and CH{sub 2}=C(CH{sub 3})-) have been synthesized and prepared in situ and have been characterized by electron capture gas chromatography. Their thermal decomposition rates have been measured and are similar to that of PAN (R = CH{sub 3}). Carbonyl products have been identified and the corresponding reaction mechanisms have been outlined. Ambient levels of several peroxyacyl nitrates (R =CH{sub 3}, Et, n-Pr and CH{sub 2}=(CH{sub 3})-) have been measured. The results are discussed with focus on atmospheric hydrocarbons as precursors to C3-C5 peroxyacyl nitrates in the atmosphere.

  17. Everest Refrigeration: Proposed Penalty (2015-SE-42001)

    Broader source: Energy.gov [DOE]

    DOE alleged in a Notice of Proposed Civil Penalty that Bu Sung America Corporation (dba Everest Refrigeration) manufactured and distributed noncompliant commercial refrigeration equipment model ESGR3 in the U.S.

  18. Everest Refrigeration: Noncompliance Determination (2015-SE-42001)

    Broader source: Energy.gov [DOE]

    DOE issued a Notice of Noncompliance Determination to Bu Sung America Corporation (dba Everest Refrigeration) finding that commercial refrigeration equipment model number ESGR3 does not comport with the energy conservation standards.

  19. NREL: Biomass Research - Mary Ann Franden

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

    ... Biotechnology for Biofuels (Manuscript in review). Franden, M.A.; Pienkos, P.T.; Zhang, M. ... Journal of Biotechnology (144); pp. 259-267. Knoshaug, E.; Franden, M.A.; Stambuk, B.U.; ...

  20. Class 1 Permit Modification Notification

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

    Waste Bureau New Mexico Environment Department 2905 Rodeo Park Drive East, Bu il ding 1 Santa Fe, New Mexico 87505-6303 JUL 0 5 2011 Subject: Notification of a Class 1 Permit...

  1. NREL: Biomass Research - Eric P. Knoshaug

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

    "Algal Biofuels: The Process." Chem. Engin. Prog. (107); pp. 37-47. Knoshaug, E.P.; Franden, M.A.; Stambuk, B.U.; Zhang, M.; Singh, A. (2009). "Utilization and Transport of ...

  2. Application to Export Electric Energy OE Docket No. EA-389 Great...

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

    Applicaiton from Great Bay Energy to export electric energy to Canada. Federal Register Notice. EA-389 Great Bay Energy (CN).pdf More Documents & Publications Application to Export...

  3. ARM - Publications: Science Team Meeting Documents

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

    Retrieving Cloud Height Using Infrared Thermometer Measurements Sengupta, M., and Long, C.N., Pacific Northwest National Laboratory Thirteenth Atmospheric Radiation Measurement...

  4. Application to Export Electric Energy OE Docket No. EA-249-C...

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

    EA-249-C Exelon Generation CN.pdf More Documents & Publications Application to Export Electric Energy OE Docket No. EA-249-C Exelon Generation Company, LLC: Federal Register...

  5. Microsoft Word - Talks 20120822

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

    Hydrodynamical and Transport Model for Ultra-relativistic Heavy Ion Reactions Dr. Yun Cheng Central China Normal University, China yuncheng@phy.ccnu.edu.cn Abstract: Combining the ...

  6. Coal-by-Rail: A Business-as-Usual Reference Case

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

    ... Annual Energy Outlook (yearly DOE-EIA publication) AER Annual Energy Review BNSF Burlington Northern Santa Fe Railroad CFR Code of Federal Regulations CN Canadian National Railroad ...

  7. NETL F 451.1/1-1, Categorical Exclusion Designation Form

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

    high-temperature synthesis followed by pressureless sintering for the fabrication of ceramic materials. Jason C. Hissam Digitally signed by Jason C. Hissam DN: cnJason C....

  8. ARM - Publications: Science Team Meeting Documents: Determination...

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

    of this indirect effect detection is provided by downwelling longwave flux measurements from the NSA pyrgeometers, which show consistently larger fluxes in the high CN...

  9. U

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

    ... AS - Australia; CN - Canada; CL - Colombia; ID - Indonesia; PL - Poland; RS - Russia; VZ - Venezuela; OT - Other. | || |INSTRUCTIONS continued|For Column 'f' Coal Mine County Code, ...

  10. U

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

    ... AS - Australia; CN - Canada; CL - Colombia; ID - Indonesia; PL - Poland; RS - Russia; VZ - Venezuela; OT - Other. 4 U.S. Department of Energy Energy Information Administration Form ...

  11. Quality Assurance of ARM Program Climate Research Facility Data...

    Office of Scientific and Technical Information (OSTI)

    ; Eagan, RC ; Lijegren, JC ; Orr, BW ; Sisterson, DL ; Halter, TD ; Keck, NN ; Long, CN ; Macduff, MC ; Mather, JH ; Perez, RC ; Voyles, JW more ; Ivey, MD ; ...

  12. Comment permalink | OSTI, US Dept of Energy Office of Scientific...

    Office of Scientific and Technical Information (OSTI)

    Email: tom.malec@cn.doe.gov Assistant Secretary for Energy Efficiency and Renewable Energy (EE) Patrice Pisinski, EE-12, Director, Office of Communications and Outreach ...

  13. Inspection Report: IG-0762 | Department of Energy

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

    Inspection Report: IG-0762 March 28, 2007 Internal Controls Over Computer Property at the ... In support of this mission, CN procures and maintains computer processing equipment such ...

  14. Thesis

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

    Stars create the light we observe from energy liberated by nuclear fusion reactions. ... At temperatures present in stars slightly larger than the Sun, the CN cycle dominates ...

  15. Quality Assurance of ARM Program Climate Research Facility Data...

    Office of Scientific and Technical Information (OSTI)

    NN ; Long, CN ; Macduff, MC ; Mather, JH ; Perez, RC ; Voyles, JW more ; Ivey, MD ; Moore, ST ; Nitschke, DL ; Perkins, BD ; Turner, DD less + Show Author Affiliations BNL ...

  16. Research Highlight

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

    Submitter: Long, C. N., NOAA Global Monitoring DivisionCIRES Dupont, J., Laboratoire de ... Working Group(s): Radiative Processes Journal Reference: Dupont JC, M Haeffelin, and CN ...

  17. 2015 | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    ... nitrogen cycles (CLM-CN), the carbon and water coupling in leaf-level photosynthetic ... computational simulations of ecosystem water processes. 03.01.15Science Highlight New ...

  18. DOE-HDBK-1131-2007 | Department of Energy

    Energy Savers [EERE]

    January 15, 2008 General Employee Radiological Training Replaced by DOE-HDBK-1131-2007 (CN1) (Reaffirmed 2013) This handbook describes the DOE General Employee Radiological ...

  19. Application to Export Electric Energy OE Docket No. EA-327-A...

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

    to export electric energy to Canada. Federal Register Notice. EA-327A DC Energy CN.pdf More Documents & Publications Application to Export Electric Energy OE Docket No....

  20. DOE/RL-2002-63, Rev. 0

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

    ... CFR Code of Federal Regulations Cn cyanide LDR land disposal restriction NA not applicable UHC underlying hazardous constituent UTS universal treatment standard DOE...

  1. SANDIA CORPORATION

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

    feedback, and improves communication. Any contract awarded by Sandia is a candidate for evaluation under this program. CN21 - PRICING OF CONTRACT AND SUBCONTRACT MODIFICATIONS...

  2. SANDIA CORPORATION

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

    feedback, and improves communication. Any contract awarded by Sandia is a candidate for evaluation under this program. CN22 - PRICING OF CONTRACT AND SUBCONTRACT MODIFICATIONS...

  3. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ; Hu, Han-Shi ; Li, Jun, E-mail: junli@tsinghua.edu.cn ; William R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, ...

  4. EA-260-E CP Energy Marketing (US) Inc. | Department of Energy

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

    Order authorizing CP Energy Marketing to export electric energy to Canada. EA-260-E CP Energy Marketing (CN).pdf More Documents & Publications Application to Export Electric Energy...

  5. Solar Power Ramp Events Detection Using an Optimized Swinging...

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

    ... Boston, Massachusetts, USA DETC2015-46849 SOLAR POWER RAMP EVENTS DETECTION USING AN ... yzsun@mail.tsinghua.edu.cn ABSTRACT Solar power ramp events (SPREs) significantly ...

  6. The selective catalytic reduction of NOx over Ag/Al2O3 with isobutanol as the reductant

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

    Brookshear, Daniel William; Pihl, Josh A.; Toops, Todd J.; West, Brian H.; Prikhodko, Vitaly Y.

