National Library of Energy BETA

Sample records for br uff bu

  1. 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].

  2. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

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

    BIG PINEY TIP TOP BIR D CANYON SWAN FONTEN ELL E LABARGE HOGSBACK CHIMNEY BUT TE BIG PINEY AREA TIP TOP UNI T LINCOLN ROAD BLU E FOREST DEER HILL FOGART Y CREEK GREEN RIVER BEND ...

  3. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

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

    BIG PINEY TIP TOP BIR D CANYON SWAN FONTEN ELL E LABARGE HOGSBACK CHIMNEY BUT TE BIG PINEY AREA TIP TOP UNI T LINCOLN ROAD BLU E FOREST SWAN DEER HILL FOGART Y CREEK GREEN RIVER ...

  4. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

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

    Authors: Sam Limerick (1), Lucy Luo (1), Gary Long (2), David Morehouse (2), Jack Perrin (1), Steve Jackson (1) and Robert King (2) (1) Z, Inc., (2) Energy Information ...

  5. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

    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 ID 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

  6. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

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

    (1) and Robert King (2) (1) Z, Inc., (2) Energy Information Administration BIG PINEY TIP ... LINCOLN ROAD BLU E FOREST DEER HILL FOGART Y CREEK GREEN RIVER BEND DRY PINEY SWAN S ...

  7. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

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

    (1) and Robert King (2) (1) Z, Inc., (2) Energy Information Administration BIG PINEY TIP ... BLU E FOREST SWAN DEER HILL FOGART Y CREEK GREEN RIVER BEND DRY PINEY SWAN S HOGSBACK AREA ...

  8. br Owner br Facility br Type br Capacity br MW br Commercial...

    Open Energy Info (EERE)

    Owner br Facility br Type br Capacity br MW br Commercial br Online br Date br Geothermal br Area br Geothermal br Region Coordinates Ahuachapan Geothermal Power Plant LaGeo SA de...

  9. 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

  10. 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

  11. 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

  12. 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.

  13. 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:

  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. Jatropha BR | Open Energy Information

    Open Energy Info (EERE)

    BR Jump to: navigation, search Name: Jatropha BR Place: Brazil Product: Brazilian-based consortium of five leading Brazilian companies engaged in the integrated jatropha curcas...

  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. LAKESHORE AVON BR ANT-EDEN ALD EN-LANC ASTER AU BURN W SH ELDON

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

    81 § ¨ ¦ 81 LAKESHORE AVON BR ANT-EDEN ALD EN-LANC ASTER AU BURN W SH ELDON CALEDONIA HURON C REEK LEIC EST ER COL DEN ASH FORD INDIAN FALLS LAWTONS SAR DINIA RPD-037 -2 GLENWOOD PU LASKI PAVILION CON CORD COL LINS N ELM A ORC HARD PARK-H AMBU RG DANLEY CORNERS ST ILLWAT ER CHAFF EE-ARCAD E FAYETT E-WATERLOO LAKEVIEW JAVA SEN EC A W ELLER Y AU RORA E ZOAR BU FFALO TIOGA SILVER LAKE AKR ON ROM E RAT HBON E ALM A BET HANY WYOMING ULYSSES BR ANCH W SAN DY CREEK COL LINS BLOOMFIELD E LEBANON

  18. Photoinduced Br Desorption from CsBr Thin Films Grown on Cu(100)

    SciTech Connect (OSTI)

    Halliday, Matthew T.; Joly, Alan G.; Hess, Wayne P.; Shluger, AL

    2015-10-22

    Thin films of CsBr deposited onto metals such as copper are potential photocathode materials for light sources and other applications. We investigate desorption dynamics of Br atoms from CsBr films grown on insulator (KBr, LiF) and metal (Cu) substrates induced by sub-bandgap 6.4 eV laser pulses. The experimental results demonstrate that the peak kinetic energy of Br atoms desorbed from CsBr/Cu films is much lower than that for the hyperthermal desorption from CsBr/LiF films. Kelvin probe measurements indicate negative charge at the surface following Br desorption from CsBr/Cu films. Our ab initio calculations of excitons at CsBr surfaces demonstrate that this behavior can be explained by an exciton model of desorption including electron trapping at the CsBr surface. Trapped negative charges reduce the energy of surface excitons available for Br desorption. We examine the electron-trapping characteristics of low-coordinated sites at the surface, in particular, divacancies and kink sites. We also provide a model of cation desorption caused by Franck-Hertz excitation of F centers at the surface in the course of irradiation of CsBr/Cu films. These results provide new insights into the mechanisms of photoinduced structural evolution of alkali halide films on metal substrates and activation of metal photocathodes coated with CsBr.

  19. 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.

  20. 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

  1. 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.

  2. X-ray absorption studies of mixed salt polymer electrolytes: ZnBr{sub 2}/CaBr{sub 2}-PEO, ZnBr{sub 2}/LiBr-PEO, and ZnBr{sub 2}/RbBr-PEO complexes

    SciTech Connect (OSTI)

    McBreen, J.; Yang, X.Q.; Lee, H.S.; Okamoto, Y.

    1995-02-01

    Polyethylene oxide (PEO)-salt systems are an important new class of electrolytes that are being considered for many uses. X-ray absorption (XAS) studies of ZnBr{sub 2}-PEO complexes, at the Zn K edge, at temperatures between 25 and 120 C, indicate that additions of bromide salts of Li, Rb, or Ca result in the formation of ZnBr{sub 4}{sup {minus} 2} complexes with a Zn-Br bond length of 2.42 {angstrom}. XAS, at the Rb K edge, in mixed RbBr/ZnBr{sub 2}-PEO complexes with an excess of ZnBr{sub 2}, shows that the ZnBr{sub 2} causes the RbBr to dissolve in the polymer. The Rb{sup +} ions are weakly complexed with the PEO with an Rb-O bond distance of 2.93 {angstrom}.

  3. High energy XeBr electric discharge laser

    DOE Patents [OSTI]

    Sze, Robert C.; Scott, Peter B.

    1981-01-01

    A high energy XeBr laser for producing coherent radiation at 282 nm. The XeBr laser utilizes an electric discharge as the excitation source to minimize formation of molecular ions thereby minimizing absorption of laser radiation by the active medium. Additionally, HBr is used as the halogen donor which undergoes harpooning reactions with Xe.sub.M * to form XeBr*.

  4. High energy XeBr electric discharge laser

    DOE Patents [OSTI]

    Sze, R.C.; Scott, P.B.

    A high energy XeBr laser for producing coherent radiation at 282 nm is disclosed. The XeBr laser utilizes an electric discharge as the excitation source to minimize formation of molecular ions thereby minimizing absorption of laser radiation by the active medium. Additionally, HBr, is used as the halogen donor which undergoes harpooning reactions with Xe/sub M/ to form XeBr.

  5. Improved production of Br atoms near zero speed by photodissociating laser aligned Br{sub 2} molecules

    SciTech Connect (OSTI)

    Deng, L. Z., E-mail: lzdeng@phy.ecnu.edu.cn; Yin, J. P., E-mail: jpyin@phy.ecnu.edu.cn [State Key Laboratory of Precision Spectroscopy, Department of Physics, East China Normal University, Shanghai 200062 (China)

    2014-10-28

    We theoretically investigated the improvement on the production rate of the decelerated bromine (Br) atoms near zero speed by photodissociating laser aligned Br{sub 2} precursors. Adiabatic alignment of Br{sub 2} precursors exposed to long laser pulses with duration on the order of nanoseconds was investigated by solving the time-dependent Schrdinger equation. The dynamical fragmentation of adiabatically aligned Br{sub 2} precursors was simulated and velocity distribution of the Br atoms produced was analyzed. Our study shows that the larger the degree of the precursor alignment, ?cos{sup 2}???, the higher the production rate of the decelerated Br atoms near zero speed. For Br{sub 2} molecules with an initial rotational temperature of ?1 K, a ?cos{sup 2}??? value of ?0.88 can result in an improvement factor of over ?20 on the production rate of the decelerated Br atoms near zero speed, requiring a laser intensity of only ?1 10{sup 12} W/cm{sup 2} for alignment.

  6. Characterization of high-voltage cathodes in CsBr-LiBr-KBr eutectic electrolyte

    SciTech Connect (OSTI)

    GUIDOTTI,RONALD A.; REINHARDT,FREDERICK W.

    2000-04-20

    The transition-metal oxides LiMn{sub 2}O{sub 4}, MnO{sub 2}, CrO{sub 2}, and LiCoO{sub 2} were evaluated for possible use as high-voltage cathodes for potential geothermal power applications. These were coupled with Li(Si) anodes and a low-melting CsBr-LiBr-KBr eutectic electrolyte that melts at 228.5 C. Single-cell tests at 250 C and 300 C at 15.8 and 31.6 mA/cm{sup 2} showed that MnO{sub 2} performed the best overall and had the lowest polarization. A 5-cell battery test using LiMn{sub 2}O{sub 4} cathodes was only modestly successful due to possible parasitic chemical reactions between the cathode and electrolyte at the much higher temperature (500 C) during discharge. The overall energy densities for these cathode were still less than for FeS{sub 2}.

  7. Preliminary upper limit on BR(D{sup {+-}}{r_arrow}{pi}{sup {...

    Office of Scientific and Technical Information (OSTI)

    Preliminary upper limit on BR(Dsup +-rarrowpisup +-musup +musup -) Citation Details In-Document Search Title: Preliminary upper limit on BR(Dsup ...

  8. 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.

  9. Ca2+-Doped CeBr3 Scintillating Materials

    SciTech Connect (OSTI)

    Guss, Paul; Foster, Michael E.; Wong, Bryan M.; Doty, F. Patrick; Shah, Kanai; Squillante, Michael R.; Shirwadkar, Urmila; Hawrami, Rastgo; Tower, Josh; Yuan, Ding

    2014-01-21

    Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr3) and cerium-activated lanthanum tribromide, their commercial availability and application are limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. This investigation employed aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca2+) was used as a dopant to strengthen CeBr3 without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca2+ dopant were grown. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca2+-doped CeBr3 exhibited little or no change in the peak fluorescence emission for 371 nm optical excitation for CeBr3. The structural, electronic, and optical properties of CeBr3 crystals were studied using the density functional theory within the generalized gradient approximation. The calculated lattice parameters are in good agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr3, including the dielectric function, were calculated.

  10. Photoelectron Emission Studies in CsBr at 257 nm

    SciTech Connect (OSTI)

    Maldonado, Juan R.; Liu, Zhi; Sun, Yun; Pianetta, Piero A.; Pease, Fabian W.; /Stanford U., Elect. Eng. Dept. /SLAC, SSRL

    2006-09-28

    CsBr/Cr photocathodes were found [1,2] to meet the requirements of a multi-electron beam lithography system operating with a light energy of 4.8 eV (257nm). The fact that photoemission was observed with a light energy below the reported 7.3 eV band gap for CsBr was not understood. This paper presents experimental results on the presence of intra-band gap absorption sites (IBAS) in CsBr thin film photo electron emitters, and presents a model based on IBAS to explain the observed photoelectron emission behavior at energies below band gap. A fluorescence band centered at 330 nm with a FWHM of about 0.34 eV was observed in CsBr/Cr samples under 257 nm laser illumination which can be attributed to IBAS and agrees well with previously obtained synchrotron photoelectron spectra[1] from the valence band of CsBr films.

  11. 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

  12. Decommissioning of the BR3 reactor: status and perspectives

    SciTech Connect (OSTI)

    Noynaert, L.; Verstraeten, I.

    2007-07-01

    The BR3 plant at Mol in Belgium built at the end of the fifties was the first PWR plant built outside the USA. The reactor had a small net power output (10 MWe) but comprised all the loops and features of a commercial PWR plant. The BR3 plant was operated with the main objective of testing advanced PWR fuels under irradiation conditions similar to those encountered in large commercial PWR plants. The reactor was started in 1962 and shut down in 1987 after 25 years of continuous operation. Since 1989, SCK.CEN is decommissioning the BR3 PWR research reactor. The dismantling of the metallic components including reactor pressure vessel and internals is completed and extensively reported in the literature. The dismantling of auxiliary components and the decontamination of parts of the infrastructure are now going on. The decommissioning progress is continuously monitored and costs and strategy are regularly reassessed. The first part of the paper describes the main results and lessons learned from the reassessment exercises performed in 1994, 1999, 2004 and 2007. Impacts of changes in legal framework on the decommissioning costs will be addressed. These changes concern e.g. licensing aspects, clearance levels, waste management... The middle part of the paper discusses the management of activated and/or contaminated concrete. The costing exercise performed in 1995 highlighted that the management of activated and contaminated concrete is the second main cost item after the dismantling of the reactor pressure vessel and internals. Different possible solutions were studied. These are evacuation as radioactive waste with or without supercompaction, recycling this 'radioactive' grout or concrete for conditioning of radioactive waste e.g. conditioning of metallic waste. The paper will give the results of the cost-benefit analysis made to select the solution retained. The last part of the paper will discuss the end goal of the decommissioning of the BR3. In the final

  13. A preliminary report on the photoionization efficiency spectrum, ionization energy and heat of formation of Br{sub 2}O; and the appearance energy of BrO{sup +} (Br{sub 2}O)

    SciTech Connect (OSTI)

    Thorn, R.P. Jr.; Monks, P.S.; Stief, L.J.; Kuo, S.C.; Zhang, Z.; Klemm, R.B.

    1995-08-01

    We report experimental results for the photoionization efficiency (PIE) spectrum of Br{sub 2}O along with the ionization energy (derived form the ionization threshold) and the appearance energy (AE) of BrO{sup +} (Br{sub 2}O). A value for the heat of formation of Br{sub 2}O is derived form the AE result. Experiments were performed by employing a discharge flow-photoionization mass spectrometer (DF-PIMS) apparatus coupled to beamline U-11 at the National Synchrotron Light Source (NSLS) at Brookhaven National Laboratory.

  14. AmeriFlux BR-Sa3 Santarem-Km83-Logged Forest

    SciTech Connect (OSTI)

    Goulden, Mike

    2016-01-01

    This is the AmeriFlux version of the carbon flux data for the site BR-Sa3 Santarem-Km83-Logged Forest. Site Description - Cleared forest. Logged site is near km 83 along BR-183.