    2016-02-13

    Here, this study investigates the potential of isobutanol (iBuOH) as a reductant for the selective catalytic reduction (SCR) of NOx over 2 wt% Ag/Al2O3 between 150 and 550 °C and gas hourly space velocities (GHSV) between 10,000 and 35,000 h-1. The feed gas consists of 500 ppm NO, 5% H2O, 10% O2, and 375-1500 ppm iBuOH (C1:N ratios of 3-12); additionally, blends of 24 and 48% iBuOH in gasoline are evaluated. Over 90% NOx conversion is achieved between 300 and 400 C using pure iBuOH, including a 40% peak selectivity towards NH3 that could be utilized in a dual HC/NH3more » SCR configuration. The iBuOH/gasoline blends are only able to achieve greater than 90% NOx conversion when operated at a GHSV of 10,000 h-1 and employing a C1:N ratio of 12. Iso-butyraldehyde and NO2 appear to function as intermediates in the iBuOH-SCR mechanism, which mirrors the mechanism observed for EtOH-SCR. In general, the performance of iBuOH in the SCR of NOx over a Ag/Al2O3 catalyst is comparable with that of EtOH, although EtOH/gasoline blends display higher NOx reduction than iBuOH/gasoline blends. The key parameter in employing alcohols in SCR appears to be the C-OH:N ratio rather than the C1:N ratio.« less

  7. bgclang Compiler | Argonne Leadership Computing Facility

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

    Projects bgclang Compiler Cobalt Scheduler GLEAN Petrel Swift bgclang Compiler bgclang, a compiler toolchain based on the LLVM/Clang compiler infrastructure, but customized for the IBM Blue Gene/Q (BG/Q) supercomputer, is a successful experiment in creating an alternative, high-quality compiler toolchain for non-commodity HPC hardware. By enhancing LLVM (http://llvm.org/) with support for the BG/Q's QPX vector instruction set, bgclang inherits from LLVM/Clang a high-quality auto-vectorizing

  8. gprof Profiling Tools | Argonne Leadership Computing Facility

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

    governance Supplemental Directives NA-1 SD 226.1-1A Headquarters Biennial Review of Nuclear Safety Performance December 16, 2011 NNSA SD 226.1B NNSA Site Governance August 12, 2016 NNSA SD 243.1 Admin Change 1 Records Management Program March 21, 2016 NA SD 251.1 NNSA Policies, Supplemental Directives, and Business Operating

    Tuning MPI on BG/Q Tuning and Analysis Utilities (TAU) HPCToolkit HPCTW mpiP gprof Profiling Tools Darshan PAPI BG/Q Performance Counters BGPM Openspeedshop Scalasca

  9. Homoleptic Ce(III) and Ce(IV) Nitroxide Complexes: Significant Stabilization of the 4+ Oxidation State

    SciTech Connect (OSTI)

    Bogart, Justin A.; Lewis, Andrew J.; Medling, Scott A.; Piro, Nicholas A.; Carroll, Patrick J.; Booth, Corwin H.; Schelter, Eric J.

    2014-06-25

    Electrochemical experiments performed on the complex Ce-IV[2-((BuNO)-Bu-t)py](4), where [2-((BuNO)-Bu-t)py](-) = N-tert-butyl-N-2-pyridylnitroxide, indicate a 2.51 V stabilization of the 4+ oxidation state of Ce compared to [(Bu4N)-Bu-n](2)[Ce(NO3)(6)] in acetonitrile and a 2.95 V stabilization compared to the standard potential for the ion under aqueous conditions. Density functional theory calculations suggest that this preference for the higher oxidation state is a result of the tetrakis(nitroxide) ligand framework at the Ce cation, which allows for effective electron donation into, and partial covalent overlap with, vacant 4f orbitals with delta symmetry. The results speak to the behavior of CeO2 and related solid solutions in oxygen uptake and transport applications, in particular an inherent local character of bonding that stabilizes the 4+ oxidation state. The results indicate a cerium(IV) complex that has been stabilized to an unprecedented degree through tuning of its ligand-field environment.

  10. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Filter by Author Chen, Xianfeng (1) Gao, C. L., E-mail: clgao@sjtu.edu.cn (1) Jia, Jin-Feng (1) Liu, Canhua (1) Luo, Weidong, E-mail: wdluo@sjtu.edu.cn (1) Qian, Dong (1) Song, Y. ...

  11. Early-lanthanide(III) acetonitrile–solvento adducts with iodide and noncoordinating anions

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

    Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.

    2015-12-25

    Dissolution of LnI3 (Ln = La, Ce) in acetonitrile (MeCN) results in the highly soluble solvates LnI3(MeCN)5 [Ln = La (1), Ce (2)] in good yield. The ionic complex [La(MeCN)9][LaI6] (4), containing a rare homoleptic La3+ cation and anion, was also isolated as a minor product. Extending this chemistry to NdI3 results in the consistent formation of the complex ionic structure [Nd(MeCN)9]2[NdI5(MeCN)][NdI6][I] (3), which contains an unprecedented pentaiodide lanthanoid anion. Also described is the synthesis, isolation, and structural characterization of several homoleptic early-lanthanide MeCN solvates with noncoordinating anions, namely, [Ln(MeCN)9][AlCl4]3 [Ln = La (5), Ce (6), Nd (7)]. Notably, complexmore » 6 is the first homoleptic cerium MeCN solvate reported to date. All reported complexes were structurally characterized by X-ray crystallography, as well as by IR spectroscopy and CHN elemental analysis. Furthermore, complexes 1–3 were also characterized by thermogravimetric analysis coupled with mass spectrometry to further elucidate their bulk composition in the solid-state.« less

  12. Early-lanthanide(III) acetonitrile–solvento adducts with iodide and noncoordinating anions

    SciTech Connect (OSTI)

    Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.

    2015-12-25

    Dissolution of LnI3 (Ln = La, Ce) in acetonitrile (MeCN) results in the highly soluble solvates LnI3(MeCN)5 [Ln = La (1), Ce (2)] in good yield. The ionic complex [La(MeCN)9][LaI6] (4), containing a rare homoleptic La3+ cation and anion, was also isolated as a minor product. Extending this chemistry to NdI3 results in the consistent formation of the complex ionic structure [Nd(MeCN)9]2[NdI5(MeCN)][NdI6][I] (3), which contains an unprecedented pentaiodide lanthanoid anion. Also described is the synthesis, isolation, and structural characterization of several homoleptic early-lanthanide MeCN solvates with noncoordinating anions, namely, [Ln(MeCN)9][AlCl4]3 [Ln = La (5), Ce (6), Nd (7)]. Notably, complex 6 is the first homoleptic cerium MeCN solvate reported to date. All reported complexes were structurally characterized by X-ray crystallography, as well as by IR spectroscopy and CHN elemental analysis. Furthermore, complexes 1–3 were also characterized by thermogravimetric analysis coupled with mass spectrometry to further elucidate their bulk composition in the solid-state.

  13. Construction of the Barut–Girardello quasi coherent states for the Morse potential

    SciTech Connect (OSTI)

    Popov, Dušan; Dong, Shi-Hai; Pop, Nicolina; Sajfert, Vjekoslav; Şimon, Simona

    2013-12-15

    The Morse oscillator (MO) potential occupies a privileged place among the anharmonic oscillator potentials due to its applications in quantum mechanics to diatomic or polyatomic molecules, spectroscopy and so on. For this potential some kinds of coherent states (especially of the Klauder–Perelomov and Gazeau–Klauder kinds) have been constructed previously. In this paper we construct the coherent states of the Barut–Girardello kind (BG-CSs) for the MO potential, which have received less attention in the scientific literature. We obtain these CSs and demonstrate that they fulfil all conditions required by the coherent state. The Mandel parameter for the pure BG-CSs and Husimi’s and P-quasi distribution functions (for the mixed-thermal states) are also presented. Finally, we show that all obtained results for the BG-CSs of MO tend, in the harmonic limit, to the corresponding results for the coherent states of the one dimensional harmonic oscillator (CSs for the HO-1D). -- Highlights: •Construct the coherent states of the Barut–Girardello kind (BG-CSs) for the MO potential. •They fulfil all the conditions needed to a coherent state. •Present the Mandel parameter and Husimi’s and P-quasi distribution functions. •All results tend to those for the one dimensional harmonic oscillator in its harmonic limit.

  14. Comparative mapping in the beige-satin region of mouse chromosome 13

    SciTech Connect (OSTI)

    Perou, C.M.; Pryor, R.; Kaplan, J.

    1997-01-15

    The proximal end of mouse chromosome (Chr) 13 contains regions conserved on human chromosomes 1q42-q44, 6p23-p21, and 7p22-p13. This region also contains mutations that may be models for human disease, including beige (human Chediak-Higashi syndrome). An interspecific backcross of SB/Le and Mus spretus mice was used to generate a molecular genetic linkage map of mouse chromosome 13 with an emphasis on the proximal region including beige (bg) and satin (sa). This map provides the gene order of the two phenotypic markers bg and sa relative to restriction fragment length polymorphisms and simple sequence length polymorphisms in 131 backcross animals. In parallel, we have created a physical map of the region using Nidogen (Nid) as a molecular starting point for cloning a YAC contig that was used to identify the beige gene. The physical map provides the fine-structure order of genes and anonymous DNA fragments that was not resolved by the genetic linkage mapping. The results show that the bg region of mouse Chr 13 is highly conserved on human Chr 1q42-q44 and provide a starting point for a complete functional analysis of the entire bg-sa interval. 37 refs., 4 figs., 1 tab.

  15. Tc with AsqTad and p4rhmc

    SciTech Connect (OSTI)

    Soltz, R; Vranas, P; Gupta, R

    2007-06-20

    We present the ongoing analysis of Lattice Quantum Chromodynamics runs on the LLNL BG/L supercomputer. This installment includes the analysis of 12,000 trajectories from the MILC AsqTad code on a 32{sup 3} x 8 lattice and the time histories from the plaquette and {psi} - bar{psi} trajectories from the p4rhmc code.

  16. 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 ...

  17. Green synthesis of boron doped graphene and its application as high performance anode material in Li ion battery

    SciTech Connect (OSTI)

    Sahoo, Madhumita; Sreena, K.P.; Vinayan, B.P.; Ramaprabhu, S.

    2015-01-15

    Graphical abstract: Boron doped graphene (B-G), synthesized by simple hydrogen induced reduction technique using boric acid as boron precursor, have more uneven surface as a result of smaller bonding distance of boron compared to carbon, showed high capacity and high rate capability compared to pristine graphene as an anode material for Li ion battery application. - Abstract: The present work demonstrates a facile route for the large-scale, catalyst free, and green synthesis approach of boron doped graphene (B-G) and its use as high performance anode material for Li ion battery (LIB) application. Boron atoms were doped into graphene framework with an atomic percentage of 5.93% via hydrogen induced thermal reduction technique using graphite oxide and boric acid as precursors. Various characterization techniques were used to confirm the boron doping in graphene sheets. B-G as anode material shows a discharge capacity of 548 mAh g{sup ?1} at 100 mA g{sup ?1} after 30th cycles. At high current density value of 1 A g{sup ?1}, B-G as anode material enhances the specific capacity by about 1.7 times compared to pristine graphene. The present study shows a simplistic way of boron doping in graphene leading to an enhanced Li ion adsorption due to the change in electronic states.

  18. Molecular and Electronic Structure of Cyclic Trinuclear Gold(I) Carbeniate Complexes: Insights for Structure/Luminescence/Conductivity Relationships

    SciTech Connect (OSTI)

    McDougaldJr, Roy N; Chilukuri, Bhaskar; Jia, Huiping; Perez, Michael R; Rabaa, Hassan; Wang, Xiaoping; Nesterov, Vladimir; Cundari, Thomas R.; Gnade, Bruce E; Omary, Mohammad A

    2014-01-01

    An experimental and computational study of correlations between solid-state structure and optical/electronic properties of cyclotrimeric gold(I) carbeniates, [Au-3(RN=COR')(3)] (R, R' = H, Me, Bu-n, or (c)Pe), is reported. Synthesis and structural and photophysical characterization of novel complexes [Au-3(MeN=(COBu)-Bu-n)(3)], [Au-3((BuN)-Bu-n=COMe)(3)], [Au-3((BuN)-Bu-n=(COBu)-Bu-n)(3)], and [Au-3((c)PeN=COMe)(3)] are presented. Changes in R and R' lead to distinctive variations in solid-state stacking, luminescence spectra, and conductive properties. Solid-state emission and excitation spectra for each complex display a remarkable dependence on the solid-state packing of the cyclotrimers. The electronic structure of [Au-3(RN=COR')(3)] was investigated via molecular and solid-state simulations. Calculations on [Au-3(HN=COH)(3)] models indicate that the infinitely extended chain of eclipsed structures with equidistant Au-Au intertrimer aurophilic bonding can have lower band gaps, smaller Stokes shifts, and reduced reorganization energies (lambda). The action of one cyclotrimer as a molecular nanowire is demonstrated via fabrication of an organic field effect transistor and shown to produce a p-type field effect. Hole transport for the same cyclotrimer-doped within a poly(9-vinylcarbazole) host-produced a colossal increase in current density from similar to 1 to similar to 1000 mA/cm(2). Computations and experiments thus delineate the complex relationships between solid-state morphologies, electronic structures, and optoelectronic properties of gold(I) carbeniates.

  19. New porous titanium–niobium oxide for photocatalytic degradation of bromocresol green dye in aqueous solution

    SciTech Connect (OSTI)

    Chaleshtori, Maryam Zarei; Hosseini, Mahsa; Edalatpour, Roya; Masud, S.M. Sarif; Chianelli, Russell R.

    2013-10-15

    Graphical abstract: The photocatalytic activity of different porous titanium–niobium oxides was evaluated toward degradation of bromocresol green (BG) under UV light. A better catalytic activity was observed for all samples at lower pH. Catalysts have a stronger ability for degradation of BG in acid media than in alkaline media. - Highlights: • Different highly structured titanium–niobium oxides have been prepared using improved methods of synthesis. • Photo-degradation of bromocresol green dye (BG) with nanostructure titanium–niobium oxide catalysts was carried out under UV light. • The photo-catalytic activity of all catalysts was higher in lower pH. • Titanium–niobium oxide catalysts are considerably stable and reusable. - Abstract: In this study, high surface area semiconductors, non porous and porous titanium–niobium oxides derived from KTiNbO{sub 5} were synthesized, characterized and developed for their utility as photocatalysts for decontamination with sunlight. These materials were then used in the photocatalytic degradation of bromocresol green dye (BG) in aqueous solution using UV light and their catalytic activities were evaluated at various pHs. For all catalysts, the photocatalytic degradation of BG was most efficient in acidic solutions. Results show that the new porous oxides have large porous and high surface areas and high catalytic activity. A topotactic dehydration treatment greatly improves catalyst performance at various pHs. Stability and long term activity of porous materials (topo and non-topo) in photocatalysis reactions was also tested. These results suggest that the new materials can be used to efficiently purify contaminated water.

  20. Recovery Efficiency, False Negative Rate, and Limit of Detection Performance of a Validated Macrofoam-Swab Sampling Method with Low Surface Concentrations of Two Bacillus anthracis Surrogates

    SciTech Connect (OSTI)

    Piepel, Gregory F.; Hutchison, Janine R.; Deatherage Kaiser, Brooke L; Amidan, Brett G.; Sydor, Michael A.; Barrett, Christopher A.

    2015-03-31

    The performance of a macrofoam-swab sampling method was evaluated using Bacillus anthracis Sterne (BAS) and Bacillus atrophaeus Nakamura (BG) spores applied at nine low target amounts (2-500 spores) to positive-control plates and test coupons (2 in. × 2 in.) of four surface materials (glass, stainless steel, vinyl tile, and plastic). Test results from cultured samples were used to evaluate the effects of surrogate, surface concentration, and surface material on recovery efficiency (RE), false negative rate (FNR), and limit of detection. For RE, surrogate and surface material had statistically significant effects, but concentration did not. Mean REs were the lowest for vinyl tile (50.8% with BAS, 40.2% with BG) and the highest for glass (92.8% with BAS, 71.4% with BG). FNR values ranged from 0 to 0.833 for BAS and 0 to 0.806 for BG, with values increasing as concentration decreased in the range tested (0.078 to 19.375 CFU/cm2, where CFU denotes ‘colony forming units’). Surface material also had a statistically significant effect. A FNR-concentration curve was fit for each combination of surrogate and surface material. For both surrogates, the FNR curves tended to be the lowest for glass and highest for vinyl title. The FNR curves for BG tended to be higher than for BAS at lower concentrations, especially for glass. Results using a modified Rapid Viability-Polymerase Chain Reaction (mRV-PCR) analysis method were also obtained. The mRV-PCR results and comparisons to the culture results will be discussed in a subsequent report.

  1. Transition metal complexes of oxazolinylboranes and cyclopentadienyl-bis(oxazolinyl)borates: Catalysts for asymmetric olefin hydroamination and acceptorless alcohol decarbonylation

    SciTech Connect (OSTI)

    Manna, Kuntal [Ames Laboratory

    2012-12-17

    . The cyclization of aminodienes catalyzed by {S-2}Zr(NMe{sub 2}){sub 2} affords diastereomeric mixture of cis and trans cylic amines with high diasteromeric ratios and excellent enantiomeric excesses. Similarly, the desymmetrization of alkyne moieties in {S-2}Zr(NMe{sub 2}){sub 2}-catalyzed cyclization of aminodiynes provides corresponding cyclic imines bearing quaternary stereocenters with enantiomeric excesses up to 93%. These stereoselective desymmetrization reactions are significantly affected by concentration of the substrate, temperature, and the presence of a noncyclizable primary amine. In addition, both the diastereomeric ratios and enantiomeric excesses of the products are markedly enhanced by N-deuteration of the substrates. Notably, the cationic zirconium-monoamide complex [{S-2}Zr(NMe{sub 2})][B(C{sub 6}F{sub 5}){sub 4}] obtained from neutral {S-2}Zr(NMe{sub 2}){sub 2} cyclizes primary aminopentenes providing pyrrolidines with S-configuration; whereas {S-2}Zr(NMe{sub 2}){sub 2} provides R-configured pyrrolidines. The yttrium complex {S-2}YCH{sub 2}SiMe{sub 3} also affords S-configured pyrrolidines by cyclization of aminopentenes, however the enantiomeric excesses of products are low. An alternative optically active yttrium complex {PhB(C{sub 5}H{sub 4})(Ox{sup 4S-tBu}){sub 2}}YCH{sub 2}SiMe{sub 3} ({S-3}YCH{sub 2}SiMe{sub 3}) is synthesized, which displays highly enantioselective in the cyclization of aminoalkenes at room temperature affording S-configured cyclic amines with enantiomeric excesses up to 96%. A noninsertive mechanism involving a six-membered transition state by a concerted C?N bond formation and N?H bond cleavage is proposed for {S-3}YCH{sub 2}SiMe{sub 3} system based on the kinetic, spectroscopic, and stereochemical features. In the end, a series of bis- and tris(oxazolinyl)borato iridium and rhodium complexes are synthesized with bis(oxazolinyl)phenylborane [PhB(Ox{sup Me2}){sub 2}]{sub n}, tris(oxazolinyl)borane [B(Ox{sup Me2}){sub 3}]n

  2. Uranium (VI)Bis(imido) chalcogenate complexes:synthesis and density functional theory analysis

    SciTech Connect (OSTI)

    Spencer, Liam P; Batista, Enrique R; Boncella, James M; Yang, Ping; Scott, Brian L

    2009-01-01

    Bis(imido) uranium(VI) trans- and cis-dichalcogenate complexes with the general formula U(NtBu)2(EAr)2(OPPh3)2 (EAr = O-2-tBuC6H4, SPh, SePh, TePh) and U(NtBu)2(EAr)2(R2bpy) (EAr = SPh, SePh, TePh) (R2bpy = 4,4'-disubstituted-2,2'-bipyridyl, R = Me, tBu) have been prepared. This family of complexes includes the first reported monodentate selenolate and tellurolate complexes of uranium(VI). Density functional theory calculations show that covalent interactions in the U-E bond increase in the trans-dichalcogenate series U(NtBu)2(EAr)2(OPPh3)2 as the size of the chalcogenate donor increases and that both 5f and 6d orbital participation is important in the M-E bonds of U-S, U-Se, and U-Te complexes.

  3. Tris(Cyclopentadienyl)Uranium-t-Butyl: Synthesis, reactions, and mechanisms

    SciTech Connect (OSTI)

    Weydert, M.