  15. Guide to Developing Air-Cooled Lithium Bromide (LiBr) Absorption...

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

    Guide to Developing Air-Cooled Lithium Bromide (LiBr) Absorption for CHP Applications, April 2005 Guide to Developing Air-Cooled Lithium Bromide (LiBr) Absorption for CHP...

  16. High gradient rf gun studies of CsBr photocathodes

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

    Vecchione, Theodore; Maldonado, Juan R.; Gierman, Stephen; Corbett, Jeff; Hartmann, Nick; Pianetta, Piero A.; Hesselink, Lambertus; Schmerge, John F.

    2015-04-03

    CsBr photocathodes have 10 times higher quantum efficiency with only 3 times larger intrinsic transverse emittance than copper. They are robust and can withstand 80 MV/m fields without breaking down or emitting dark current. They can operate in 2×10⁻⁹ torr vacuum and survive exposure to air. They are well suited for generating high pulse charge in rf guns without a photocathode transfer system.

  17. High gradient rf gun studies of CsBr photocathodes

    SciTech Connect (OSTI)

    Vecchione, Theodore; Maldonado, Juan R.; Gierman, Stephen; Corbett, Jeff; Hartmann, Nick; Pianetta, Piero A.; Hesselink, Lambertus; Schmerge, John F.

    2015-04-03

    CsBr photocathodes have 10 times higher quantum efficiency with only 3 times larger intrinsic transverse emittance than copper. They are robust and can withstand 80 MV/m fields without breaking down or emitting dark current. They can operate in 210?? torr vacuum and survive exposure to air. They are well suited for generating high pulse charge in rf guns without a photocathode transfer system.

  18. Improved Growth Methods for LaBr3 Scintillation Radiation Detectors

    SciTech Connect (OSTI)

    McGregor, Douglas S

    2011-05-01

    The objective is to develop advanced materials for deployment as high-resolution gamma ray detectors. Both LaBr3 and CeBr3 are advanced scintillation materials, and will be studied in this research. Prototype devices, in collaboration Sandia National Laboratories, will be demonstrated along with recommendations for mass production and deployment. It is anticipated that improved methods of crystal growth will yield larger single crystals of LaBr3 for deployable room-temperature operated gamma radiation spectrometers. The growth methods will be characterized. The LaBr3 and CeBr3 scintillation crystals will be characterized for light yield, spectral resolution, and for hardness.

  19. Natural Organobromine in Marine Sediments: New Evidence of Biogeochemical Br Cycling

    SciTech Connect (OSTI)

    A Leri; J Hakala; M Marcus; A Lanzirotti; C Reddy; S Myneni

    2011-12-31

    Organobromine (Br{sub org}) compounds, commonly recognized as persistent, toxic anthropogenic pollutants, are also produced naturally in terrestrial and marine systems. Several enzymatic and abiotic bromination mechanisms have been identified, as well as an array of natural Br{sub org} molecules associated with various marine organisms. The fate of the carbon-bromine functionality in the marine environment, however, remains largely unexplored. Oceanographic studies have noted an association between bromine (Br) and organic carbon (C{sub org}) in marine sediments. Even so, there has been no direct chemical evidence that Br in the sediments exists in a stable form apart from inorganic bromide (Br{sub inorg}), which is widely presumed conservative in marine systems. To investigate the scope of natural Br{sub org} production and its fate in the environment, we probed Br distribution and speciation in estuarine and marine sediments using in situ X-ray spectroscopy and spectromicroscopy. We show that Br{sub org} is ubiquitous throughout diverse sedimentary environments, occurring in correlation with C{sub org} and metals such as Fe, Ca, and Zn. Analysis of sinking particulate carbon from the seawater column links the Br{sub org} observed in sediments to biologically produced Br{sub org} compounds that persist through humification of natural organic matter (NOM). Br speciation varies with sediment depth, revealing biogeochemical cycling of Br between organic and inorganic forms as part of the burial and degradation of NOM. These findings illuminate the chemistry behind the association of Br with Corg in marine sediments and cast doubt on the paradigmatic classification of Br as a conservative element in seawater systems.

  20. Novel visible-light AgBr/Ag?PO? hybrids photocatalysts with surface plasma resonance effects

    SciTech Connect (OSTI)

    Wang, Yunfang Li, Xiuli; Wang, Yawen; Fan, Caimei

    2013-06-01

    Three kinds of AgBr/Ag?PO? hybrids were synthesised via an anion-exchange precipitation method and characterised by XRD, XPS, SEM, EDS, and UVvis. The results showed that AgBr/Ag?PO? hybrids displayed much higher photocatalytic activities than single Ag?PO? or AgBr under visible light (?>420 nm), and OH and h? were the major active species during the degradation process. Considering interstitial ions Ag?? on lattice gap of AgBr are easy to become sliver particle, we deduced the possible photocatalytic mechanism could be ascribed to the synergistic effects of the appropriate valence band position of Ag?PO? and AgBr, surface plasmon resonance effect of Ag?, reactive radical species Br?, and the Ag vacancy on the surface of catalysts. - Graphical abstract: The optical absorption and structural morphology of the as-prepared AgBr@Ag?PO? photocatalyst using an anion-exchange precipitation method are conductive to the photocatalytic degradation of organics in water. Highlights: Novel AgBr/Ag?PO? hybrids are synthesised by a facile method. AgBr/Ag?PO? hybrids show excellent photocatalytic activities under visible light. Interstitial ions are in favour of the formation of Ag particle. Surface plasmon resonance effect plays a key factor for light absorption. The photocatalytic mechanism for AgBr/Ag?PO? hybrids is studied.

  1. X-ray photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors

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

    Nelson, A. J.; Voss, L. F.; Beck, P. R.; Graff, R. T.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.; Lee, J. -S.; Kim, H.; Cirignano, L.; et al

    2013-01-12

    We subjected device-grade TlBr to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. As-polished TlBr was treated separately with HCl, SOCl2, Br:MeOH and HF solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p and S 2p core lines were used to evaluate surface chemistry and shallow heterojunction formation. Surface chemistry and valence band electronic structure were correlated with the goal of optimizing the long-term stability and radiation response.

  2. Apparatus for improving the working time of the XeBr laser

    DOE Patents [OSTI]

    Sander, Robert K.; Balog, George; Seegmiller, Emma T.

    1982-01-01

    In XeBr lasers which make use of HBr as the source of bromine, it has been found that the working life of the laser is limited because of dissociation of the HBr in the lasing region to form H.sub.2 and Br.sub.2. Accordingly, apparatus is disclosed for substantially improving the working time of the XeBr laser wherein means are provided for recombining H.sub.2 and Br.sub.2 into HBr and for continuously circulating the gaseous working medium from the lasing region through the recombination region. BACKGROUND OF THE INVENTION

  3. Apparatus for improving the working time of the XeBr laser

    DOE Patents [OSTI]

    Sander, R.K.; Balog, G.; Seegmiller, E.T.

    1980-03-04

    In XeBr lasers which make use of HBr as the source of bromine, it has been found that the working life of the laser is limited because of dissociation of the HBr in the lasing region to form H/sub 2/ and Br/sub 2/. Accordingly, apparatus is disclosed for substantially improving the working time of the XeBr laser wherein means are provided for recombining H/sub 2/ and Br/sub 2/ into HBr and for continuously circulating the gaseous working medium from the lasing region through the recombination region.

  4. Performance of LiAlloy/Ag(2)CrO(4) Couples in Molten CsBr-LiBr-KBr Eutectic

    SciTech Connect (OSTI)

    GUIDOTTI,RONALD A.; REINHARDT,FREDERICK W.

    1999-10-18

    The performance of Li-alloy/CsBr-LiBr-KBr/Ag{sub 2}CrO{sub 4} systems was studied over a temperature range of 250 C to 300 C, for possible use as a power source for geothermal borehole applications. Single cells were discharged at current densities of 15.8 and 32.6 mA/cm{sup 2} using Li-Si and Li-Al anodes. When tested in 5-cell batteries, the Li-Si/CsBr-LiBr-KBr/Ag{sub 2}CrO{sub 4} system exhibited thermal runaway. Thermal analytical tests showed that the Ag{sub 2}CrO{sub 4} cathode reacted exothermically with the electrolyte on activation. Consequently, this system would not be practical for the envisioned geothermal borehole applications.

  5. Results for aliovalent doping of CeBr{sub 3} with Ca{sup 2+}

    SciTech Connect (OSTI)

    Guss, Paul; Foster, Michael E.; Wong, Bryan M.; Patrick Doty, F.; Shah, Kanai; Squillante, Michael R.; Shirwadkar, Urmila; Hawrami, Rastgo; Tower, Joshua; Yuan, Ding

    2014-01-21

    Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr{sub 3}) and cerium-activated lanthanum tribromide, their commercial availability and application are limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. This investigation employed aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca{sup 2+}) was used as a dopant to strengthen CeBr{sub 3} without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca{sup 2+} dopant were grown, i.e., 1.9% of the CeBr{sub 3} molecules were replaced by CaBr{sub 2} molecules, to match our target replacement of 1 out of 54 cerium atoms be replaced by a calcium atom. Precisely the mixture was composed of 2.26 g of CaBr{sub 2} added to 222.14 g of CeBr{sub 3}. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca{sup 2+}-doped CeBr{sub 3} exhibited little or no change in the peak fluorescence emission for 371?nm optical excitation for CeBr{sub 3}. The structural, electronic, and optical properties of CeBr{sub 3} crystals were studied using the density functional theory within the generalized gradient approximation. Calculated lattice parameters are in agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr{sub 3}, including the dielectric function, were calculated.

  6. 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.

  7. Characterization of the LiSi/CsBr-LiBr-KBr/FeS(2) System for Potential Use as a Geothermal Borehole Power Source

    SciTech Connect (OSTI)

    GUIDOTTI, RONALD A.; REINHARDT, FREDERICK W.

    1999-10-18

    We are continuing to study the suitability of modified thermal-battery technology as a potential power source for geothermal borehole applications. Previous work focused on the LiSi/FeS{sub 2} couple over a temperature range of 350 C to 400 C with the LiBr-KBr-LiF eutectic, which melts at 324.5 C. In this work, the discharge processes that take place in LiSi/CsBr-LiBr-KBr eutectic/FeS{sub 2} thermal cells were studied at temperatures between 250 C and 400 C using pelletized cells with immobilized electrolyte. The CsBr-LiBr-KBr eutectic was selected because of its lower melting point (228.5 C). Incorporation of a quasi-reference electrode allowed the determination of the relative contribution of each electrode to the overall cell polarization. The results of single-cell tests and limited battery tests are presented, along with preliminary data for battery stacks tested in a simulated geothermal borehole environment.

  8. Studies on Ca2+-Doped CeBr3 Scintillating Materials

    SciTech Connect (OSTI)

    Guss, P. [NSTec; Foster, M. E. [SNL; Wong, B. M. [SNL; Doty, F. P. [SNL; Shah, K. [RMD; Squillante, M. [RMD; Glodo, J. [RMD; Yuan, D. [NSTec

    2013-07-03

    Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr3) and cerium-activated lanthanum tribromide (LaBr3:Ce), their commercial availability and application is limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. The objective of this investigation was to employ aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca2+) was investigated as a dopant to strengthen CeBr3 without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca2+ dopant were grown. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca2+-doped CeBr3 exhibited little or no change in the peak fluorescence emission for 371 nm optical excitation for CeBr3. The structural, electronic, and optical properties of CeBr3 crystals were investigated using the density functional theory within generalized gradient approximation. The calculated lattice parameters are in good agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr3, including the dielectric function, were calculated.

  9. Structure and properties of electronic and hole centers in CsBr from theoretical calculations

    SciTech Connect (OSTI)

    Halliday, Matthew T.; Hess, Wayne P.; Shluger, Alexander L.

    2015-06-24

    The electronic structure, geometry, diffusion barriers and optical properties of fundamental defects of CsBr are calculated using hybrid functional DFT and TD- DFT methods. The B3LYP functional with a modified exchange contribution has been used in an embedded cluster scheme to model the structure and spectroscopic properties of self-trapped triplet exciton, interstitial Br atoms and ions, self-trapped holes and Br vacancies. The calculated migration barriers and positions of maxima of optical absorption bands are in good agreement with experiment, justifying the obtained defect geometries. The o*-center triplet exciton luminescence energy is also accurately calculated.

  10. Measurement of the Ratio of Branching Fractions Br(Bs -> Ds- pi+)/Br(B -> D- pi+) at CDF-II

    SciTech Connect (OSTI)

    Furic, Ivan Kresimir; /MIT

    2004-03-01

    The measurement of B{sub s}{sup 0} mixing is one of the flagship analyses for the Run II B physics program. The sensitivity of the measurement to the frequency of B{sub s}{sup 0} oscillations strongly depends on the number of reconstructed B{sub s}{sup 0} mesons. They present the measurement of the ratio of branching fractions Br(B{sub s}{sup 0} {yields} D{sub s}{sup -}{pi}{sup +})/Br(B{sup 0} {yields} D{sup -}{pi}{sup +}), which directly influences the number of B{sub s}{sup 0} events available for the measurement of B{sub s}{sup 0} mixing at CDF-II. They analyze 115 pb{sup -1} of data collected with the CDF-II detector in p{bar p} collisions at {radical}s = 1.96 TeV using a novel displaced track trigger. They reconstruct 78 {+-} 11 B{sub s}{sup 0} {yields} D{sub s}{sup -}{pi}{sup +} decays at 1153 {+-} 45 B{sup 0} {yields} D{sup -}{pi}{sup +} decays with good signal to background ratio. This is the world's largest sample of fully reconstructed B{sub s}{sup 0} {yields} D{sub s}{sup -}{pi}{sup +} decays. They find the ratio of production fractions multiplied by the ratio of branching fractions to be: f{sub s}/f{sub d} {center_dot} Br(B{sub s}{sup 0} {yields} D{sub s}{sup -}{pi}{sup +})/Br(B{sup 0} {yields} D{sup -}{pi}{sup +}) = 0.325 {+-} 0.046(stat) {+-} 0.034(syst) {+-} 0.084 (BR). Using the world average value of f{sub s}/f{sub d} = 0.26 {+-} 0.03, we infer that the ratio of branching fractions is: Br(B{sub s}{sup 0} {yields} D{sub s}{sup -}{pi}{sup +})/Br(B{sup 0} {yields} D{sup -}{pi}{sup +}) = 1.25 {+-} 0.18(stat) {+-} 0.13(syst) {+-} 0.32(BR) {+-} 0.14(PR) where the last uncertainty is due to the uncertainty on the world average measurement of the ratio of B{sub s}{sup 0} to B{sup 0} production rates, f{sub s}/f{sub d}.