    1993-04-01

    Compounds (RC{sub 5}H{sub 4}){sub 3}U(t-Bu) were prepared for R = H, Me, Et. Their decomposition products in aromatic solvents are consistent with a radical decomposition pathway induced by solvent-assisted U-C bond homolysis. NMR was used to study the reactions of (RC{sub 5}H{sub 4}){sub 3}UCl with t-BuLi (R = t-Bu, Me{sub 3}Si). Reactions of (MeC{sub 5}H{sub 4}){sub 3}U(t-Bu) with Lewis bases and fluorocarbons were studied. Analogous reaction chemistry between (RC{sub 5}H{sub 4}){sub 3}ThX systems and t-BuLi was also studied, and reactivity differences between U and Th are discussed. Synthesis of sterically crowded (RC{sub 5}H{sub 4}){sub 4}U compounds is next considered. Reaction of the trivalent (RC{sub 5}H{sub 4}){sub 3}U with (RC{sub 5}H{sub 4}){sub 2}Hg results in formation of (RC{sub 5}H{sub 4}){sub 4}U. Steric congestion, cyclopentadienyl ligand exchange, and electron transfer are discussed. (DLC)

  4. Tris(Cyclopentadienyl)Uranium-t-Butyl: Synthesis, reactions, and mechanisms

    SciTech Connect (OSTI)

    Weydert, M.

    1993-04-01

    Compounds (RC[sub 5]H[sub 4])[sub 3]U(t-Bu) were prepared for R = H, Me, Et. Their decomposition products in aromatic solvents are consistent with a radical decomposition pathway induced by solvent-assisted U-C bond homolysis. NMR was used to study the reactions of (RC[sub 5]H[sub 4])[sub 3]UCl with t-BuLi (R = t-Bu, Me[sub 3]Si). Reactions of (MeC[sub 5]H[sub 4])[sub 3]U(t-Bu) with Lewis bases and fluorocarbons were studied. Analogous reaction chemistry between (RC[sub 5]H[sub 4])[sub 3]ThX systems and t-BuLi was also studied, and reactivity differences between U and Th are discussed. Synthesis of sterically crowded (RC[sub 5]H[sub 4])[sub 4]U compounds is next considered. Reaction of the trivalent (RC[sub 5]H[sub 4])[sub 3]U with (RC[sub 5]H[sub 4])[sub 2]Hg results in formation of (RC[sub 5]H[sub 4])[sub 4]U. Steric congestion, cyclopentadienyl ligand exchange, and electron transfer are discussed. (DLC)

  5. Spectroelectrochemical Sensor for Pertechnetate Applicable to Hanford and Other DOE Sites

    SciTech Connect (OSTI)

    Heineman, William R; Seliskar, Carl J; Bryan, Samuel A

    2012-09-18

    lower oxidation state Tc complex within the film for spectroelectrochemical detection. Spectroelectrochemical sensors were developed and demonstrated, first using [Re(dmpe)3]+ (dmpe = 1,2-bis(dimethylphosphino)ethane) as a model compound with the non-radioactive Re surrogate for radioactive Tc. A fluorescence based spectroelectrochemical sensor for [Tc(dmpe)3]+/2+was then developed using SSEBS as the preconcentrating film. Portable instrumentation for the fluorescence spectroelectrochemical sensor was fabricated and tested. The effects of components in Hanford subsurface water on sensor performance with a detailed evaluation of the effect of total ionic strength on sensitivity demonstrated the ability to use the spectroelectrochemical sensor on representative water samples. A variety Re and Tc complexes were synthesized and characterized to explore the best ligands to use for detection of Tc. A lower oxidation-state Tc-complex [Tc(dmpe)3]+ (dmpe = 1,2-bis(dimethylphosphino)ethane) was synthesized to use as a model compound for developing Tc sensors. [Tc(dmpe)3]+/2+ exhibited the important properties of solution fluorescence at ambient temperatures and reversible electrochemistry. A range of low oxidation state dioxo Re- and Tc-complexes of formulae [ReO2(py)4]+, [ReO2(CN)4]-, [ReO2(P-P)2]+ and [ReO2(S-S)2]+ (py = pyridine) were synthesized. An exhaustive study of the spectroscopy and electrochemistry of Re(diimine)(CO)3(halide) complexes was performed. These complexes served as models for the Tc(diimine)(CO)3(halide) complexes that were readily formed from Tc(CO)x(halides)6-x complexes which are themselves constituents of tank waste samples from Hanford. Of particular interest were new Tc complexes with the +5 and +6 oxidation states. Tetrabutylammonium salt of tetrachlorooxotechnetate(V), (nBu4N)[TcOCl4] (I) was synthesized and the structure determined. [TcO2(CN)4]3- , [TcO2(en)2]2+ , [TcO2(im)4]+, and [TcO2(py)4]+ (en = ethylenediamine; im = imidazole; py = pyridine

  6. Nuclear Data Sheets for A = 50

    SciTech Connect (OSTI)

    Elekes, Zoltan; Timar, Janos; Singh, Balraj

    2011-01-15

    The experimental nuclear spectroscopic data for known nuclides of mass number 50 (Cl,Ar,K,Ca,Sc,Ti,V, Cr,Mn,Fe,Co,Ni) have been evaluated and presented together with Adopted properties for levels and {gamma} rays. This evaluation has been carried out about 15 years after the previous one by Thomas Burrows (1995Bu29). Except for {sup 50}Sc and {sup 50}V, extensive new data have become available for all the other nuclides in the intervening years. The data for {sup 50}Sc and {sup 50}V have also been checked again in detail and several changes made. No data are yet available for excited states in {sup 50}Cl, {sup 50}Ar and {sup 50}Ni. This work supersedes earlier evaluations (1995Bu29, 1990Bu18, 1984Al29, 1976Au07) of A=50 nuclides.

  7. Synthesis of alpha-amino acids

    DOE Patents [OSTI]

    Davis, Jr., Jefferson W.

    1983-01-01

    A method for synthesizing alpha amino acids proceding through novel intermediates of the formulas: R.sub.1 R.sub.2 C(OSOCl)CN, R.sub.1 R.sub.2 C(Cl)CN and [R.sub.1 R.sub.2 C(CN)O].sub.2 SO wherein R.sub.1 and R.sub.2 are each selected from hydrogen monovalent substituted and unsubstituted hydrocarbon radicals of 1 to 10 carbon atoms. The use of these intermediates allows the synthesis steps to be exothermic and results in an overall synthesis method which is faster than the snythesis methods of the prior art.

  8. Synthesis of alpha-amino acids

    DOE Patents [OSTI]

    Davis, Jr., Jefferson W.

    1983-01-01

    A method for synthesizing alpha amino acids proceeding through novel intermediates of the formulas: R.sub.1 R.sub.2 C(OSOCl)CN, R.sub.1 R.sub.2 C(Cl)CN and [R.sub.1 R.sub.2 C(CN)O].sub.2 SO wherein R.sub.1 and R.sub.2 are each selected from hydrogen monovalent substituted and unsubstituted hydrocarbon radicals of 1 to 12 carbon atoms. The use of these intermediates allows the synthesis steps to be exothermic and results in an overall synthesis method which is faster than the synthesis methods of the prior art.

  9. Synthesis of alpha-amino acids

    DOE Patents [OSTI]

    Davis, Jr., Jefferson W.

    1983-01-01

    A method for synthesizing alpha amino acids proceding through novel intermediates of the formulas: R.sub.1 R.sub.2 C(OSOCl)CN, R.sub.1 R.sub.2 C(Cl)CN and [R.sub.1 R.sub.2 C(CN)O].sub.2 SO wherein R.sub.1 and R.sub.2 are each selected from hydrogen monovalent substituted and unsubstituted hydrocarbon radicals of 1 to 12 carbon atoms. The use of these intermediates allows the synthesis steps to be exothermic and results in an overall synthesis method which is faster than the synthesis methods of the prior art.

  10. Synthesis of amino acids

    DOE Patents [OSTI]

    Davis, J.W. Jr.

    1979-09-21

    A method is described for synthesizing amino acids preceding through novel intermediates of the formulas: R/sub 1/R/sub 2/C(OSOC1)CN, R/sub 1/R/sub 2/C(C1)CN and (R/sub 1/R/sub 2/C(CN)O)/sub 2/SO wherein R/sub 1/ and R/sub 2/ are each selected from hydrogen and monovalent hydrocarbon radicals of 1 to 10 carbon atoms. The use of these intermediates allows the synthesis steps to be exothermic and results in an overall synthesis method which is faster than the synthesis methods of the prior art.

  11. False Negative Rates of a Macrofoam-Swab Sampling Method with Low Surface Concentrations of Two Bacillus anthracis Surrogates via Real-Time PCR

    SciTech Connect (OSTI)

    Hutchison, Janine R.; Piepel, Gregory F.; Amidan, Brett G.; Sydor, Michael A.; Deatherage Kaiser, Brooke L

    2015-05-01

    Surface sampling for Bacillus anthracis spores has traditionally relied on detection via bacterial cultivation methods. Although effective, this approach does not provide the level of organism specificity that can be gained through molecular techniques. False negative rates (FNR) and limits of detection (LOD) were determined for two B. anthracis surrogates with modified rapid viability-polymerase chain reaction (mRV-PCR) following macrofoam-swab sampling. This study was conducted in parallel with a previously reported study that analyzed spores using a plate-culture method. B. anthracis Sterne (BAS) or B. atrophaeus Nakamura (BG) spores were deposited onto four surface materials (glass, stainless steel, vinyl tile, and plastic) at nine target concentrations (2 to 500 spores/coupon; 0.078 to 19.375 colony-forming units [CFU] per cm²). Mean FNR values for mRV-PCR analysis ranged from 0 to 0.917 for BAS and 0 to 0.875 for BG and increased as spore concentration decreased (over the concentrations investigated) for each surface material. FNRs based on mRV-PCR data were not statistically different for BAS and BG, but were significantly lower for glass than for vinyl tile. FNRs also tended to be lower for the mRV-PCR method compared to the culture method. The mRV-PCR LOD₉₅ was lowest for glass (0.429 CFU/cm² with BAS and 0.341 CFU/cm² with BG) and highest for vinyl tile (0.919 CFU/cm² with BAS and 0.917 CFU/cm² with BG). These mRV-PCR LOD₉₅ values were lower than the culture values (BAS: 0.678 to 1.023 CFU/cm² and BG: 0.820 to 1.489 CFU/cm²). The FNR and LOD₉₅ values reported in this work provide guidance for environmental sampling of Bacillus spores at low concentrations.

  12. The interactions of azure B, a metabolite of methylene blue, with acetylcholinesterase and butyrylcholinesterase

    SciTech Connect (OSTI)

    Petzer, Anél; Harvey, Brian H.; Petzer, Jacobus P.

    2014-02-01

    Methylene blue (MB) is reported to possess diverse pharmacological actions and is attracting increasing attention for the treatment of neurodegenerative disorders such as Alzheimer's disease. Among the pharmacological actions of MB, is the significant inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). These activities may, at least in part, underlie MB's beneficial effects in Alzheimer's disease. MB is metabolized to yield N-demethylated products of which azure B, the monodemethyl metabolite, is the predominant species. Azure B has been shown to be pharmacologically active and also possesses a variety of biological actions. Azure B therefore may contribute to the pharmacological profile of MB. Based on these considerations, the present study investigates the possibility that azure B may, similar to MB, act as an inhibitor of human AChE and BuChE. The results document that azure B inhibits AChE and BuChE with IC{sub 50} values of 0.486 μM and 1.99 μM, respectively. The results further show that azure B inhibits AChE and BuChE reversibly, and that the modes of inhibition are most likely competitive. Although the AChE and BuChE inhibitory activities of azure B are twofold and fivefold, respectively, less potent than those recorded for MB [IC{sub 50}(AChE) = 0.214 μM; IC{sub 50}(BuChE) = 0.389 μM] under identical conditions, azure B may be a contributor to MB's in vivo activation of the cholinergic system and beneficial effects in Alzheimer's disease. - Highlights: • Methylene blue (MB) is a known inhibitor of AChE and BuChE. • Azure B, the major metabolite of MB, also is an inhibitor of AChE and BuChE. • Azure B may be a contributor to MB's in vivo activation of the cholinergic system. • Azure B may contribute to MB's potential in Alzheimer's disease therapy.

  13. GNU Bug Reports

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    GLADY CASSIT Y VANDALIA MURPHY CR EEK BU CKHN-CENT URY CLAY GLENVILLE N MINNORA JARVISVILLE FAR MINGTON PH ILIPPI BELIN GT ON WAYN ESBUR G PR UNT Y GLENVILLE S CAVE RUN TAYLOR DRAIN ROSEDALE ST MPT-N RMNT-SHK WESTON-JAN E LEW SWN DL-WID EN VADIS STANL EY DEKALB UNION TALLM AN SVILL E ASPINALL-FIN ST ER ZOLLARSVILLE WILBU R RAMSEY HEATER S BR IDGEPORT-PRUNT YTOWN ALEXAND ER LILLY FORK SH ERMAN HIRAM ST FK-BLST N CK BU RNS CH APEL S BR WN -LUM BER PORT CON INGS PR ATT BOSWELL REVEL ELK C REEK

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    ... sllou@hnu.edu.cn ; Au, Chak-Tong ; Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong ; Li, Xue-Jun Graphical abstract: Display Omitted Highlights: ...

  15. A comparison between spectra of runaway electron beams in SF...

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    Authors: Zhang, Cheng ; Wang, Ruexue ; Yan, Ping ; Shao, Tao, E-mail: st@mail.iee.ac.cn 1 ; Key Laboratory of Power Electronics and Electric Drive, Chinese Academy of Sciences, ...

  16. Analysis of NaOH releases for Hanford tank farms

    SciTech Connect (OSTI)

    Ryan, G.W., Westinghouse Hanford

    1996-09-12

    The information contained in the canceled document is now located in the document: Consequence Analysis of a NaOH Solution Spray Release During Addition to Waste Tank, WHC-SD-WM-CN-065.

  17. Supergravity inflation with broken shift symmetry and largetensor...

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    Authors: Li, Tianjun 1 ; Li, Zhijin ; Nanopoulos, Dimitri V., E-mail: tli@itp.ac.cn, E-mail: lizhijin@physics.tamu.edu, E-mail: dimitri@physics.tamu.edu 2 + Show Author ...

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  1. Application to export Electric Energy OE Docket No. EA-210-C...

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  4. EA-97-D Portland General Electric Company | Department of Energy

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    amino acids, thus confirming the NanoSIMS analysis. NanoSIMS secondary-ion images of an ultramicrotomed TEM section of biofilm. Nitrogen was detected as CN-, NO-,...

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  17. EA-257-D Emera Energy Services, Inc. | Department of Energy

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  18. Application to Export Electric Energy OE Docket No. EA-321-A...

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  20. 1

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  2. Investigations of Possible Low-Level Temperature and Moisture...

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  10. EA-385 Dynasty Power Inc. | Department of Energy

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    G.N. Knyazheva FLNR, J INR Interna5onal S ymposium Superheavy N uclei 2 015 Texas, U SA, M arch 2 015 Fusion p robability i n heavy i on i nduced reac4ons Fusion p robability SHE2015 2 σ ER = σ cap × P CN × W sur Fusion p robability SHE2015 3 σ ER = σ cap × P CN × W sur Compe55on b etween F usion a nd Quasifission * Z 1 Z 2 * Entrance c hannel m ass a symmetry α * Mean fi ssility p arameter X m =0.75X eff +0.25X CN P CN i s a f unc5on o f r eac5on e ntrance c hannel * ER a nd fi ssion c

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  15. Method for metabolizing carbazole in petroleum

    DOE Patents [OSTI]

    Kayser, Kevin J.; Kilbane, II, John J.

    2005-09-13

    A method for selective cleavage of C--N bonds genes that encode for at least one enzyme suitable for conversion of carbazole to 2-aminobiphenyl-2,3-diol are combined with a gene encoding an amidase suitable for selectively cleaving a C--N bond in 2-aminobiphenyl-2,3-diol, forming an operon that encodes for cleavage of both C--N bonds of said carbazole. The operon is inserted into a host culture which, in turn, is contacted with the carbazole, resulting in selective cleavage of both C--N bonds of the carbazole. Also disclosed is a new microorganism that expresses a carbazole degradation trait constitutively and a method for degrading carbazole employing this microorganism.

  16. EA-209-C Cargill Power Markets LLC | Department of Energy

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  19. Near-Earth injection of MeV electrons associated with intense...

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  1. Application to Export Electric Energy OE Docket No. EA-388 TEC...

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  2. Application to Export Electric Energy OE Docket No. EA-171-D...

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  3. Pennington To Lead Jefferson Lab Theory Center | Jefferson Lab

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  1. Experimental Design for a Macrofoam Swab Study Relating the Recovery Efficiency and False Negative Rate to Low Concentrations of Two Bacillus anthracis Surrogates on Four Surface Materials

    SciTech Connect (OSTI)

    Piepel, Gregory F.; Hutchison, Janine R.

    2014-04-16

    This report describes the experimental design for a laboratory study to quantify the recovery efficiencies and false negative rates of a validated, macrofoam swab sampling method for low concentrations of Bacillus anthracis Sterne (BAS) and Bacillus atrophaeus (BG) spores on four surface materials (stainless steel, glass, vinyl tile, plastic light cover panel). Two analytical methods (plating/counting and polymerase chain reaction) will be used. Only one previous study has investigated false negative as a function of affecting test factors. The surrogates BAS and BG have not been tested together in the same study previously. Hence, this study will provide for completing gaps in the available information on the performance of macrofoam swab sampling at low concentrations.

  2. Enhancement of second harmonic generation in NaNO{sub 2}-infiltrated opal photonic crystal using structural light focusing

    SciTech Connect (OSTI)

    Zaytsev, Kirill I. Yurchenko, Stanislav O.

    2014-08-04

    Experimental and numerical results for second harmonic generation (SHG) in photonic crystal (PC) based on NaNO{sub 2}-infiltrated opal matrix are presented. SHG is performed in reflection mode; thus, the direction of the SHG maximum is equal to the angle of mirror reflection. The PC was pumped with femtosecond optical pulses at different angles of incidence, allowing the dependence of the SHG efficiency on the location of the fundamental wavelength toward the PC band gap (BG) to be examined. The most efficient SHG was observed when pumping the BG of the PC. To interpret the experimental results, finite-difference time-domain numerical simulations of the light interaction with the PC were conducted. The observed effect of highly efficient SHG is associated with structural light focusing, and, as a consequence, with strong optical field localization within certain near-surface PC regions. Thus, SHG enhancement based on structural light focusing in PC was demonstrated.

  3. Experimental Design for a Macrofoam-Swab Study Relating the Recovery Efficiency and False Negative Rate to Low Concentrations of Two Bacillus anthracis Surrogates on Four Surface Materials

    SciTech Connect (OSTI)

    Piepel, Gregory F.; Hutchison, Janine R.

    2014-12-05

    This report describes the experimental design for a laboratory study to quantify the recovery efficiencies and false negative rates of a validated, macrofoam-swab sampling method for low concentrations of Bacillus anthracis Sterne (BAS) and Bacillus atrophaeus (BG) spores on four surface materials (stainless steel, glass, vinyl tile, plastic light cover panel). Two analytical methods (culture and polymerase chain reaction) will be used. Only one previous study has investigated how the false negative rate depends on test factors. The surrogates BAS and BG have not been tested together in the same study previously. Hence, this study will provide for completing gaps in the available information on the performance of macrofoam-swab sampling at low concentrations.

  4. Characterization of UMT2013 Performance on Advanced Architectures

    SciTech Connect (OSTI)

    Howell, Louis

    2014-12-31

    This paper presents part of a larger effort to make detailed assessments of several proxy applications on various advanced architectures, with the eventual goal of extending these assessments to codes of programmatic interest running more realistic simulations. The focus here is on UMT2013, a proxy implementation of deterministic transport for unstructured meshes. I present weak and strong MPI scaling results and studies of OpenMP efficiency on the Sequoia BG/Q system at LLNL, with comparison against similar tests on an Intel Sandy Bridge TLCC2 system. The hardware counters on BG/Q provide detailed information on many aspects of on-node performance, while information from the mpiP tool gives insight into the reasons for the differing scaling behavior on these two different architectures. Preliminary tests that exploit NVRAM as extended memory on an Ivy Bridge machine designed for “Big Data” applications are also included.