  11. Oxidation/Reduction Reactions at the Metal Contact-TlBr Interface...

    Office of Scientific and Technical Information (OSTI)

    Title: OxidationReduction Reactions at the Metal Contact-TlBr Interface: An X-ray Photoelectron Spectroscopy Study Authors: Nelson, A J ; Swanberg, E L ; Voss, L F ; Graff, R T ; ...

  12. LAKESHORE AVON BR ANT-EDEN ALD EN-LANC ASTER AU BURN W SH ELDON

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

    81 81 LAKESHORE AVON BR ANT-EDEN ALD EN-LANC ASTER AU BURN W SH ELDON CALEDONIA HURON C REEK LEIC EST ER COL DEN ASH FORD INDIAN FALLS LAWTONS SAR DINIA RPD-037 -2 ...

  13. Hydrogen for X-group exchange in CH3X, X = Cl, Br, I, OMe and...

    Office of Scientific and Technical Information (OSTI)

    Hydrogen for X-group exchange in CH3X, X Cl, Br, I, OMe and NMe2 byMonomeric ... Citation Details In-Document Search Title: Hydrogen for X-group exchange in CH3X, X Cl, ...

  14. Haskel/BuTech/PPI

    Broader source: Energy.gov [DOE]

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

  15. Guide to Developing Air-Cooled Lithium Bromide (LiBr) Absorption for CHP Applications, April 2005

    Office of Energy Efficiency and Renewable Energy (EERE)

    Development status of air-cooled lithium bromide (LiBr)-water absorption chillers for cooling, heating, and power (CHP) system applications in light-commercial buildings.

  16. Very fast doped LaBr.sub.3 scintillators and time-of-flight PET

    DOE Patents [OSTI]

    Shah, Kanai S.

    2006-10-31

    The present invention concerns very fast scintillator materials capable of resolving the position of an annihilation event within a portion of a human body cross-section. In one embodiment, the scintillator material comprises LaBr.sub.3 doped with cerium. Particular attention is drawn to LaBr.sub.3 doped with a quantity of Ce that is chosen for improving the timing properties, in particular the rise time and resultant timing resolution of the scintillator, and locational capabilities of the scintillator.

  17. CALiPER Application Summary Report 16. LED BR30 and R30 Lamps

    SciTech Connect (OSTI)

    none,

    2012-07-01

    This report analyzes the independently tested performance of 13 LED products labeled as BR30 or R30 lamps. The test results indicate substantial improvement versus earlier CALiPER testing of similar products, and performance comparable to recent data from LED Lighting Facts and ENERGY STAR.

  18. 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.

  19. AmeriFlux BR-Sa1 Santarem-Km67-Primary Forest

    SciTech Connect (OSTI)

    Saleska, Scott

    2016-01-01

    This is the AmeriFlux version of the carbon flux data for the site BR-Sa1 Santarem-Km67-Primary Forest. Site Description - The LBA Tapajos KM67 Mature Forest site is located in the Tapajos National Forest, a 450,000 ha closed-canopy upland forest in Amazonian Brazil. Bounded by the Tapajos River in the west and highway BR-163 to the east, the tower is located on a flat plateau (or planalto) that extends up to 150 km to the north, south, and east. Within the confines of the National Forest, anthropogenic disturbances are limited to a few small hunting trails. The surrounding stand is classified as primary or "old-growth"" predominantly by its uneven age distribution, emergent trees, numerous epiphytes and abundant large logs. In 2007 falling trees hit the tower guy wires rendering all instrumentation in-operational. After a complete restoration tower measurements resumed in August of 2008.

  20. Spectroscopic Evidence for a High-Spin Br-Fe(IV)-Oxo Intermediate in the

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

    alpha-Ketoglutarate-Dependent Halogenase CytC3 from Streptomyces Working title - Spectroscopic Evidence for a High-Spin Br-Fe(IV)-Oxo Intermediate in the alpha-Ketoglutarate-Dependent Halogenase CytC3 from Streptomyces There are over 4,500 known halogenated natural products. The presence of a halogen in the molecular framework tunes a compound's chemical reactivity or biological activity in these natural fungicides and antibiotics. Four classes of enzymes are now known to catalyze

  1. Investigation into Nanostructured Lanthanum Halides and CeBr{sub 3} for Nuclear Radiation Detection

    SciTech Connect (OSTI)

    Guss, P., Guise, R., Mukhopadhyay, S., Yuan, D.

    2011-06-22

    This slide-show presents work on radiation detection with nanostructured lanthanum halides and CeBr{sub 3}. The goal is to extend the gamma energy response on both low and high-energy regimes by demonstrating the ability to detect low-energy x-rays and relatively high-energy activation prompt gamma rays simultaneously using the nano-structured lanthanum bromide, lanthanum fluoride, cerium bromide, or other nanocrystal material. Homogeneous and nano structure cases are compared.

  2. Response of LaBr{sub 3}(Ce) scintillators to 2.5 MeV fusion neutrons

    SciTech Connect (OSTI)

    Cazzaniga, C.; Nocente, M.; Gorini, G.; Istituto di Fisica del Plasma, Associazione EURATOM-ENEA-CNR, Via Roberto Cozzi 53, Milano 20125 ; Tardocchi, M.; Croci, G.; Giacomelli, L.; Angelone, M.; Pillon, M.; Villari, S.; Weller, A.; Petrizzi, L.; Collaboration: ASDEX Upgrade Team; JET-EFDA Contributors

    2013-12-15

    Measurements of the response of LaBr{sub 3}(Ce) to 2.5 MeV neutrons have been carried out at the Frascati Neutron Generator and at tokamak facilities with deuterium plasmas. The observed spectrum has been interpreted by means of a Monte Carlo model. It is found that the main contributor to the measured response is neutron inelastic scattering on {sup 79}Br, {sup 81}Br, and {sup 139}La. An extrapolation of the count rate response to 14 MeV neutrons from deuterium-tritium plasmas is also presented. The results are of relevance for the design of ?-ray diagnostics of fusion burning plasmas.

  3. Characterization of low-melting electrolytes for potential geothermal borehole power supplies: The LiBr-KBr-LiF eutectic

    SciTech Connect (OSTI)

    Guidotti, R.A.; Reinhardt, F.W.

    1998-05-01

    The suitability of modified thermal-battery technology for use as a potential power source for geothermal borehole applications is under investigation. As a first step, the discharge processes that take place in LiSi/LiBr-KBr-LiF/FeS{sub 2} thermal cells were studied at temperatures of 350 C and 400 C using pelletized cells with immobilized electrolyte. Incorporation of a reference electrode allowed the relative contribution of each electrode to the overall cell polarization to be determined. The results of single-cell tests are presented, along with preliminary data for cells based on a lower-melting CsBr-LiBr-KBr eutectic salt.

  4. Optimization of electrode characteristics for the Br-2/H-2 redox flow cell

    SciTech Connect (OSTI)

    Tucker, MC; Cho, KT; Weber, AZ; Lin, GY; Nguyen, TV

    2014-10-17

    The Br-2/H-2 redox flow cell shows promise as a high-power, low-cost energy storage device. The effect of various aspects of material selection, processing, and assembly of electrodes on the operation, performance, and efficiency of the system is determined. In particular, (+) electrode thickness, cell compression, hydrogen pressure, and (-) electrode architecture are investigated. Increasing hydrogen pressure and depositing the (-) catalyst layer on the membrane instead of on the carbon paper backing layers have a large positive impact on performance, enabling a limiting current density above 2 A cm(-2) and a peak power density of 1.4 W cm(-2). Maximum energy efficiency of 79 % is achieved. In addition, the root cause of limiting-current behavior in this system is elucidated, where it is found that Br- reversibly adsorbs at the Pt (-) electrode for potentials exceeding a critical value, and the extent of Br- coverage is potential-dependent. This phenomenon limits maximum cell current density and must be addressed in system modeling and design. These findings are expected to lower system cost and enable higher efficiency.

  5. Laser cooling of MgCl and MgBr in theoretical approach

    SciTech Connect (OSTI)

    Wan, Mingjie; Shao, Juxiang; Huang, Duohui; Yang, Junsheng; Cao, Qilong; Jin, Chengguo; Wang, Fanhou; Gao, Yufeng

    2015-07-14

    Ab initio calculations for three low-lying electronic states (X{sup 2}Σ{sup +}, A{sup 2}Π, and 2{sup 2}Π) of MgCl and MgBr molecules, including spin-orbit coupling, are performed using multi-reference configuration interaction plus Davidson correction method. The calculations involve all-electronic basis sets and Douglas–Kroll scalar relativistic correction. Spectroscopic parameters well agree with available theoretical and experimental data. Highly diagonally distributed Franck-Condon factors f{sub 00} for A{sup 2}Π{sub 3/2,1/2} (υ′ = 0) → X{sup 2}Σ{sup +}{sub 1/2} (υ″ = 0) are determined for both MgCl and MgBr molecules. Suitable radiative lifetimes τ of A{sup 2}Π{sub 3/2,1/2} (υ′ = 0) states for rapid laser cooling are also obtained. The proposed laser drives A{sup 2}Π{sub 3/2} (υ′ = 0) → X{sup 2}Σ{sup +}{sub 1/2} (υ″ = 0) transition by using three wavelengths (main pump laser λ{sub 00}; two repumping lasers λ{sub 10} and λ{sub 21}). These results indicate the probability of laser cooling MgCl and MgBr molecules.

  6. Closed-cage (fullerene-like) structures of NiBr{sub 2}

    SciTech Connect (OSTI)

    Bar-Sadan, M.; Popovitz-Biro, R.; Prior, Yehiam; Tenne, R. . E-mail: reshef.tenne@weizmann.ac.il

    2006-11-09

    It is well accepted by now that nanoparticles of inorganic layered compounds form closed-cage structures (IF). In particular closed-cage nanoparticles of metal dihalides, like NiCl{sub 2}, CdCl{sub 2} and CdI{sub 2} were shown to produce such structures in the past. In the present report IF-NiBr{sub 2} polyhedra and quasi-spherical structures were obtained by the evaporation/recrystallization technique as well as by laser ablation. When the nanoclusters were formed in humid atmosphere, nickel perbromate hydrate [Ni(BrO{sub 4}){sub 2}(H{sub 2}O){sub 6}] polyhedra and short tubules were produced, as a result of a reaction with water. Nanooctahedra of NiBr{sub 2} were found occasionally in the irradiated soot. The reoccurrence of this structure in the IF family suggests that it is a generic one. Consistent with previous observations, this study showed that formation of the IF materials stabilized the material under the electron-beam irradiation. The growth mechanism of these nanostructures is briefly discussed.

  7. A modified Stillinger-Weber potential for TlBr and its polymorphic extension

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

    Zhou, Xiaowang; Foster, Michael E.; Jones, Reese E.; Doty, F. Patrick; Yang, Pin; Fan, Hongyou

    2015-04-30

    TlBr is promising for g- and x- radiation detection, but suffers from rapid performance degradation under the operating external electric fields. To enable molecular dynamics (MD) studies of this degradation, we have developed a Stillinger-Weber type of TlBr interatomic potential. During this process, we have also addressed two problems of wider interests. First, the conventional Stillinger-Weber potential format is only applicable for tetrahedral structures (e.g., diamond-cubic, zinc-blende, or wurtzite). Here we have modified the analytical functions of the Stillinger-Weber potential so that it can now be used for other crystal structures. Second, past modifications of interatomic potentials cannot always bemore » applied by a broad community because any new analytical functions of the potential would require corresponding changes in the molecular dynamics codes. Here we have developed a polymorphic potential model that simultaneously incorporates Stillinger-Weber, Tersoff, embedded-atom method, and any variations (i.e., modified functions) of these potentials. As a result, we have implemented this polymorphic model in MD code LAMMPS, and demonstrated that our TlBr potential enables stable MD simulations under external electric fields.« less

  8. Optimization of electrode characteristics for the Br?/H? redox flow cell

    SciTech Connect (OSTI)

    Tucker, Michael C.; Cho, Kyu Taek; Weber, Adam Z.; Lin, Guangyu; Van Nguyen, Trung

    2015-01-01

    The Br?/H? redox flow cell shows promise as a high-power, low-cost energy storage device. The effect of various aspects of material selection, processing, and assembly of electrodes on the operation, performance, and efficiency of the system is determined. In particular, (+) electrode thickness, cell compression, hydrogen pressure, and () electrode architecture are investigated. Increasing hydrogen pressure and depositing the () catalyst layer on the membrane instead of on the carbon-paper backing layers have a large positive impact on performance, enabling a limiting current density above 2 A cm-2 and a peak power density of 1.4 W cm-2. Maximum energy efficiency of 79% is achieved. In addition, the root cause of limiting-current behavior in this system is elucidated, where it is found that Br- reversibly adsorbs at the Pt () electrode for potentials exceeding a critical value, and the extent of Br- coverage is potential-dependent. This phenomenon limits maximum cell current density and must be addressed in system modeling and design. These findings are expected to lower system cost and enable higher efficiency.

  9. A modified Stillinger-Weber potential for TlBr and its polymorphic extension

    SciTech Connect (OSTI)

    Zhou, Xiaowang; Foster, Michael E.; Jones, Reese E.; Doty, F. Patrick; Yang, Pin; Fan, Hongyou

    2015-04-30

    TlBr is promising for g- and x- radiation detection, but suffers from rapid performance degradation under the operating external electric fields. To enable molecular dynamics (MD) studies of this degradation, we have developed a Stillinger-Weber type of TlBr interatomic potential. During this process, we have also addressed two problems of wider interests. First, the conventional Stillinger-Weber potential format is only applicable for tetrahedral structures (e.g., diamond-cubic, zinc-blende, or wurtzite). Here we have modified the analytical functions of the Stillinger-Weber potential so that it can now be used for other crystal structures. Second, past modifications of interatomic potentials cannot always be applied by a broad community because any new analytical functions of the potential would require corresponding changes in the molecular dynamics codes. Here we have developed a polymorphic potential model that simultaneously incorporates Stillinger-Weber, Tersoff, embedded-atom method, and any variations (i.e., modified functions) of these potentials. As a result, we have implemented this polymorphic model in MD code LAMMPS, and demonstrated that our TlBr potential enables stable MD simulations under external electric fields.