  5. Defining photometric peculiar type Ia supernovae

    SciTech Connect (OSTI)

    González-Gaitán, S.; Pignata, G.; Förster, F.; Gutiérrez, C. P.; Bufano, F.; Galbany, L.; Hamuy, M.; De Jaeger, T.; Hsiao, E. Y.; Phillips, M. M.; Folatelli, G.; Anderson, J. P.

    2014-11-10

    We present a new photometric identification technique for SN 1991bg-like type Ia supernovae (SNe Ia), i.e., objects with light curve characteristics such as later primary maxima and the absence of a secondary peak in redder filters. This method is capable of selecting this sub-group from the normal type Ia population. Furthermore, we find that recently identified peculiar sub-types such as SNe Iax and super-Chandrasekhar SNe Ia have photometric characteristics similar to 91bg-like SNe Ia, namely, the absence of secondary maxima and shoulders at longer wavelengths, and can also be classified with our technique. The similarity of these different SN Ia sub-groups perhaps suggests common physical conditions. This typing methodology permits the photometric identification of peculiar SNe Ia in large upcoming wide-field surveys either to study them further or to obtain a pure sample of normal SNe Ia for cosmological studies.

  6. Research Highlight

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

    Increased Accuracy for Sky Imager Retrievals Download a printable PDF Submitter: Long, C. N., NOAA Global Monitoring Division/CIRES Area of Research: Cloud Distributions/Characterizations Working Group(s): Cloud Properties Journal Reference: Long CN. 2010. "Correcting for circumsolar and near-horizon errors in sky cover retrievals from sky images." The Open Atmospheric Science Journal, 4, doi:10.2174/1874282301004010045. Long CN, JM Sabburg, J Calbo, and D Pages. 2006. "Retrieving

  7. Policies | Argonne Leadership Computing Facility

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

    Accounts Policy Account Sponsorship & Retention Policy ALCC Quarterly Report Policy ALCF Acknowledgment Policy Data Policy INCITE Quarterly Report Policy Job Scheduling Policy on BG/Q Job Scheduling Policies on Cooley Pullback Policy Refund Policy Software Policy User Authentication Policy Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] Policies Official policies and procedures of the ALCF.

  8. Account Sponsorship & Retention Policy | Argonne Leadership Computing

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

    Facility Allocations Mira/Cetus/Vesta Cooley Policies Accounts Policy Account Sponsorship & Retention Policy ALCC Quarterly Report Policy ALCF Acknowledgment Policy Data Policy INCITE Quarterly Report Policy Job Scheduling Policy on BG/Q Job Scheduling Policies on Cooley Pullback Policy Refund Policy Software Policy User Authentication Policy Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback

  9. Performance Application Programming Interface

    Energy Science and Technology Software Center (OSTI)

    2005-10-31

    PAPI is a programming interface designed to provide the tool designer and application engineer with a consistent interface and methodology for use of the performance counter hardware found in most major microprocessors. PAPI enables software engineers to see, in near real time, the relation between software performance and processor events. This release covers the hardware dependent implementation of PAPI version 3 for the IBM BlueGene/L (BG/L) system.

  10. INCITE Quarterly Report Policy | Argonne Leadership Computing Facility

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

    Cooley Policies Accounts Policy Account Sponsorship & Retention Policy ALCC Quarterly Report Policy ALCF Acknowledgment Policy Data Policy INCITE Quarterly Report Policy Job Scheduling Policy on BG/Q Job Scheduling Policies on Cooley Pullback Policy Refund Policy Software Policy User Authentication Policy Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] INCITE Quarterly Report Policy

  11. ARM - Events Article

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

    January 5, 2012 [Events] EGU 2012 Call for Abstracts Bookmark and Share Abstracts are being accepted for Session BG2.8: Remote Sensing and Data Assimilation in the Biogeosciences, which will take place during the 2012 European Geosciences Union General Assembly in Vienna, Austria, April 22-27. This session aims to bring together scientists developing remote sensing techniques, products, and models leading to strategies with a higher (bio-geophysical) impact on the stability and sustainability of

  12. Application of clearance automatic laser inspection system to clearance measurement of concrete waste

    SciTech Connect (OSTI)

    Sasaki, Michiya; Ogino, Haruyuki; Hattori, Takatoshi

    2007-07-01

    Recently, the Clearance Automatic Laser Inspection System (CLALIS) has been developed for the clearance measurement of metal scraps. It utilizes three-dimensional (3D) laser scanning, y-ray measurement and Monte Carlo calculation, and has outstanding detection ability. For the clearance measurement of concrete segments, the effect of background (BG) gamma rays from natural radionuclides in the measurement target, such as K-40 and the radioactive decay products of Th-232 and U-238, should be compensated for to ensure adequate waste management. Since NE102A plastic scintillation detectors are used for y-ray measurement in CLALIS, it is impossible to distinguish between count rates of natural radionuclides and contaminants on the basis of gamma-ray energy information. To apply CLALIS to the clearance measurement of concrete segments, the original activity evaluation method was improved by adding a new compensation procedure. In this procedure, BG count rate due to natural radionuclides is estimated by a Monte Carlo calculation with pre-analyzed data of a representative sample of the measurement target. The activity concentration of natural radionuclides in concrete differs markedly depending on the production location of its components, such as cement and aggregates. In this study, using six mock concrete waste samples, which were composed of cement and fine aggregate from various production locations, the accuracy of BG compensation was experimentally estimated. In addition, the accuracy of calibration for concrete waste was also estimated using a number of mock concrete segments of small and large triangular prisms. By considering the uncertainties of BG compensation and calibration, the detection limit of CLALIS for concrete waste was estimated. As a result, it was revealed that CLALIS could be applied to the clearance measurement of concrete segments when the mass of the measurement target is greater than approximately 1.1 kg and the key radionuclide is Co-60

  13. Computational Nuclear Structure | Argonne Leadership Computing Facility

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

    Excellent scaling is achieved by the production Automatic Dynamic Load Balancing (ADLB) library on the BG/P. Computational Nuclear Structure PI Name: David Dean Hai Nam PI Email: namha@ornl.gov deandj@ornl.gov Institution: Oak Ridge National Laboratory Allocation Program: INCITE Allocation Hours at ALCF: 15 Million Year: 2010 Research Domain: Physics Researchers from Oak Ridge and Argonne national laboratories are using complementary techniques, including Green's Function Monte Carlo, the No

  14. Software Policy | Argonne Leadership Computing Facility

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

    Cooley Policies Accounts Policy Account Sponsorship & Retention Policy ALCC Quarterly Report Policy ALCF Acknowledgment Policy Data Policy INCITE Quarterly Report Policy Job Scheduling Policy on BG/Q Job Scheduling Policies on Cooley Pullback Policy Refund Policy Software Policy User Authentication Policy Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] Software Policy ALCF Resource Software

  15. Blue Gene/Q Versus Blue Gene/P | Argonne Leadership Computing Facility

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

    System Overview Blue Gene/Q Versus Blue Gene/P BG/Q Drivers Status Machine Overview Machine Partitions Torus Network Data Storage & File Systems Compiling & Linking Queueing & Running Jobs Data Transfer Debugging & Profiling Performance Tools & APIs Software & Libraries IBM References Cooley Policies Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] Blue Gene/Q Versus Blue

  16. Cobalt Job Control | Argonne Leadership Computing Facility

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

    Reservations Cobalt Job Control How to Queue a Job Running Jobs FAQs Queuing and Running on BG/Q Systems Data Transfer Debugging & Profiling Performance Tools & APIs Software & Libraries IBM References Cooley Policies Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] Cobalt Job Control The queuing system used at ALCF is Cobalt. Cobalt has two ways to queue a run: the basic method and

  17. Compiling and Linking FAQ | Argonne Leadership Computing Facility

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

    Overview of How to Compile and Link Example Program and Makefile for BG/Q How to Manage Threading bgclang Compiler Compiling and Linking FAQ Queueing & Running Jobs Data Transfer Debugging & Profiling Performance Tools & APIs Software & Libraries IBM References Cooley Policies Documentation Feedback Please provide feedback to help guide us as we continue to build documentation for our new computing resource. [Feedback Form] Compiling and Linking FAQ Contents Where do I find

  18. Air-stable solution-processed n-channel organic thin film transistors with polymer-enhanced morphology

    SciTech Connect (OSTI)

    He, Zhengran; Shaik, Shoieb; Bi, Sheng; Li, Dawen; Chen, Jihua

    2015-05-04

    N,N′-1H,1H-perfluorobutyl dicyanoperylenecarboxydiimide (PDIF-CN{sub 2}) is an n-type semiconductor exhibiting high electron mobility and excellent air stability. However, the reported electron mobility based on spin-coated PDIF-CN{sub 2} film is much lower than the value of PDIF-CN{sub 2} single crystals made from vapor phase deposition, indicating significant room for mobility enhancement. In this study, various insulating polymers, including poly(vinyl alcohol), poly(methyl methacrylate) (PMMA), and poly(alpha-methylstyrene) (PαMS), are pre-coated on silicon substrate aiming to enhance the morphology of the PDIF-CN{sub 2} thin film, thereby improving the charge transport and air stability. Atomic force microscopy images reveal that with the pre-deposition of PαMS or PMMA polymers, the morphology of the PDIF-CN{sub 2} polycrystalline films is optimized in semiconducting crystal connectivity, domain size, and surface roughness, which leads to significant improvement of organic thin-film transistor (OTFT) performance. Particularly, an electron mobility of up to 0.55 cm{sup 2}/V s has been achieved from OTFTs based on the PDIF-CN{sub 2} film with the pre-deposition of PαMS polymer.

  19. Characterization of Proxy Application Performance on Advanced Architectures. UMT2013, MCB, AMG2013

    SciTech Connect (OSTI)

    Howell, Louis H.; Gunney, Brian T.; Bhatele, Abhinav

    2015-10-09

    Three codes were tested at LLNL as part of a Tri-Lab effort to make detailed assessments of several proxy applications on various advanced architectures, with the eventual goal of extending these assessments to codes of programmatic interest running more realistic simulations. Teams from Sandia and Los Alamos tested proxy apps of their own. The focus in this report is on the LLNL codes UMT2013, MCB, and AMG2013. We present weak and strong MPI scaling results and studies of OpenMP efficiency on a large BG/Q system at LLNL, with comparison against similar tests on an Intel Sandy Bridge TLCC2 system. The hardware counters on BG/Q provide detailed information on many aspects of on-node performance, while information from the mpiP tool gives insight into the reasons for the differing scaling behavior on these two different architectures. Results from three more speculative tests are also included: one that exploits NVRAM as extended memory, one that studies performance under a power bound, and one that illustrates the effects of changing the torus network mapping on BG/Q.

  20. Development of high strength hydroxyapatite for bone tissue regeneration using nanobioactive glass composites

    SciTech Connect (OSTI)

    Shrivastava, Pragya; Dalai, Sridhar; Vijayalakshmi, S.; Sudera, Prerna; Sivam, Santosh Param; Sharma, Pratibha

    2013-02-05

    With an increasing demand of biocompatible bone substitutes for the treatment of bone diseases and bone tissue regeneration, bioactive glass composites are being tested to improvise the osteoconductive as well as osteoinductive properties. Nanobioactive glass (nBG) composites, having composition of SiO{sub 2} 70 mol%, CaO 26 mol % and P{sub 2}O{sub 5} 4 mol% were prepared by Freeze drying method using PEG-PPG-PEG co-polymer. Polymer addition improves the mechanical strength and porosity of the scaffold of nBG. Nano Bioactive glass composites upon implantation undergo specific reactions leading to the formation of crystalline hydroxyapatite (HA). This is tested in vitro using Simulated Body Fluid (SBF). This high strength hydroxyapatite (HA) layer acts as osteoconductive in cellular environment, by acting as mineral base of bones, onto which new bone cells proliferate leading to new bone formation. Strength of the nBG composites as well as HA is in the range of cortical and cancellous bone, thus proving significant for bone tissue regeneration substitutes.

  1. HIGH PRESSURE COAL COMBUSTION KINETICS PROJECT

    SciTech Connect (OSTI)

    Stefano Orsino

    2003-07-25

    NEA completed the CFD simulations for all NBFZ tests. SRI resumed work on HPBO experiments and conducted preliminary tests using the UCONN impactor. UCONN prepared several samples of char for cross-sectional analysis by SEM and characterization is underway. BU completed the NBFZ char characterization program. CBK model had been implemented into Fluent.

  2. Lanthanide(III) di- and tetra-nuclear complexes supported by a chelating tripodal tris(amidate) ligand

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

    Brown, Jessie L.; Jones, Matthew B.; Gaunt, Andrew J.; Scott, Brian L.; MacBeth, Cora E.; Gordon, John C.

    2015-04-06

    Syntheses, structural, and spectroscopic characterization of multinuclear tris(amidate) lanthanide complexes is described. Addition of K3[N(o-PhNC(O)tBu)3] to LnX3 (LnX3 = LaBr3, CeI3, and NdCl3) in N,N-dimethylformamide (DMF) results in the generation of dinuclear complexes, [Ln(N(o-PhNC(O)tBu)3)(DMF)]2(μ-DMF) (Ln = La (1), Ce (2), Nd(3)), in good yields. Syntheses of tetranuclear complexes, [Ln(N(o-PhNC(O)tBu)3)]4 (Ln = Ce (4), Nd(5)), resulted from protonolysis of Ln[N(SiMe3)2]3 (Ln = Ce, Nd) with N(o-PhNCH(O)tBu)3. As a result, in the solid-state, complexes 1–5 exhibit coordination modes of the tripodal tris(amidate) ligand that are unique to the 4f elements and have not been previously observed in transition metal systems.

  3. Search for: All records | DOE PAGES

    Office of Scientific and Technical Information (OSTI)

    Hong, Kunlun (1) Hu, Qiao-Sheng (1) Xing, Chun-Hui (1) Zhang, Honghai (1) Save Results ... or Pd2(dba)3t Bu3PArX as the Initiator Zhang, Honghai ; Xing, Chun-Hui ; Hu, Qiao-Sheng ...

  4. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Similarly, di-n-propyl- or di-n-butylether gives Cp'2Ce(O-n-Pr) and propane or Cp'2Ce(O-n-Bu) and butane, respectively. Using Cp'2CeD, the propane and butane contain deuterium ...

  5. Microsoft Word - lblsubethers.doc

    Office of Scientific and Technical Information (OSTI)

    Similarly, di-n-propyl- or di-n-butylether gives Cp' 2 Ce(O-n- Pr) and propane or Cp' 2 Ce(O-n-Bu) and butane, respectively. Using Cp' 2 CeD, the propane and butane contain ...

  6. Splitting a C-O bond in dialkylethers withbis(1,2,4-tri-t-butylcyclop...

    Office of Scientific and Technical Information (OSTI)

    Similarly, di-n-propyl- or di-n-butylether gives Cp'2Ce(O-n-Pr) and propane or Cp'2Ce(O-n-Bu) and butane, respectively. Using Cp'2CeD, the propane and butane contain deuterium ...

  7. S?. LL-UIIS WLLM

    Office of Legacy Management (LM)

    No. 31 12187 IEmN wffi WE ST. Lulls m ST. cows awv m S?. LL-UIIS WLLM ftl M NV 9 HIC ltRElWXDwIDloIC6IC WVCf ., sm. m buTm1Iv IJm-n Fww. DECMPIISSI 1NltEEhU 1"O'S. llE...

  8. A=19F (1983AJ01)

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

    1978DA1N, 1978MA2H, 1979DA15, 1980KU05, 1980MC1L, 1981ER03, 1981GR06, 1982KI02). Cluster, collective and rotational models: (1977BU22, 1977FO1E, 1978BR21, 1978CH26,...

  9. Controlled Synthesis of Polyenes by Catalytic Methods. Progress Report, December 1, 1992 -- November 30, 1993

    DOE R&D Accomplishments [OSTI]

    Schrock, R. R.

    1993-12-01

    Four studies are reported: living cyclopolymerization of diethyl dipropargylmalonate by Mo(CH-t-Bu)(NAr)[OCMe(CF{sub 3}){sub 2}]{sub 2} in dimethoxyethane, effect of chain length on conductivity of polyacetylene, nonlinear optical analysis of a series of triblock copolymers containing model polyenes, and synthesis of bifunctional hexafluoro-t-butoxide Mo species and their use as initiators in ROMP reactions.

  10. A=19C (1972AJ02)

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

    2AJ02) (Not illustrated) 19C may have been observed in the 3 GeV proton bombardment of a 197Au target: if so it is particle stable (1970RA1A). Its mass excess must then be < 37.9 MeV (18C + n). See also (1960ZE03, 1971BU1E

  11. A=20N (1972AJ02)

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

    2AJ02) (Not illustrated) 20N has been observed in the bombardment of 232Th by 122 MeV 18O ions (1969AR13, 1970AR1D) and in the 3 GeV proton bombardment of 197Au (1970RA1A): it is particle stable. See also (1960ZE03, 1961BA1C, 1971BU1E

  12. Gold–superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study

    SciTech Connect (OSTI)

    Rampino, Sergio Belpassi, Leonardo

    2015-07-14

    The chemistry of superheavy elements (Z ≥ 104) is actively investigated in atom-at-a-time experiments of volatility through adsorption on gold surfaces. In this context, common guidelines for interpretation based on group trends in the periodic table should be used cautiously, because relativistic effects play a central role and may cause predictions to fall short. In this paper, we present an all-electron four-component Dirac-Kohn-Sham comparative study of the interaction of gold with Cn (Z = 112), Fl (Z = 114), and Uuo (Z = 118) versus their lighter homologues of the 6th period, Hg, Pb, and Rn plus the noble gas Xe. Calculations were carried out for Au–E (E = Hg, Cn, Pb, Fl, Xe, Rn, Uuo), Au{sub 7}– and Au{sub 20}–E (E = Hg, Cn, Pb, Fl, Rn) complexes, where Au{sub 7} (planar) and Au{sub 20} (pyramidal) are experimentally determined clusters having structures of increasing complexity. Results are analysed both in terms of the energetics of the complexes and of the electron charge rearrangement accompanying their formation. In line with the available experimental data, Cn and more markedly Fl are found to be less reactive than their lighter homologues. On the contrary, Uuo is found to be more reactive than Rn and Xe. Cn forms the weakest bond with the gold atom, compared to Fl and Uuo. The reactivity of Fl decreases with increasing gold-fragment size more rapidly than that of Cn and, as a consequence, the order of the reactivity of these two elements is inverted upon reaching the Au{sub 20}-cluster adduct. Density difference maps between adducts and fragments reveal similarities in the behaviour of Cn and Xe, and in that of Uuo and the more reactive species Hg and Pb. These findings are given a quantitative ground via charge-displacement analysis.

  13. LOW-RESOLUTION SPECTROSCOPY FOR THE GLOBULAR CLUSTERS WITH SIGNS OF SUPERNOVA ENRICHMENT: M22, NGC 1851, AND NGC 288

    SciTech Connect (OSTI)

    Lim, Dongwook; Han, Sang-Il; Lee, Young-Wook; Roh, Dong-Goo; Sohn, Young-Jong; Chun, Sang-Hyun; Lee, Jae-Woo; Johnson, Christian I.