  10. Re-evaluation of the eutectic region of the LiBr-KBr-LiF system

    SciTech Connect (OSTI)

    Redey, L.; Guidotti, R.A.

    1996-05-01

    The separator pellet in a thermal battery consists of electrolyte immobilized by a binder (typically, MgO powder). The melting point of the electrolyte determines the effective operating window for its use in a thermal battery. The development of a two-hour thermal battery required the use of a molten salt that had a lower melting point and larger liquidus range than the LiCl-KCl eutectic which melts at 352 C. Several candidate eutectic electrolyte systems were evaluated for their suitability for this application. One was the LiCl-LiBr-KBr eutectic used at Argonne National Laboratories for high-temperature rechargeable batteries for electric-vehicle applications. Using a custom-designed high-temperature conductivity cell, the authors were able to readily determine the liquidus region for the various compositions studied around the original eutectic for the LiBr-KBr-LiF system. The actual eutectic composition was found to be 60.0 m/o LiBr-37.5 m/o KBr-2.5 m/o LiF with a melting point of 324 {+-} 0.5 C.

  11. Geothermal br Resource br Area Geothermal br Resource br Area...

    Open Energy Info (EERE)

    Aluto Langano Geothermal Area Aluto Langano Geothermal Area East African Rift System Ethiopian Rift Valley Major Normal Fault Basalt MW K Amatitlan Geothermal Area Amatitlan...

  12. Measurement of ratio R = (BR(D{sup 0}{yields}K{pi}{pi}{pi})/BR(D{sup 0}{yields}K{pi})) in {pi}{sup -}-Nucleus interactions at 500 GeV/c

    SciTech Connect (OSTI)

    Solano Salinas, C. J.; Paucarchuco, C.; Fernandez, A.; Sheaff, M.

    2007-10-26

    We report a very preliminary result on the measurement of the ratio of branching ratios, for two decays D{sup 0} meson, R = (BR(D{sup 0}{yields}K{pi}{pi}{pi})/BR(D{sup 0}{yields}K{pi})), using data from the E791 experiment. We find R = 1.96{+-}0.0286 (stat){+-}0.06 (sys). This is in agreement with and of similar precision to the current PDG average value 1.97{+-}0.09.

  13. AmeriFlux US-Br1 Brooks Field Site 10- Ames

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

    Parkin, Tim [USDA; Prueger, John [National Laboratory for Agriculture and the Environment

    2016-01-01

    This is the AmeriFlux version of the carbon flux data for the site US-Br1 Brooks Field Site 10- Ames. Site Description - The Brooks Field Site 10 - Ames Site is one of three sites (Brooks Field Site 11 and Brooks Field Site 1011) located in a corn/soybean agricultural landscape of central Iowa. The farming systems, associated tillage, and nutrient management practices for soybean/corn production are typical of those throughout Upper Midwest Corn Belt. All three sites are members of the AmeriFlux network. Information for all three can be found in synchronous pages of this website.

  14. AmeriFlux US-Br3 Brooks Field Site 11- Ames

    SciTech Connect (OSTI)

    Parkin, Tim; Prueger, John

    2016-01-01

    This is the AmeriFlux version of the carbon flux data for the site US-Br3 Brooks Field Site 11- Ames. Site Description - The Brooks Field Site 11 - Ames Site is one of three sites (Brooks Field Site 10 and Brooks Field Site 1011) located in a corn/soybean agricultural landscape of central Iowa. The farming systems, associated tillage, and nutrient management practices for soybean/corn production are typical of those throughout Upper Midwest Corn Belt. All three sites are members of the AmeriFlux network. Information for all three can be found in synchronous pages of this website.

  15. Br-rich Tips of Calcified Crab Claws are Less Hard but More Fracture

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

    Resistant: A Comparison of Mineralized and Heavy-element Biological Materials Br-rich Tips of Calcified Crab Claws are Less Hard but More Fracture Resistant: A Comparison of Mineralized and Heavy-element Biological Materials figure 1 Figure 1. The heavy element biomaterial is the darker material at the tip of the shore crab claws. Figure "b" shows the same claw as "a" but after bead blasting. The claw tips are less eroded by the bead blasting than surrounding calcified

  16. Fuel loading of PeBR for a long operation life on the lunar surface

    SciTech Connect (OSTI)

    Schriener, T. M.; El-Genk, M. S.

    2012-07-01

    The Pellet Bed Reactor (PeBR) power system could provide 99.3 kW e to a lunar outpost for 66 full power years and is designed for no single point failures. The core of this fast energy spectrum reactor consists of three sectors that are neutronically and thermally coupled, but hydraulically independent. Each sector has a separate Closed Brayton Cycle (CBC) loop for energy conversion and separate water heat-pipes radiator panels for heat rejection. He-Xe (40 g/mole) binary gas mixture serves as the reactor coolant and CBC working fluid. On the lunar surface, the emplaced PeBR below grade is loaded with spherical fuel pellets (1-cm in dia.). It is launched unfueled and the pellets are launched in separate subcritical canisters, one for each core sector. This paper numerically simulates the transient loading of a core sector with fuel pellets on the Moon. The simulation accounts for the dynamic interaction of the pellets during loading and calculates the axial and radial distributions of the volume porosity in the sector. The pellets pack randomly with a volume porosity of 0.39 - 0.41 throughout most of the sector, except near the walls the local porosity is higher. (authors)

  17. High temperature crystal structures and superionic properties of SrCl{sub 2}, SrBr{sub 2}, BaCl{sub 2} and BaBr{sub 2}

    SciTech Connect (OSTI)

    Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.

    2011-11-15

    The structural properties of the binary alkaline-earth halides SrCl{sub 2}, SrBr{sub 2}, BaCl{sub 2} and BaBr{sub 2} have been investigated from ambient temperature up to close to their melting points, using the neutron powder diffraction technique. Fluorite-structured SrCl{sub 2} undergoes a gradual transition to a superionic phase at 900-1100 K, characterised by an increasing concentration of anion Frenkel defects. At a temperature of 920(3) K, the tetragonal phase of SrBr{sub 2} undergoes a first-order transition to a cubic fluorite phase. This high temperature phase shows the presence of extensive disorder within the anion sublattice, which differs from that found in superionic SrCl{sub 2}. BaCl{sub 2} and BaBr{sub 2} both adopt the cotunnite crystal structure under ambient conditions. BaCl{sub 2} undergoes a first-order structural transition at 917(5) K to a disordered fluorite-structured phase. The relationship between the (disordered) crystal structures and the ionic conductivity behaviour is discussed and the influence of the size of the mobile anion on the superionic behaviour is explored. - Graphical abstract: Anomalous behaviour of the lattice expansion of SrCl{sub 2} at temperatures of {approx}1000 K is associated with the gradual transition to a superionic phase, whilst SrBr{sub 2} undergoes a first-order structural transition ({beta}{yields}{alpha}) to a fluorite-structured superionic phase at 920(3) K. Highlights: > Anomalous behaviour of the lattice expansion of SrCl{sub 2} occurs at temperatures {approx}1000 K. > Crystal structure of {beta}-SrBr{sub 2} is described in detail. > On heating, SrBr{sub 2} and BaCl{sub 2} transform to a fluorite-structured superionic phase. > Temperature dependence of the BaCl{sub 2} and BaBr{sub 2} structures is presented. > Nature of the superionic phases within the alkaline-earth halides is discussed.

  18. Infrared fluorescence studies of electronic-to-vibrational energy transfer in a Br2:NO system. Master's thesis

    SciTech Connect (OSTI)

    Hawks, M.R.

    1993-12-01

    Steady-state photolysis techniques were used to study electronic-to-vibrational energy transfer mechanisms from atomic bromine to nitric oxide. Molecular bromine was photodissociated by 488nm radiation to produce equal parts Br(2p(sub 1/2)) and Br(2p (sub 3/2)). Side fluorescence intensity from Br(2p (sub 1/2)) at 2.7 microns and from NO (v =1) and 2 around 5.3 microns measured as a function of bromine pressure and nitric oxide pressure. The branching ratio collisional transfer into the first and second states of NO was determined, and previously reported rates for quenching of NO by molecular bromine were verified. Nitric oxide, Bromine, E-V transfer, Infrared fluorescence, Photolysis.

  19. Molecular Characterization of Brown Carbon (BrC) Chromophores in Secondary Organic Aerosol Generated From Photo-Oxidation of Toluene

    SciTech Connect (OSTI)

    Lin, Peng; Liu, Jiumeng; Shilling, John E.; Kathmann, Shawn M.; Laskin, Julia; Laskin, Alexander

    2015-09-28

    Atmospheric Brown carbon (BrC) is a significant contributor to light absorption and climate forcing. However, little is known about a fundamental relationship between the chemical composition of BrC and its optical properties. In this work, light-absorbing secondary organic aerosol (SOA) was generated in the PNNL chamber from toluene photo-oxidation in the presence of NOx (Tol-SOA). Molecular structures of BrC components were examined using nanospray desorption electrospray ionization (nano-DESI) and liquid chromatography (LC) combined with UV/Vis spectroscopy and electrospray ionization (ESI) high-resolution mass spectrometry (HRMS). The chemical composition of BrC chromophores and the light absorption properties of toluene SOA (Tol-SOA) depend strongly on the initial NOx concentration. Specifically, Tol-SOA generated under high-NOx conditions (defined here as initial NOx/toluene of 5/1) appears yellow and mass absorption coefficient of the bulk sample (MACbulk@365nm = 0.78 m2 g-1) is nearly 80 fold higher than that measured for the Tol-SOA sample generated under low-NOx conditions (NOx/toluene < 1/300). Fifteen compounds, most of which are nitrophenols, are identified as major BrC chromophores responsible for the enhanced light absorption of Tol-SOA material produced in the presence of NOx. The integrated absorbance of these fifteen chromophores accounts for 40-60% of the total light absorbance by Tol-SOA at wavelengths between 300 nm and 500 nm. The combination of tandem LC-UV/Vis-ESI/HRMS measurements provides an analytical platform for predictive understanding of light absorption properties by BrC and their relationship to the structure of individual chromophores. General trends in the UV/vis absorption by plausible isomers of the BrC chromophores were evaluated using theoretical chemistry calculations. The molecular-level understanding of BrC chemistry is helpful for better understanding the evolution and behavior of light absorbing aerosols in the atmosphere.

  20. LiCl Dehumidifier LiBr absorption chiller hybrid air conditioning system with energy recovery

    DOE Patents [OSTI]

    Ko, Suk M.

    1980-01-01

    This invention relates to a hybrid air conditioning system that combines a solar powered LiCl dehumidifier with a LiBr absorption chiller. The desiccant dehumidifier removes the latent load by absorbing moisture from the air, and the sensible load is removed by the absorption chiller. The desiccant dehumidifier is coupled to a regenerator and the desiccant in the regenerator is heated by solar heated hot water to drive the moisture therefrom before being fed back to the dehumidifier. The heat of vaporization expended in the desiccant regenerator is recovered and used to partially preheat the driving fluid of the absorption chiller, thus substantially improving the overall COP of the hybrid system.

  1. X-ray-absorption study of CuBr at high pressure

    SciTech Connect (OSTI)

    Tranquada, J.M.; Ingalls, R.

    1986-09-15

    The x-ray-absorption spectrum of cuprous bromide has been measured as a function of pressure. The x-ray-absorption near-edge structure proved to be an excellent indicator of high-pressure phase transitions in this material. The normalized ''white-line'' peak heights at both the Cu and Br K-italic edges decreased on entering the tetragonal phase and increased in going to the NaCl structure. The zinc-blende to tetragonal phase transition took place over a very narrow pressure range centered at 46 +- 5 kbar. The transformation from the tetragonal to the NaCl structure, on the other hand, showed a broad mixed-phase region, suggesting a nucleation-and-growth mechanism for the transition. The mixed-phase region was centered at 75 +- 6 kbar. No evidence of a phase between the zinc-blende and tetragonal phases was observed, presumably because it does not exist. Analysis of the extended x-ray-absorption fine-structure (EXAFS) clearly showed that there is no change in coordination in going from the zinc-blende to the tetragonal phase although the nearest-neighbor distance increases slightly. A much larger increase in R-italic/sub 1/ occurs at the transition to the NaCl structure, where the coordination increases from 4 to 6. The mean-square deviation in the nearest-neighbor bond length, sigma/sub 1//sup 2/, appears to be a fairly smooth function of nearest-neighbor distance, decreasing (or increasing) as R-italic/sub 1/ decreases (or increases) more or less independent of structure. Evidence from the literature was presented to suggest that the zinc-blende to tetragonal transition in CuBr (and also CuCl) should occur by shear deformation.

  2. Synthesis, crystal structure, spectroscopic and thermal properties of [Et{sub 4}N][Ta{sub 6}Br{sub 12}(H{sub 2}O){sub 6}]Br{sub 4}.4H{sub 2}O (Et=ethyl)-A new compound with the paramagnetic [Ta{sub 6}Br{sub 12}]{sup 3+} cluster core

    SciTech Connect (OSTI)

    Peric, Berislav; Jozic, Drazan; Planinic, Pavica; Brnicevic, Nevenka; Giester, Gerald

    2009-09-15

    A new hexanuclear cluster compound, [Et{sub 4}N][Ta{sub 6}Br{sub 12}(H{sub 2}O){sub 6}]Br{sub 4}.4H{sub 2}O (Et=ethyl) (1), with the paramagnetic [Ta{sub 6}Br{sub 12}]{sup 3+} cluster entity, was synthesized and characterized by elemental and TG/DTA analyses, IR and UV/Vis spectroscopy and by a single-crystal X-ray diffraction study. The presence of the paramagnetic [Ta{sub 6}Br{sub 12}]{sup 3+} unit was confirmed also by the room-temperature magnetic and EPR measurements. The compound crystallizes in the tetragonal I4{sub 1}/a space group, with a=14.299(5), c=21.241(5) A, Z=4, R{sub 1}(F)/wR{sub 2}(F{sup 2})=0.0296/0.0811. The structure contains discrete [Ta{sub 6}Br{sub 12}(H{sub 2}O){sub 6}]{sup 3+} cations with an octahedron of metal atoms edge-bridged by bromine atoms and with water molecules occupying all six terminal positions. The cluster units are positioned in the vertices of the three-dimensional (pseudo)diamond lattice. The structure shows similarities with literature reported structures of cluster compounds crystallizing in the diamond (Fd3-barm) space group. - Graphical abstract: Two interpenetrating (pseudo)diamond nets formed by packing of the paramagnetic [Ta{sub 6}Br{sub 12}(H{sub 2}O)]{sup 3+} (octahedral) and diamagnetic [Et{sub 4}N]{sup +} (spheres) cations.

  3. 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.

  4. Ultrafast dynamics of strong-field dissociative ionization ofCH2Br2 probed by femtosecond soft x-ray transient absorptionspectroscopy

    SciTech Connect (OSTI)

    Loh, Zhi-Heng; Leone, Stephen R.

    2008-01-15

    Femtosecond time-resolved soft x-ray transient absorption spectroscopy based on a high-order harmonic generation source is used to investigate the dissociative ionization of CH{sub 2}Br{sub 2} induced by 800 nm strong-field irradiation. At moderate peak intensities (2.0 x 10{sup 14} W/cm{sup 2}), strong-field ionization is accompanied by ultrafast C-Br bond dissociation, producing both neutral Br ({sup 2}P{sub 3/2}) and Br* ({sup 2}P{sub 1/2}) atoms together with the CH{sub 2}Br{sup +} fragment ion. The measured rise times for Br and Br* are 130 {+-} 22 fs and 74 {+-} 10 fs, respectively. The atomic bromine quantum state distribution shows that the Br/Br* population ratio is 8.1 {+-} 3.8 and that the Br {sup 2}P{sub 3/2} state is not aligned. The observed product distribution and the timescales of the photofragment appearances suggest that multiple field-dressed potential energy surfaces are involved in the dissociative ionization process. In addition, the transient absorption spectrum of CH{sub 2}Br{sub 2}{sup +} suggests that the alignment of the molecule relative to the polarization axis of the strong-field ionizing pulse determines the electronic symmetry of the resulting ion; alignment of the Br-Br, H-H, and C{sub 2} axis of the molecule along the polarization axis results in the production of the ion {tilde X}({sup 2}B{sub 2}), {tilde B}({sup 2}B{sub 1}) and {tilde C}({sup 2}A{sub 1}) states, respectively. At higher peak intensities (6.2 x 10{sup 14} W/cm{sup 2}), CH{sub 2}Br{sub 2}{sup +} undergoes sequential ionization to form the metastable CH{sub 2}Br{sub 2}{sup 2+} dication. These results demonstrate the potential of core-level probing with high-order harmonic transient absorption spectroscopy for studying ultrafast molecular dynamics.

  5. Evaluation of production samples of the scintillators LaBr3:Ce andLaCl3:Ce

    SciTech Connect (OSTI)

    Choong, Woon-Seng; Derenzo, Stephen E.; Moses, William W.

    2005-09-15

    We report on the evaluation of the performance of two recently developed scintillator materials, LaCl{sub 3}:Ce and LaBr{sub 3}:Ce, at the task of gamma ray spectroscopy. Their performance is compared to a standard scintillator used for gamma ray spectroscopy--a 25 mm diameter 25 mm tall cylinder of NaI:Tl. We measure the pulse height, energy resolution, and full-energy efficiency of production LaBr{sub 3}:Ce and LaCl{sub 3}:Ce scintillation crystals of different sizes and geometries for a variety of gamma-ray energies. Using production rather than specially selected crystals will establish whether immediate large-scale use is feasible. The crystal is excited by gamma rays from one of six isotopic sources ({sup 125}I, {sup 241}Am, {sup 57}Co, {sup 22}Na, {sup 137}Cs, and {sup 60}Co) placed 15 cm away from the scintillator. Our measurements show that both LaCl{sub 3} and LaBr{sub 3} outperform NaI:Tl in almost all cases. They outperform NaI:Tl at all energies for the photopeak fraction and counting rate measurements, and for energy resolution at higher energies (above 200 keV for LaCl{sub 3} and 75 keV for LaBr{sub 3}). The performance of production crystals is excellent and these scintillators should be considered for immediate use in systems where stopping power and energy resolution are crucial.

  6. Electrodeposition of zinc on glassy carbon from ZnCl/sub 2/ and ZnBr/sub 2/ electrolytes

    SciTech Connect (OSTI)

    McBreen, J.; Gannon, E.

    1983-08-01

    The initial stages of the electrocrystallization of zinc from 3M ZnCl/sub 2/ and 3M ZnBr/sub 2/ on glassy carbon has been investigated using cyclic voltametry, the potential step method, and scanning electron microscopy. Particular care was taken to ensure electrolyte purity and to eliminate resistance effects in the measurements. The nucleation overvoltage in 3M ZnCl/sub 2/ was about 17 and about 12 mV in 3M ZnBr/sub 2/. In 3M ZnCl/sub 2/, the current transients from the potential step measurements could be fitted to a simple model that assumes instantaneous nucleation followed by growth of three dimensional centers under kinetic control. A similar mechanism is operative for 3M ZnBr/sub 2/ at low overvoltages. At higher overvoltages, the current transient is governed by mixed kinetic and diffusion control and cannot be fitted to a simple model. The lower nucleation overvoltage and the faster kinetics in 3M ZnBr/sub 2/ is correlated with the lower stability constants for the zinc bromide complexes. Erroneous results are obtained when resistance effects are not accounted for.

  7. A XANES and EXAFS Study of Hydration and Ion Pairing in Ambient Aqueous MnBr[subscript 2] Solutions

    SciTech Connect (OSTI)

    Chen, Yongsheng; Fulton, John L.; Partenheimer, Walter

    2008-09-25

    Extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) spectroscopies were used to probe the first-shell coordination structure of Mn(II) in aqueous MnBr{sub 2} solutions at ambient conditions from very dilute to the near saturation limit. The Mn K-edge EXAFS spectra for 0.05 and 0.2 m solutions showed that there was no Br(-I) in the first shell, and that the Mn(II) was fully hydrated with six water molecules in an octahedral arrangement. In contrast, for 6 m solution, the coordination number of water was reduced to about 5, and an average of about one bromine atom was present in the first shell as a contact ion pair. The 1s {yields} 4p transition at 6545.5 eV confirmed the observation of Mn-Br contact ion pairs at high concentrations and the 1s {yields} 3d transition at 6539.5 eV showed that the first shell coordination symmetry remained octahedral even in the presence of Mn-Br ion pairs.

  8. Ag/AgBr/g-C{sub 3}N{sub 4}: A highly efficient and stable composite photocatalyst for degradation of organic contaminants under visible light

    SciTech Connect (OSTI)

    Cao, Jing; Zhao, Yijie; Lin, Haili; Xu, Benyan; Chen, Shifu

    2013-10-15

    Graphical abstract: Ag/AgBr/g-C{sub 3}N{sub 4} composite photocatalysts displayed excellent photocatalytic activities on the degradation of methyl orange (MO) under visible light. The improved photocatalytic performance and stability of Ag/AgBr/g-C{sub 3}N{sub 4} originated from the synergetic effects of AgBr/g-C{sub 3}N{sub 4} interface and metallic Ag nanoparticles. O{sub 2}?, one of the reactive species, was responsible for the photodegradation of MO compared to H+ and OH. - Highlights: Novel Ag/AgBr/g-C{sub 3}N{sub 4} composite photocatalyst was reported. Ag/AgBr/g-C{sub 3}N{sub 4} had novel energy band combination between AgBr and g-C{sub 3}N{sub 4}. Synergetic effects of AgBr/g-C{sub 3}N{sub 4} interface and metallic Ag nanoparticles. Electron trapping role of metallic Ag dominated the stability of Ag/AgBr/g-C{sub 3}N{sub 4}. - Abstract: Novel Ag/AgBr/g-C{sub 3}N{sub 4} composite photocatalysts were constructed via depositionprecipitation method and extensively characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM) and UVvis diffuse reflectance spectroscopy (DRS). Under visible light (? > 420 nm), Ag/AgBr/g-C{sub 3}N{sub 4} composite photocatalysts displayed much higher photocatalytic activities than those of Ag/AgBr and g-C{sub 3}N{sub 4} for degradation of methyl orange (MO). 50% Ag/AgBr/g-C{sub 3}N{sub 4} presented the best photocatalytic performance, which was mainly attributed to the synergistic effects of AgBr/g-C{sub 3}N{sub 4} interface and the in situ metallic Ag nanoparticles for efficiently separating electronhole pairs. Furthermore, Ag/AgBr/g-C{sub 3}N{sub 4} remained good photocatalytic activity through 5 times of cycle experiments. Additionally, the radical scavengers experiment indicated that O{sub 2}{sup ?} was the main reactive species for the MO degradation under visible light.

  9. Synthesis and photocatalytic performance of an efficient Ag@AgBr/K{sub 2}Ti{sub 4}O{sub 9} composite photocatalyst under visible light

    SciTech Connect (OSTI)

    Liang, Yinghua; Lin, Shuanglong; Liu, Li; Hu, Jinshan; Cui, Wenquan

    2014-08-15

    Highlights: The plasmatic Ag@AgBr sensitized K{sub 2}Ti{sub 4}O{sub 9} composite photocatalysts. Ag@AgBr greatly increased visible light absorption for K{sub 2}Ti{sub 4}O{sub 9}. The plamonic photocatalysts exhibited enhanced activity for the degradation of RhB. - Abstract: Ag@AgBr nanoparticle-sensitized K{sub 2}Ti{sub 4}O{sub 9} composite photocatalysts (Ag@AgBr/K{sub 2}Ti{sub 4}O{sub 9}) were prepared by a facile precipitationphotoreduction method. The photocatalytic activities of the Ag@AgBr/K{sub 2}Ti{sub 4}O{sub 9} nanocomposites were evaluated for photocatalytic degradation of (RhB) under visible light irradiation. The composites exhibited excellent visible light absorption, which was attributable to the surface plasmon effect of Ag nanoparticles. The Ag@AgBr was uniformly scattered on the surface of K{sub 2}Ti{sub 4}O{sub 9} and possessed sizes in the range of 2050 nm. The loading amount of Ag@AgBr was also studied, and was found to influence the absorption spectra of the resulting composites. Approximately 95.9% of RhB was degraded by Ag@AgBr (20 wt.%)/K{sub 2}Ti{sub 4}O{sub 9} after irradiation for 1 h. The stability of the material was also investigated by performing consecutive runs. Additionally, studies performed using radical scavengers indicated that O{sub 2}{sup ?} and Br{sup 0} acted as the main reactive species. Based on the experimental results, a photocatalytic mechanism for organics degradation over Ag@AgBr/K{sub 2}Ti{sub 4}O{sub 9} photocatalysts was proposed.

  10. 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.

  11. Photoluminescence characteristics of polariton condensation in a CuBr microcavity

    SciTech Connect (OSTI)

    Nakayama, Masaaki Murakami, Katsuya; Furukawa, Yoshiaki; Kim, DaeGwi

    2014-07-14

    We have investigated the photoluminescence (PL) properties of a CuBr microcavity at 10?K, including the temporal profiles, from the viewpoint of cavity-polariton condensation. The excitation energy density dependence of the PL intensity (band width) of the lower polariton branch at an in-plane wave vector of k{sub //}?=?0 exhibits a threshold-like increase (decrease). A large blueshift in the PL energy of ?10?meV caused by the cavity-polariton renormalization is correlated with the excitation energy density dependence of the PL intensity. The estimated density of photogenerated electron-hole pairs at the threshold is two orders lower than the Mott transition density. These results consistently demonstrate the occurrence of cavity-polariton condensation. In addition, we found that the PL rise and decay times are shortened dramatically by the cavity-polariton condensation, which reflects the bosonic final state stimulation in the relaxation process and the intrinsic cavity-polariton lifetime in the decay process.

  12. Direct molecular diffusion and micro-mixing for rapid dewatering of LiBr solution

    SciTech Connect (OSTI)

    Bigham, S; Isfahani, RN; Moghaddam, S

    2014-03-01

    A slow molecular diffusion rate often limits the desorption process of an absorbate molecule from a liquid absorbent. To enhance the desorption rate, the absorbent is often boiled to increase the liquid vapor interfacial area. However, the growth of bubbles generated during the nucleate boiling process still remains mass-diffusion limited. Here, it is shown that a desorption rate higher than that of boiling can be achieved, if the vapor absorbent interface is continuously replenished with the absorbate-rich solution to limit the concentration boundary layer growth. The study is conducted in a LiBr-water-solution, in which the water molecules' diffusion rate is quite slow. The manipulation of the vapor solution interface concentration distribution is enabled by the mechanical confinement of the solution flow within microchannels, using a hydrophobic vapor-venting membrane and the implementation of microstructures on the flow channel's bottom wall. The microstructures stretch and fold the laminar streamlines within the solution film and produce vortices. The vortices continuously replace the concentrated solution at the vapor solution interface with the water-rich solution brought from the bottom and middle of the flow channel. The physics of the process is described using a combination of experimental and numerical studies. Published by Elsevier Ltd.

  13. The corrosion phenomena in the coin cell BR2325 of the ``superstoichiometric fluorocarbon-lithium'' system

    SciTech Connect (OSTI)

    Mitkin, V.N.; Galkin, P.S.; Denisova, T.N.

    1998-07-01

    It was noted at the earlier study and at the longer observations of the novel various types of superstoichiometric fluorocarbon materials CF{sub 1+x}, where x = 0.1--0.33 (FCM) and their behavior, that despite of their known hygroscopity during a storage of samples in laboratory and technological utensils nevertheless occurs an appreciable sorption of atmospheric moisture. The color of samples does not change but sometimes there appears a smell of hydrogen fluoride and even corrosion of glasswares at a long storage. On the basis of these facts was assumed that at a long storage the slow reactions of HF producing with a sorption moisture can proceed. This phenomena is necessary to take into account for successful manufacturing of long life lithium cells based on superstoichiometric fluorocarbon composite cathodes (FCC). The chemistry of such slow hydrolytic process and especially of processes which can proceed at manufacturing of FCC earlier was not investigated also of any data in the literature in this occasion is not present. Just for this reason the authors undertook a study of the corrosion phenomena which can proceed in industrial sources of a current at a long storage under influence of slow hydrolysis of C-F bonds by moisture. The goal of the study was to search long term damages in the slightly wet FCM and based on these materials cathodic composites for fluorocarbon-lithium cells. As a model for corrosion process investigation they have chosen a standard coin lithium battery of a type BR2325.