    2015-01-01

    There is increasing evidence for the presence of multiple red giant branches (RGBs) in the color-magnitude diagrams of massive globular clusters (GCs). In order to investigate the origin of this split on the RGB, we have performed new narrow-band Ca photometry and low-resolution spectroscopy for M22, NGC 1851, and NGC 288. We find significant differences (more than 4σ) in calcium abundance from the spectroscopic HK' index for M22 and NGC 1851. We also find more than 8σ differences in CN-band strength between the Ca-strong and Ca-weak subpopulations for these GCs. For NGC 288, however, a large difference is detected only in the CN strength. The calcium abundances of RGB stars in this GC are identical to within the errors. This is consistent with the conclusion from our new Ca photometry where the RGB splits are confirmed in M22 and NGC 1851, but not in NGC 288. We also find interesting differences in the CN-CH correlations among these GCs. While CN and CH are anti-correlated in NGC 288, they show a positive correlation in M22. NGC 1851, however, shows no difference in CH between the two groups of stars with different CN strengths. We suggest that all of these systematic differences would be best explained by how strongly Type II supernovae enrichment has contributed to the chemical evolution of these GCs.

  14. Effect of. cap alpha. -ketobutyrate on the metabolism of pyruvate and palmitate in isolated rat hepatocytes

    SciTech Connect (OSTI)

    Brass, E.P.

    1986-05-01

    Alpha-ketobutyrate (..cap alpha..KB), an intermediate in the catabolism of threonine and methionine, is decarboxylated to propionyl-CoA. The authors have reported that propionate (PROP) inhibits oxidative metabolism in rate hepatocytes. Based on these observations, the present study examined the effects of ..cap alpha..KB on pyruvate and palmitate metabolism in hepatocytes isolated from fed rats. Similar to PROP, ..cap alpha..KB (10mM) inhibited palmitate oxidation and this inhibition was diminished when 10mM carnitine (CN) was added (35 +/- 6% inhibition without CN, 22 +/- 8% with CN). ..cap alpha..KB inhibited the conversion of 3-/sup 14/C-pyruvate to glucose and CO/sub 2/. Inhibition of pyruvate metabolism by ..cap alpha..KB was concentration-dependent. At equal concentrations, ..cap alpha..KB inhibited pyruvate metabolism to a greater extent than PROP. Addition of CN partially reversed the effects of PROP on pyruvate metabolism, but not those of ..cap alpha..KB despite the generation of propionylcarnitine when ..cap alpha..KB and CN were included in the incubation. These results demonstrate that accumulation of ..cap alpha..KB can impair normal hepatocyte metabolism. While some of the effects of ..cap alpha..KB can be explained on the basis of propionyl-CoA formation, ..cap alpha..KB has effects on pyruvate metabolism not explainable by this mechanism.

  15. Methods for preparing colloidal nanocrystal-based thin films

    DOE Patents [OSTI]

    Kagan, Cherie R.; Fafarman, Aaron T.; Choi, Ji-Hyuk; Koh, Weon-kyu; Kim, David K.; Oh, Soong Ju; Lai, Yuming; Hong, Sung-Hoon; Saudari, Sangameshwar Rao; Murray, Christopher B.

    2016-05-10

    Methods of exchanging ligands to form colloidal nanocrystals (NCs) with chalcogenocyanate (xCN)-based ligands and apparatuses using the same are disclosed. The ligands may be exchanged by assembling NCs into a thin film and immersing the thin film in a solution containing xCN-based ligands. The ligands may also be exchanged by mixing a xCN-based solution with a dispersion of NCs, flocculating the mixture, centrifuging the mixture, discarding the supernatant, adding a solvent to the pellet, and dispersing the solvent and pellet to form dispersed NCs with exchanged xCN-ligands. The NCs with xCN-based ligands may be used to form thin film devices and/or other electronic, optoelectronic, and photonic devices. Devices comprising nanocrystal-based thin films and methods for forming such devices are also disclosed. These devices may be constructed by depositing NCs on to a substrate to form an NC thin film and then doping the thin film by evaporation and thermal diffusion.

  16. Hypergeometric Forms for Ising-Class Integrals

    SciTech Connect (OSTI)

    Bailey, David H.; Borwein, David; Borwein, Jonathan M.; Crandall,Richard E.

    2006-07-01

    We apply experimental-mathematical principles to analyzecertain integrals relevant to the Ising theory of solid-state physics. Wefind representations of the these integrals in terms of MeijerG-functions and nested-Barnes integrals. Our investigations began bycomputing 500-digit numerical values of Cn,k,namely a 2-D array of Isingintegrals for all integers n, k where n is in [2,12]and k is in [0,25].We found that some Cn,k enjoy exact evaluations involving DirichletL-functions or the Riemann zeta function. In theprocess of analyzinghypergeometric representations, we found -- experimentally and strikingly-- that the Cn,k almost certainly satisfy certain inter-indicialrelations including discrete k-recursions. Using generating functions,differential theory, complex analysis, and Wilf-Zeilberger algorithms weare able to prove some central cases of these relations.

  17. Synthesis of alpha-amino acids

    DOE Patents [OSTI]

    Davis, J.W. Jr.

    1983-01-25

    A method is described for synthesizing alpha amino acids proceeding through novel intermediates of the formulas: R[sub 1]R[sub 2]C(OSOCl)CN, R[sub 1]R[sub 2]C(Cl)CN and [R[sub 1]R[sub 2]C(CN)O][sub 2]SO wherein R[sub 1] and R[sub 2] are each selected from hydrogen monovalent substituted and unsubstituted hydrocarbon radicals of 1 to 10 carbon atoms. The use of these intermediates allows the synthesis steps to be exothermic and results in an overall synthesis method which is faster than the synthesis methods of the prior art. No Drawings

  18. Prospective Randomized Double-Blind Pilot Study of Site-Specific Consensus Atlas Implementation for Rectal Cancer Target Volume Delineation in the Cooperative Group Setting

    SciTech Connect (OSTI)

    Fuller, Clifton D.; Nijkamp, Jasper; Duppen, Joop C.; Rasch, Coen R.N.; Thomas, Charles R.; Wang, Samuel J.; Okunieff, Paul; Jones, William E.; Baseman, Daniel; Patel, Shilpen; Demandante, Carlo G.N.; Harris, Anna M.; Smith, Benjamin D.; Katz, Alan W.; McGann, Camille

    2011-02-01

    Purpose: Variations in target volume delineation represent a significant hurdle in clinical trials involving conformal radiotherapy. We sought to determine the effect of a consensus guideline-based visual atlas on contouring the target volumes. Methods and Materials: A representative case was contoured (Scan 1) by 14 physician observers and a reference expert with and without target volume delineation instructions derived from a proposed rectal cancer clinical trial involving conformal radiotherapy. The gross tumor volume (GTV), and two clinical target volumes (CTVA, including the internal iliac, presacral, and perirectal nodes, and CTVB, which included the external iliac nodes) were contoured. The observers were randomly assigned to receipt (Group A) or nonreceipt (Group B) of a consensus guideline and atlas for anorectal cancers and then instructed to recontour the same case/images (Scan 2). Observer variation was analyzed volumetrically using the conformation number (CN, where CN = 1 equals total agreement). Results: Of 14 evaluable contour sets (1 expert and 7 Group A and 6 Group B observers), greater agreement was found for the GTV (mean CN, 0.75) than for the CTVs (mean CN, 0.46-0.65). Atlas exposure for Group A led to significantly increased interobserver agreement for CTVA (mean initial CN, 0.68, after atlas use, 0.76; p = .03) and increased agreement with the expert reference (initial mean CN, 0.58; after atlas use, 0.69; p = .02). For the GTV and CTVB, neither the interobserver nor the expert agreement was altered after atlas exposure. Conclusion: Consensus guideline atlas implementation resulted in a detectable difference in interobserver agreement and a greater approximation of expert volumes for the CTVA but not for the GTV or CTVB in the specified case. Visual atlas inclusion should be considered as a feature in future clinical trials incorporating conformal RT.

  19. Iron(II) catalysis in oxidation of hydrocarbons with ozone in acetonitrile

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

    Bataineh, Hajem; Pestovsky, Oleg; Bakac, Andreja

    2015-02-11

    Oxidation of alcohols, ethers, and sulfoxides by ozone in acetonitrile is catalyzed by submillimolar concentrations of Fe(CH3CN)62+. The catalyst provides both rate acceleration and greater selectivity toward the less oxidized products. For example, Fe(CH3CN)62+-catalyzed oxidation of benzyl alcohol yields benzaldehyde almost exclusively (>95%), whereas the uncatalyzed reaction generates a 1:1 mixture of benzaldehyde and benzoic acid. Similarly, aliphatic alcohols are oxidized to aldehydes/ketones, cyclobutanol to cyclobutanone, and diethyl ether to a 1:1 mixture of ethanol and acetaldehyde. The kinetics of oxidation of alcohols and diethyl ether are first-order in [Fe(CH3CN)62+] and [O3] and independent of [substrate] at concentrations greater thanmore » ~5 mM. In this regime, the rate constant for all of the alcohols is approximately the same, kcat = (8 ± 1) × 104 M–1 s–1, and that for (C2H5)2O is (5 ± 0.5) × 104 M–1 s–1. In the absence of substrate, Fe(CH3CN)62+ reacts with O3 with kFe = (9.3 ± 0.3) × 104 M–1 s–1. The similarity between the rate constants kFe and kcat strongly argues for Fe(CH3CN)62+/O3 reaction as rate-determining in catalytic oxidation. The active oxidant produced in Fe(CH3CN)62+/O3 reaction is suggested to be an Fe(IV) species in analogy with a related intermediate in aqueous solutions. As a result, this assignment is supported by the similarity in kinetic isotope effects and relative reactivities of the two species toward substrates.« less

  20. A=11C (1980AJ01)

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

    80AJ01) (See Energy Level Diagrams for 11C) GENERAL: See also (1975AJ02) and Table 11.19 [Table of Energy Levels] (in PDF or PS). Special levels: (1976IR1B). Astrophysical questions: (1976VI1A, 1977SC1D, 1977SI1D, 1978BU1B). Special reactions: (1975HU14, 1976BE1K, 1976BU16, 1976DI01, 1976HE1H, 1976LE1F, 1976SM07, 1977AR06, 1977AS03, 1977SC1G, 1978DI1A, 1978GE1C, 1978HE1C, 1979KA07, 1979VI05). Muon and neutrino capture and reactions: (1975DO1F, 1976DO1G). Pion capture and reactions (See also