  14. Viscosity and density of aqueous solutions of LiBr, LiCl, ZnBr[sub 2], CaCl[sub 2], and LiNO[sub 3]; 1: Single salt solutions

    SciTech Connect (OSTI)

    Wimby, J.M.; Berntsson, T.S. . Dept. of Heat and Power Technology)

    1994-01-01

    New experimental data for the viscosity and density of the binary systems lithium chloride + water, lithium bromide + water, calcium chloride + water, lithium nitrate + water, and zinc bromide + water are presented. Densities are presented in tabular form and as 10-parameter correlations, while kinematic and dynamic viscosities are presented in tabular form. Data are presented in the concentration range from intermediate dilution to close to room temperature crystallization concentration. The temperature ranges are 20--70 C for density and 25--90 C for viscosity. When available, literature data are compared with the new data, and some disagreement is found. New thermogravimetric curves are presented for the dehydration of CaCl[sub 2], ZnBr[sub 2], and LiBr in order to enable evaluation of drying as a composition determination technique.

  15. Cs{sub 3}Zr{sub 6}Br{sub 15}Z (Z = C, B): A stuffed rhombohedral perovskite structure of linked clusters

    SciTech Connect (OSTI)

    Qi, Ru-Yi; Corbett, J.D.

    1995-03-29

    The isostructural title compounds are synthesized in good yields form reactions of Zr, ZrBr{sub 4}, CsBr, and Z in sealed Ta tubing for {approximately}3 weeks at 850 {degrees}C. Their single-crystal data refinements established the products as Cs{sub 3.02(7)-}Zr{sub 6}Br{sub 14}C and Cs{sub 3.39(5)}Zr{sub 6}br{sub 15}B (R3c, Z = 6, a = 13.1031 (6), 13.116(1) {angstrom}, c = 35.800(3), 35.980(6) {angstrom}, R(F)/R{sub w} = 5.4/5.9, 5.4/4.4%, respectively). The structure is derived form a three-dimensional [Zr{sub 6}(Z)Br{sub 12}]Br{sub 6/2} network of four-rings (as in ReO{sub 6/2}) twisted into a rhombohedral perovskite analogous to VF{sub 3}. The three necessary Cs{sup +} cations are fractionally distributed over five sites that are far from optimal or common, with either eight asymmetric or only three close bromide neighbors. Refinement of a third Cs{sub 3.18(5)}Zr{sub 6}Br{sub 15}C structure at {minus}50 {degrees}C gave the same result with somewhat smaller positional distributions of the atoms.

  16. Periodicity, Electronic Structures, and Bonding of Gold Tetrahalides [AuX4](-) (X = F, CI, Br, I, At, Uus)

    SciTech Connect (OSTI)

    Li, Wan-Lu; Li, Yong; Xu, Congqiao; Wang, Xue B.; Vorpagel, Erich R.; Li, Jun

    2015-12-07

    Systematic theoretical and experimental investigations have been performed to understand the periodicity and electronic structures of trivalent-gold halides using gold tetrahalides [AuX4]⁻ anions (X = F, Cl, Br, I, At, Uus). The [AuX4]⁻ (X = Cl, Br, I) anions were produced in gas phase and their negative-ion photoelectron spectra were obtained, which exhibited rich and well-resolved spectral peaks. We calculated the adiabatic as well as vertical electron detachment energies using density functional methods with scalar and spin-orbit coupling relativistic effects. The simulated photoelectron spectra based on these calculations are in good agreement with the experimental spectra. Our results show that the trivalent Au(III) oxidation state becomes progressively less stable while Au(I) is preferred when the halides become heavier along the Period Table. This trend reveals that the oxidation state of metals in complexes can be manipulated through ligand design

  17. Comparison of CsBr and KBr coated Cu photocathodes: Effects of laser irradiation and work function changes

    SciTech Connect (OSTI)

    He, Weidong; VilayurGanapathy, Subramanian; Joly, Alan G.; Droubay, Timothy C.; Chambers, Scott A.; Maldonado, Juan R.; Hess, Wayne P.

    2013-02-20

    Thin films (7 nm layers) of CsBr and KBr were deposited on Cu(100) to investigate photoemission properties of these potential photocathode materials. After thin film deposition and prolonged laser ultraviolet (UV) irradiation (266 nm picosecond laser) photoemission quantum efficiency increases by factors of 26 and 77 for KBr/Cu(100) and CsBr/Cu(100) photocathodes, respectively. Immediately following thin film deposition, a decrease in work function is observed, compared to bare Cu, in both cases. Quantum efficiency enhancements are attributed to the decrease in photocathode work function, due to the deposition of alkali halide thin films, and photo-induced processes, that introduce defect states into the alkali halide bandgap, induced by UV laser irradiation. It is possible that alkali metal formation occurs during UV irradiation and that this further contributes to photoemission enhancement. Our results suggest that KBr, a relatively stable alkali-halide, has potential for photocathode applications.

  18. Steady-State Thermal-Hydraulics Analyses for the Conversion of the BR2 Reactor to LEU

    SciTech Connect (OSTI)

    Licht, J. R.; Bergeron, A.; Dionne, B.; Van den Branden, G.; Kalcheva, S.; Sikik, E.; Koonen, E.

    2015-12-01

    BR2 is a research reactor used for radioisotope production and materials testing. It’s a tank-in-pool type reactor cooled by light water and moderated by beryllium and light water (Figure 1). The reactor core consists of a beryllium moderator forming a matrix of 79 hexagonal prisms in a hyperboloid configuration; each having a central bore that can contain a variety of different components such as a fuel assembly, a control or regulating rod, an experimental device, or a beryllium or aluminum plug. Based on a series of tests, the BR2 operation is currently limited to a maximum allowable heat flux of 470 W/cm2 to ensure fuel plate integrity during steady-state operation and after a loss-of-flow/loss-of-pressure accident.

  19. Palladium-catalyzed Br/D exchange of arenes: Selective deuterium incorporation with versatile functional group tolerance and high efficiency

    SciTech Connect (OSTI)

    Zhang, Honghai -Hai; Bonnesen, Peter V.; Hong, Kunlun

    2015-07-13

    There is a facile method for introducing one or more deuterium atoms onto an aromatic nucleus via Br/D exchange with high functional group tolerance and high incorporation efficiency is disclosed. Deuterium-labeled aryl chlorides and aryl borates which could be used as substrates in cross-coupling reactions to construct more complicated deuterium-labeled compounds can also be synthesized by this method.

  20. Palladium-catalyzed Br/D exchange of arenes: Selective deuterium incorporation with versatile functional group tolerance and high efficiency

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

    Zhang, Honghai -Hai; Bonnesen, Peter V.; Hong, Kunlun

    2015-01-01

    There is a facile method for introducing one or more deuterium atoms onto an aromatic nucleus via Br/D exchange with high functional group tolerance and high incorporation efficiency is disclosed. Deuterium-labeled aryl chlorides and aryl borates which could be used as substrates in cross-coupling reactions to construct more complicated deuterium-labeled compounds can also be synthesized by this method.

  1. Magnetic excitations in the spin-1/2 triangular-lattice antiferromagnet Cs2CuBr4

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

    Zvyagin, S. A.; Ozerov, M.; Kamenskyi, D.; Wosnitza, J.; Krzystek, J.; Yoshizawa, D.; Hagiwara, M.; Hu, Rongwei; Ryu, Hyejin; Petrovic, C.; et al

    2015-11-27

    We present on high- field electron spin resonance (ESR) studies of magnetic excitations in the spin- 1/2 triangular-lattice antiferromagnet Cs2CuBr4. Frequency- field diagrams of ESR excitations are measured for different orientations of magnetic fields up to 25 T. We show that the substantial zero- field energy gap, Δ ≈ 9.5 K, observed in the low-temperature excitation spectrum of Cs2CuBr4 [Zvyagin et al:, Phys. Rev. Lett. 112, 077206 (2014)], is present well above TN. Noticeably, the transition into the long-range magnetically ordered phase does not significantly affect the size of the gap, suggesting that even below TN the high-energy spin dynamicsmore » in Cs2CuBr4 is determined by short-range-order spin correlations. The experimental data are compared with results of model spin-wave-theory calculations for spin-1/2 triangle-lattice antiferromagnet.« less

  2. Electronic-to-vibrational energy transfer from Br* to CO2 and electronic-to-vibrational laser feasibility studies. Master's thesis

    SciTech Connect (OSTI)

    Katapski, S.M.

    1992-11-01

    The energy transfer mechanism from photo-excited bromine atoms (Br(2P sub 1/2)) to C02 is investigated in a pulsed fluorescence experiment. An excimer-pumped pulsed dye laser operating at 480 nm is used to photolyze molecular bromine, resulting in the creation of one excited state bromine atom, Br(2P sub 1/2), and one ground state atom, Br(2P sub 3/2). The electronically-excited bromine atoms (referred to as Br*) collide with and excite vibrational modes in the ground electronic state of CO2. Measurements are made of the Br* lifetimes and associated quenching processes, and the electronic-to-vibrational (E yields V) energy transfer rate from Br* to CO2. The feasibility of subsequent stimulated emission from the CO2 on the (101)-(100)(4.3 micron) transition is studied, and attempts are made to achieve lasing. Limitations of the experimental apparatus prevented achieving stimulated emission on the 4.3 micron transition. Recommendations are made for improvements in the analysis and apparatus for further research.... Bromine, Spin-orbit relaxation, Quenching, E-V energy transfer.

  3. Preparation, characterization and photocatalytic activity of visible-light-driven plasmonic Ag/AgBr/ZnFe{sub 2}O{sub 4} nanocomposites

    SciTech Connect (OSTI)

    Li, Xiaojuan Tang, Duanlian; Tang, Fan; Zhu, Yunyan; He, Changfa; Liu, Minghua Lin, Chunxiang; Liu, Yifan

    2014-08-15

    Highlights: A plasmonic Ag/AgBr/ZnFe{sub 2}O{sub 4} photocatalyst has been successfully synthesized. Ag/AgBr/ZnFe{sub 2}O{sub 4} nanocomposites exhibit high visible light photocatalytic activity. Ag/AgBr/ZnFe{sub 2}O{sub 4} photocatalyst is stable and magnetically separable. - Abstract: A visible-light-driven plasmonic Ag/AgBr/ZnFe{sub 2}O{sub 4} nanocomposite has been successfully synthesized via a depositionprecipitation and photoreduction through a novel one-pot process. X-ray diffraction spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy, transmission electron microscopy and UVvis diffuse reflectance spectroscopy were employed to investigate the crystal structure, chemical composition, morphology, and optical properties of the as-prepared nanocomposites. The photocatalytic activities of the nanocomposites were evaluated by photodegradation of Rhodamine B (RhB) and phenol under visible light. The results demonstrated that the obtained Ag/AgBr/ZnFe{sub 2}O{sub 4} nanocomposites exhibited higher photocatalytic activity as compared to pure ZnFe{sub 2}O{sub 4}. In addition, the sample photoreduced for 20 min and calcined at 500 C achieved the highest photocatalytic activity. Furthermore, the Ag/AgBr/ZnFe{sub 2}O{sub 4} nanocomposite has high stability under visible light irradiation and could be conveniently separated by using an external magnetic field.

  4. Theoretical investigation of structural properties of CuCl, CuBr and CuI compounds under hydrostatic pressure

    SciTech Connect (OSTI)

    Louhibi-Fasla, S.; Djabri, H. Rekab; Achour, H.; Kefif, K.

    2013-12-16

    We have applied a recent version of the full potential linear muffin-tin orbitals method (FPLMTO) to study the structural properties of copper halides CuX (X=Cl, Br, I) under high pressure using the generalized gradient approximation (GGA) for the exchange and correlation potential by Perdew et al. Results are given for lattice parameters, bulk modulus and its first derivatives in the wurtzite(B4), zinc-blende (B3), CsCl (B2), rock-salt (B1), and PbO (B10) structures. The results of these calculations are compared with the available theoretical and experimental data.

  5. Nanostructured Lanthanum Halides and CeBr3 for Nuclear Radiation and Detection

    SciTech Connect (OSTI)

    Paul Guss, Sanjoy Mukhopadhyay, Ron Guise, Ding Yuan

    2010-06-09

    Scintillator materials are used to detect, and in some cases identify, gamma rays. Higher performance scintillators are expensive, hard to manufacture, fragile, and sometimes require liquid nitrogen or cooling engines. But whereas lower-quality scintillators are cheap, easy to manufacture, and more rugged, their performance is lower. At issue: can the desirable qualities of high-and low-performance scintillators be combined to achieve better performance at lower cost? Preliminary experiments show that a LaF{sub 3}:Ce oleic acid-based nanocomposite exhibits a photopeak when exposed to {sup 137}Cs source gamma-radiation. The chemical synthesis of the cerium-doped lanthanum halide nanoparticles are scalable and large quantities of material can be produced at a time, unlike typical crystal growth processes such as the Bridgeman process. Using a polymer composite (Figure 1), produced by LANL, initial measurements of the unloaded and 8% LaF{sub 3}:Ce-loaded sample have been made using {sup 137}Cs sources. Figure 2 shows an energy spectrum acquired for CeF{sub 3}. The lighter plot is the measured polymer-only spectrum and the black plot is the spectrum from the nanocomposite scintillator. As the development of this material continues, the energy resolution is expected to improve and the photopeak-to-Compton ratio will become greater at higher loadings. These measurements show the expected Compton edge in the polymer-only sample, and the Compton edge and photo-peak expected in the nanophosphor composites that LANL has produced. Using a porous VYCORR with CdSe/ZnS core shell quantum dots, Letant has demonstrated that he has obtained signatures of the 241Am photopeak with energy resolution as good at NaI (Figure 3). We begin with the fact that CeBr{sub 3} crystals do not have a self-activity component as strong as the lanthanum halides. The radioactive 0.090% {sup 138}La component of lanthanum leads to significant self-activity, which will be a problem for very large

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

    SciTech Connect (OSTI)

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

    2015-06-15

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

  7. Preliminary design report: Babcock and Wilcox BR-100 100-ton rail/barge spent fuel shipping cask

    SciTech Connect (OSTI)

    1990-02-01

    The purpose of this document is to provide information on burnup credit as applied to the preliminary design of the BR-100 shipping cask. There is a brief description of the preliminary basket design and the features used to maintain a critically safe system. Following the basket description is a discussion of various criticality analyses used to evaluate burnup credit. The results from these analyses are then reviewed in the perspective of fuel burnups expected to be shipped to either the final repository or a Monitored Retrievable Storage (MRS) facility. The hurdles to employing burnup credit in the certification of any cask are then outlines and reviewed. the last section gives conclusions reached as to burnup credit for the BR-100 cask, based on our analyses and experience. All information in this study refers to the cask configured to transport PWR fuel. Boiling Water Reactor (BWR) fuel satisfies the criticality requirements so that burnup credit is not needed. All calculations generated in the preparation of this report were based upon the preliminary design which will be optimized during the final design. 8 refs., 19 figs., 16 tabs.

  8. Dissociative adsorption of CH{sub 3}X (X = Br and Cl) on a silicon(100) surface revisited by density functional theory

    SciTech Connect (OSTI)

    Wang, Chen-Guang; Huang, Kai E-mail: wji@ruc.edu.cn; Ji, Wei E-mail: wji@ruc.edu.cn

    2014-11-07

    During the dissociative adsorption on a solid surface, the substrate usually participates in a passive manner to accommodate fragments produced upon the cleavage of the internal bond(s) of a (transient) molecular adsorbate. This simple picture, however, neglects the flexibility of surface atoms. Here, we report a Density Functional Theory study to revisit our early studies of the dissociative adsorption of CH{sub 3}X (X = Br and Cl) on Si(100). We have identified a new reaction pathway, which involves a flip of a silicon dimer; this new pathway agrees better with experiments. For our main exemplar of CH{sub 3}Br, insights have been gained using a simple model that involves a three-atom reactive center, Br-C-Si. When the silicon dimer flips, the interaction between C and Si in the Br-C-Si center is enhanced, evident in the increased energy-split of the frontier orbitals. We also examine how the dissociation dynamics of CH{sub 3}Br is altered on a heterodimer (Si-Al, Si-P, and Si-Ge) in a Si(100) surface. In each case, we conclude, on the basis of computed reaction pathways, that no heterodimer flipping is involved before the system transverses the transition state to dissociative adsorption.

  9. Environmental effects on noble-gas hydrides: HXeBr, HXeCCH, and HXeH in noble-gas and molecular matrices

    SciTech Connect (OSTI)

    Tsuge, Masashi E-mail: leonid.khriachtchev@helsinki.fi; Lignell, Antti; Rsnen, Markku; Khriachtchev, Leonid E-mail: leonid.khriachtchev@helsinki.fi

    2013-11-28

    Noble-gas hydrides HNgY (Ng is a noble-gas atom and Y is an electronegative group) are sensitive probes of local environment due to their relatively weak bonding and large dipole moments. We experimentally studied HXeBr in Ar, Kr, and N{sub 2} matrices, HXeCCH in Ne and N{sub 2} matrices, and HXeH in an N{sub 2} matrix. These are the first observations of noble-gas hydrides in an N{sub 2} matrix. An N{sub 2} matrix strongly increases the HXe stretching frequency of HXeBr and HXeCCH with respect to a Ne matrix, which is presumably due to a strong interaction between the HNgY dipole moment and quadrupole moments of the surrounding lattice N{sub 2} molecules. The spectral shift of HXeBr in an N{sub 2} matrix is similar to that in a CO{sub 2} matrix, which is a rather unexpected result because the quadrupole moment of CO{sub 2} is about three times as large as that of N{sub 2}. The HXe stretching frequencies of HXeBr and HXeCCH in noble-gas matrices show a trend of ?(Ne) < ?(Xe) < ?(Kr) < ?(Ar), which is a non-monotonous function of the dielectric constants of the noble-gas solids. The MP2(full) calculations of HXeBr and HXeCCH with the polarizable continuum model as well as the CCSD(T) calculations of the HXeBrNg and HXeCCHNg (Ng = Ne, Ar, Kr, and Xe) complexes cannot fully explain the experimental observations. It is concluded that more sophisticated computational models should be used to describe these experimental findings.

  10. Stabilized wide bandgap MAPbBrxI3-x perovskite by enhanced grain size and improved crystallinity

    SciTech Connect (OSTI)

    Hu, Miao; Bi, Cheng; Yuan, Yongbo; Bai, Yang; Huang, Jinsong

    2015-12-07

    In this study, the light instability of CH3NH3PbIxBr3–x has been raised one of the biggest challenges for its application in tandem solar cells. Here we show that an improved crystallinity and grain size of CH3NH3PbIxBr3–x films could stabilize these materials under one sun illumination, improving both the efficiency and stability of the wide-bandgap perovskite solar cells.

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

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

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

    2015-08-06

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

  12. CROSSED MOLECULAR BEAM STUDIES OF CHEMILUMINESCENT REACTIONS: F{sub 2} + I{sub 2}, Br{sub 2} and ICl

    SciTech Connect (OSTI)

    Kahler, C.C.; Lee, Y.T.

    1980-05-01

    The chemiluminescent bimolecular halogen-halogen reactions, F{sub 2} + I{sub 2}, Br{sub 2} and ICl, have been studied by the crossed molecular beam technique. Undispersed chemiluminescence was measured as a function of collision energy and, for I{sub 2} + F{sub 2}, as a function of the two beam pressures. Although no spectra were obtained to positively identify the emitters as IF*, ClF* and BrF*, arguments are given to support this identification. The observed reaction thresholds of 4.2 and 5.9 kcal/mole for I{sub 2} + F{sub 2} and ICl + F{sub 2} , respectively, are the same as the threshold energies for production of the stable trihalogens I{sub 2}F and ClF. This coincidence of threshold energies, as well as similar high collision energy behavior, implies that the chemiluminescent reaction proceeds via a stable trihalogen intermediate. This mechanism can explain our results and the results of other workers without resorting to a symmetry forbidden four center reaction mechanism. A threshold of 11.3 kcal/mole was found for Br{sub 2} + F{sub 2} , no threshold for Br{sub 2}F has been previously reported. Laser enhancement of the I{sub 2} + F{sub 2} reaction was attempted, but no enhancement was seen.

  13. Magnetic excitations in the spin-1/2 triangular-lattice antiferromagnet Cs2CuBr4

    SciTech Connect (OSTI)

    Zvyagin, S. A.; Ozerov, M.; Kamenskyi, D.; Wosnitza, J.; Krzystek, J.; Yoshizawa, D.; Hagiwara, M.; Hu, Rongwei; Ryu, Hyejin; Petrovic, C.; Zhitomirsky, M. E.

    2015-11-27

    We present on high- field electron spin resonance (ESR) studies of magnetic excitations in the spin- 1/2 triangular-lattice antiferromagnet Cs2CuBr4. Frequency- field diagrams of ESR excitations are measured for different orientations of magnetic fields up to 25 T. We show that the substantial zero- field energy gap, Δ ≈ 9.5 K, observed in the low-temperature excitation spectrum of Cs2CuBr4 [Zvyagin et al:, Phys. Rev. Lett. 112, 077206 (2014)], is present well above TN. Noticeably, the transition into the long-range magnetically ordered phase does not significantly affect the size of the gap, suggesting that even below TN the high-energy spin dynamics in Cs2CuBr4 is determined by short-range-order spin correlations. The experimental data are compared with results of model spin-wave-theory calculations for spin-1/2 triangle-lattice antiferromagnet.

  14. Communication: Transfer ionization in a thermal reaction of a cation and anion: Ar{sup +} with Br{sup −} and I{sup −}

    SciTech Connect (OSTI)

    Shuman, Nicholas S.; Miller, Thomas M.; Viggiano, Albert A.; Johnsen, Rainer

    2013-11-07

    We present experimental evidence that reactions of argon cations Ar{sup +} with the halogen anions Br{sup −} and I{sup −} do not occur exclusively by mutual neutralization, but also produce the cations Br{sup +} or I{sup +} ions by transfer ionization (TI). The experiments were carried out in flowing-afterglow plasmas at gas temperatures between and 300 and 500 K, and employed a variant of the Variable Electron and Neutral Density Attachment Mass Spectrometry method. The measured TI rate coefficients are 1.9 ± 0.6 × 10{sup −9} cm{sup 3} s{sup −1} and 1.1 ± {sub 0.3}{sup 0.8}× 10{sup −9} cm{sup 3} s{sup −1} for the Br{sup −} and I{sup −} reactions, respectively. We find that the TI rate coefficients decline with temperature as T{sup −0.5} to T{sup −1}. No indication of TI was found in the reaction with Cl{sup −}, where it is endoergic.

  15. Spectroscopic Evidence for a High-Spin Br-Fe(IV)-Oxo Intermediate in the alpha-Ketoglutarate-Dependent Halogenase CytC3 from Streptomyces

    SciTech Connect (OSTI)

    Galonic Fujimori,D.; Barr, E.; Matthews, M.; Koch, G.; Yonce, J.; Walsh, C.; Bollinger, J.; Krebs, C.; Riggs-Gelasco, P.

    2007-01-01

    The complex of the mononuclear non-heme halogenase CytC3 from Streptomyces, Fe(II), {alpha}-ketoglutarate, bromide, and the substrate l-2-aminobutyryl-S-CytC2 reacts with O2 to form a reaction intermediate. Variable-field, freeze-quench Mossbauer spectroscopy reveals this intermediate to be a mixture of two high-spin Fe(IV) complexes in an approximate 3.7/1 ratio. Freeze-quench Fe K-edge X-ray absorption spectroscopy provides further insight into the structure of this intermediate. A short 1.62-Angstroms interaction between the Fe and one of its ligands is attributed to the Fe(IV)-oxo group, and a 2.43-Angstroms interaction is assigned to the Fe-Br interaction. A significantly longer Fe-Br separation (2.53 Angstroms) is observed in the reactant complex, consistent with lower valency of the Fe in the reactant complex. This intermediate is the first example for a Br-Fe(IV)-oxo complex in a protein and provides evidence for a unifying mechanism for Fe(II) and {alpha}-ketoglutarate-dependent dioxygenases and halogenases.

  16. Spectroscopic Evidence for a High-Spin Br-Fe(IV)-Oxo Intermediate in the -Ketoglutarate-Dependent Halogenase CyTc3 From Streptomyces

    SciTech Connect (OSTI)

    Fujimori, D.Galonic; Barr, E.W.; Matthews, M.L.; Koch, G.M.; Yonce, J.R.; Walsh, C.T.; Bollinger, J.M., Jr.; Krebs, C.; Riggs-Gelasco, P.J.

    2009-06-01

    The complex of the mononuclear non-heme halogenase CytC3 from Streptomyces, Fe(II), {alpha}-ketoglutarate, bromide, and the substrate l-2-aminobutyryl-S-CytC2 reacts with O{sub 2} to form a reaction intermediate. Variable-field, freeze-quench Moessbauer spectroscopy reveals this intermediate to be a mixture of two high-spin Fe(IV) complexes in an approximate 3.7/1 ratio. Freeze-quench Fe K-edge X-ray absorption spectroscopy provides further insight into the structure of this intermediate. A short 1.62-{angstrom} interaction between the Fe and one of its ligands is attributed to the Fe(IV)-oxo group, and a 2.43-{angstrom} interaction is assigned to the Fe-Br interaction. A significantly longer Fe-Br separation (2.53 {angstrom}) is observed in the reactant complex, consistent with lower valency of the Fe in the reactant complex. This intermediate is the first example for a Br-Fe(IV)-oxo complex in a protein and provides evidence for a unifying mechanism for Fe(II) and {alpha}-ketoglutarate-dependent dioxygenases and halogenases.

  17. 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.

  18. Neutron inelastic scattering investigation of the magnetic excitations in Cu{sub 2}Te{sub 2}O{sub 5}X{sub 2} (X=Br,Cl)

    SciTech Connect (OSTI)

    Crowe, S.J.; Majumdar, S.; Lees, M.R.; Paul, D. McK.; Bewley, R.I.; Levett, S.J.; Ritter, C.

    2005-06-01

    Neutron inelastic scattering investigations have been performed on the spin tetrahedral system Cu{sub 2}Te{sub 2}O{sub 5}X{sub 2} (X=Cl,Br). We report the observation of magnetic excitations with a dispersive component in both compounds, associated with the three-dimensional incommensurate magnetic order that develops below T{sub N}{sup Cl}=18.2 K and T{sub N}{sup Br}=11.4 K. The excitation in Cu{sub 2}Te{sub 2}O{sub 5}Cl{sub 2} softens as the temperature approaches T{sub N}{sup Cl}, leaving diffuse quasi-elastic scattering above the transition temperature. In the bromide, the excitations are present well above T{sub N}{sup Br}, which might be attributed to the presence of a degree of low dimensional correlations above T{sub N}{sup Br} in this compound.

  19. NMR shielding and spin–rotation constants of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules

    SciTech Connect (OSTI)

    Demissie, Taye B.

    2015-12-31

    This presentation demonstrates the relativistic effects on the spin-rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants and shielding spans of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules. The results are obtained from calculations performed using density functional theory (non-relativistic and four-component relativistic) and coupled-cluster calculations. The spin-rotation constants are compared with available experimental values. In most of the molecules studied, relativistic effects make an order of magnitude difference on the NMR absolute shielding constants.

  20. Parity violation in nuclear magnetic resonance frequencies of chiral tetrahedral tungsten complexes NWXYZ (X, Y, Z = H, F, Cl, Br or I)

    SciTech Connect (OSTI)

    Nahrwold, Sophie Berger, Robert; Clemens-Schöpf-Institute, Technical University Darmstadt, Petersenstr. 22, D-64287 Darmstadt ; Schwerdtfeger, Peter; Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Str., D-35032 Marburg

    2014-01-14

    Density functional theory within the two-component quasi-relativistic zeroth-order regular approximation (ZORA) is used to predict parity violation shifts in {sup 183}W nuclear magnetic resonance shielding tensors of chiral, tetrahedrally bonded tungsten complexes of the form NWXYZ (X, Y, Z = H, F, Cl, Br or I), as well as for the heavier systems NWHAtF and NWH(117)F for comparison. The calculations reveal that sub-mHz accuracy is required to detect such tiny effects in this class of compounds, and that parity violation effects are very sensitive to the choice of ligands.

  1. A chopper system for shortening the duration of pulsed supersonic beams seeded with NO or Br{sub 2} down to 13 μs

    SciTech Connect (OSTI)

    Lam, Jessica; Rennick, Christopher J.; Softley, Timothy P.

    2015-05-15

    A chopper wheel construct is used to shorten the duration of a molecular beam to 13 μs. Molecular beams seeded with NO or with Br{sub 2} and an initial pulse width of ≥200 μs were passed through a spinning chopper wheel, which was driven by a brushless DC in vacuo motor at a range of speeds, from 3000 rpm to 80 000 rpm. The resulting duration of the molecular-beam pulses measured at the laser detection volume ranged from 80 μs to 13 μs and was the same for both NO and Br{sub 2}. The duration is consistent with a simple analytical model, and the minimum pulse width measured is limited by the spreading of the beam between the chopper and the detection point as a consequence of the longitudinal velocity distribution of the beam. The setup adopted here effectively eliminates buildup of background gas without the use of a differential pumping stage, and a clean narrow pulse is obtained with low rotational temperature.

  2. Design and experimental testing of the performance of an outdoor LiBr/H{sub 2}O solar thermal absorption cooling system with a cold store

    SciTech Connect (OSTI)

    Agyenim, Francis; Knight, Ian; Rhodes, Michael

    2010-05-15

    A domestic-scale prototype experimental solar cooling system has been developed based on a LiBr/H{sub 2}O absorption system and tested during the 2007 summer and autumn months in Cardiff University, UK. The system consisted of a 12 m{sup 2} vacuum tube solar collector, a 4.5 kW LiBr/H{sub 2}O absorption chiller, a 1000 l cold storage tank and a 6 kW fan coil. The system performance, as well as the performances of the individual components in the system, were evaluated based on the physical measurements of the daily solar radiation, ambient temperature, inlet and outlet fluid temperatures, mass flow rates and electrical consumption by component. The average coefficient of thermal performance (COP) of the system was 0.58, based on the thermal cooling power output per unit of available thermal solar energy from the 12 m{sup 2} Thermomax DF100 vacuum tube collector on a hot sunny day with average peak insolation of 800 W/m{sup 2} (between 11 and 13.30 h) and ambient temperature of 24 C. The system produced an electrical COP of 3.6. Experimental results prove the feasibility of the new concept of cold store at this scale, with chilled water temperatures as low as 7.4 C, demonstrating its potential use in cooling domestic scale buildings. (author)

  3. Thorough Chemical Decontamination with the MEDOC Process : Batch Treatment of Dismantled Pieces or Loop Treatment of Large Components Such as the BR3 Steam Generator and Pressurizer

    SciTech Connect (OSTI)

    Ponnet, M.; Klein, M.; Massaut, V.; Davain, H.; Aleton, G.

    2003-02-25

    The dismantling of the BR3-PWR reactor leads to the production of large masses of contaminated metallic pieces, including structural materials, primary pipings, tanks and heat exchangers. One of our main objectives is to demonstrate that we can minimize the volume of radioactive waste in an economical way, by the use of alternative waste routes, such as the clearance of materials after thorough decontamination. The SCKoCEN uses its own developed chemical decontamination process, so-called MEDOC (Metal Decontamination by Oxidation with Cerium), based on the use of cerium IV as strong oxidant in sulphuric acid with continuous regeneration using ozone. An industrial installation has been designed and constructed in close collaboration with Framatome-ANP (France). This installation started operation in September 1999 for the treatment of the metallic pieces arising from the dismantling of the BR3 reactor. Since then, more than 25 tons of contaminated material including primary pipes have been treated batchwise with success. 75 % of material could be directly cleared after treatment (Activity lower than 0.1 Bq/g for 60Co) and the other 25% free released after melting activity. The SCKoCEN performed in April 2002 the closed loop decontamination of the BR3 Steam Generator by connection of the MEDOC plant after few adaptations. The decontamination was done within 30 cycles in 3 weeks with consecutive steps like decontamination steps (injection of the solution into the SG) and regeneration steps with ozone. In total, 60 hours of decontamination at 70 C and 130 hours of regeneration were needed to reach the objectives. The tube bundle (600 m2) was attacked and about 10 {micro}m representing more than 41 kg of stainless steel and 2.06 GBq of 60Co was dissolved into the solution. The residual contamination measurements made directly into the water box are still going on, however it seems that the objective to reach the free release criteria after melting is achieved. The next

  4. Estimation of steady-state and transcient power distributions for the RELAP analyses of the 1963 loss-of-flow and loss-of-pressure tests at BR2.

    SciTech Connect (OSTI)

    Dionne, B.; Tzanos, C. P.

    2011-05-23

    To support the safety analyses required for the conversion of the Belgian Reactor 2 (BR2) from highly-enriched uranium (HEU) to low-enriched uranium (LEU) fuel, the simulation of a number of loss-of-flow tests, with or without loss of pressure, has been undertaken. These tests were performed at BR2 in 1963 and used instrumented fuel assemblies (FAs) with thermocouples (TC) imbedded in the cladding as well as probes to measure the FAs power on the basis of their coolant temperature rise. The availability of experimental data for these tests offers an opportunity to better establish the credibility of the RELAP5-3D model and methodology used in the conversion analysis. In order to support the HEU to LEU conversion safety analyses of the BR2 reactor, RELAP simulations of a number of loss-of-flow/loss-of-pressure tests have been undertaken. Preliminary analyses showed that the conservative power distributions used historically in the BR2 RELAP model resulted in a significant overestimation of the peak cladding temperature during the transient. Therefore, it was concluded that better estimates of the steady-state and decay power distributions were needed to accurately predict the cladding temperatures measured during the tests and establish the credibility of the RELAP model and methodology. The new approach ('best estimate' methodology) uses the MCNP5, ORIGEN-2 and BERYL codes to obtain steady-state and decay power distributions for the BR2 core during the tests A/400/1, C/600/3 and F/400/1. This methodology can be easily extended to simulate any BR2 core configuration. Comparisons with measured peak cladding temperatures showed a much better agreement when power distributions obtained with the new methodology are used.

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

    SciTech Connect (OSTI)

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

    2015-08-06

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

  6. Feasibility of a super high-energy-density battery of the Li/Br/F sub 3 electrochemical system. Final report, 15 August 1989-14 May 1990

    SciTech Connect (OSTI)

    Frysz, C.A.; Pyszczek, M.F.; Ebel, S.J.

    1990-08-16

    Feasibility studies on the practical aspects of developing a lithium/bromine trifluoride battery have been studied. Efforts directed toward identifying materials for porous electrode separators, glasses for insulated electrical feed-throughs, and metals for lid, case and current collector fabrication via electrochemical testing techniques have resulted in a list of materials suitable for these applications. Prototype cells utilizing a spirally wound electrode configuration have been constructed and discharged. The use of lithium salts as an electrolyte additive has been explored, and has shown a positive effect on discharge performance. Through the use of currently available technology, however, the lithium/bromine trifluoride couple has not delivered energy density comparable to other high energy density lithium systems. This investigation has revealed that practical Li/BrF3 cell development will require further extensive fundamental electrochemical research.

  7. Laser Raman spectroscopy study of the zinc and bromide ion complex equilibrium in zinc/bromine battery electrolytes. [2M ZnBr/sub 2/ and 1M KBr solution

    SciTech Connect (OSTI)

    Grimes, P.G.; Larrabee, J.A.

    1985-01-01

    Laser Raman spectroscopy was used to study the zinc and bromide ion complex equilibrium in zinc bromine battery model electrolytes. Solutions of zinc bromide with added KBr, HBr and N-methyl, N-ethyl morpholinium (MEM) bromide were examined and compared. Solutions studied ranged from 1 to 3 molar in zinc and from 2.5 to 8 molar in bromide. A typical Raman spectrum of a zinc bromide solution is shown in Figure 1. Each of the zinc species is identified, Zn/sup + +/ (aq), ZnBr/sup +/, ZnBr/sub 2/ (aq), ZnBr/sub 3//sup -/ and ZnBr/sub 4//sup 2 -/. By the use of peak heights or deconvolution/integration along with published Raman cross sections, the amount of each zinc species could be quantitatively determined. The addition of bromide ions to the zinc bromide solutions will shift the equilibrium toward higher bromide complexes. The added cations will influence the shifts. It has been noted that the conductivity of the electrolyte decreases when the quaternary ammonium ions are present compared to cations such as potassium or hydrogen. Significantly more free zinc is present in zinc bromide solutions with added KBr than with either MEMBr or HBr. Shifts are also noted with the other zinc ion containing species. It appears that the quaternary ammonium ions and possibly the pH could have a stabilizing effect on zinc bromide complex ion formation. 2 figs.

  8. Magnetic property, Raman spectroscopy and crystal field analysis of Sm{sub 3+} in Sm(BrO{sub 3}){sub 3}⋅9H{sub 2}O

    SciTech Connect (OSTI)

    Mandal, J.; Chakrabarti, P. K.; Purohit, T.; Chattopadhyay, K. N.; Ghosh, M.

    2014-04-24

    Single crystals of Sm(BrO{sub 3}){sub 3}⋅9H{sub 2}O (SmBR) were grown and the principal molar susceptibility perpendicular to c-axis (χ{sub ⊥}) was measured from 300 K down to 14 K and χ{sub ‖}, the parallel susceptibility, anisotropy was measured in the temperature range of 300-120 K. A cross-over between χ{sub ‖} and χ{sub ⊥} was observed at ∼ 120 K i.e., below this temperature χ{sub |||}<χ{sub ‖}. Raman spectra of SmBR were recorded in the wave number range of 10-4000 cm{sup −1} and crystal field (CF) Stark energies were extracted from the spectra. A good theoretical simulation of the observed magnetic susceptibilities and observed CF Stark energies of Sm{sup 3+} in SmBR was achieved using the one electron crystal field (CF) interaction with D{sup 3h} site symmetry. The electronic specific heat along with the quadruple splitting and hyperfine heat capacity were calculated by using the results of CF analysis.

  9. Incommensurate magnetic ordering in Cu{sub 2}Te{sub 2}O{sub 5}X{sub 2} (X=Cl,Br) studied by single crystal neutron diffraction

    SciTech Connect (OSTI)

    Zaharko, O.; Roennow, H.; Mesot, J.; Crowe, S. J.; Paul, D. McK.; Brown, P. J.; Daoud-Aladine, A.; Meents, A.; Wagner, A.; Prester, M.; Berger, H.

    2006-02-01

    Polarized and unpolarized neutron-diffraction studies have been carried out on single crystals of the coupled spin tetrahedra systems Cu{sub 2}Te{sub 2}O{sub 5}X{sub 2} (X=Cl,Br). A model of the magnetic structure associated with the propagation vectors k{sup '}{sub Cl}{approx_equal}(-0.150,0.422,(1/2)) and k{sup '}{sub Br}{approx_equal}(-0.172,0.356,(1/2)) and stable below T{sub N}=18 K for X=Cl and T{sub N}=11 K for X=Br is proposed. A feature of the model, common to both the bromide and chloride, is a canted coplanar motif for the four Cu{sup 2+} spins on each tetrahedron which rotates on a helix from cell to cell following the propagation vector. The Cu{sup 2+} magnetic moment determined for X=Br,0.395(5){mu}{sub B}, is significantly less than for X=Cl,0.88(1){mu}{sub B} at 2 K. The magnetic structure of the chloride associated with the wave vector k{sup '} differs from that determined previously for the wave vector k{approx_equal}(0.150,0.422,(1/2)) [O. Zaharko et al., Phys. Rev. Lett. 93, 217206(E) (2004)].

  10. Hanford Speakers Bureau<br>>Frequently Asked Questions - Hanford...

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

    of the topics covered by the Hanford Speakers Bureau? The presentation covers various strategies for cleaning up the 586 square miles Hanford Site. Speakers can provide an...

  11. High field magnetotransport and point contact Andreev reflection measurements on CuCr{sub 2}Se{sub 4} and CuCr{sub 2}Se{sub 3}BrDegenerate magnetic semiconductor single crystals

    SciTech Connect (OSTI)

    Borisov, K. Coey, J. M. D.; Stamenov, P.; Alaria, J.

    2014-05-07

    Single crystals of the metallically degenerate fully magnetic semiconductors CuCr{sub 2}Se{sub 4} and CuCr{sub 2}Se{sub 3}Br have been prepared by the Chemical Vapour Transport method, using either Se or Br as transport agents. The high-quality, millimetre-sized, octahedrally faceted, needle- and platelet-shaped crystals are characterised by means of high field magnetotransport (?{sub 0}H? 14?T) and Point Contact Andreev Reflection. The relatively high spin polarisation observed |P|>0.56, together with the relatively low minority carrier effective mass of 0.25 m{sub e}, and long scattering time 10{sup ?13}?s, could poise these materials for integration in low- and close-to-room temperature minority injection bipolar heterojunction transistor demonstrations.

  12. Improvement of {gamma}-ray energy resolution of LaBr{sub 3}:Ce{sup 3+} scintillation detectors by Sr{sup 2+} and Ca{sup 2+} co-doping

    SciTech Connect (OSTI)

    Alekhin, M. S.; Haas, J. T. M. de; Khodyuk, I. V.; Dorenbos, P.; Kraemer, K. W.; Menge, P. R.; Ouspenski, V.

    2013-04-22

    Commercially available LaBr{sub 3}:5% Ce{sup 3+} scintillators show with photomultiplier tube readout about 2.7% energy resolution for the detection of 662 keV {gamma}-rays. Here we will show that by co-doping LaBr{sub 3}:Ce{sup 3+} with Sr{sup 2+} or Ca{sup 2+} the resolution is improved to 2.0%. Such an improvement is attributed to a strong reduction of the scintillation light losses that are due to radiationless recombination of free electrons and holes during the earliest stages (1-10 ps) inside the high free charge carrier density parts of the ionization track.

  13. Measurement of the B0(s) semileptonic branching ratio to an orbitally excited D**(s) state, Br(B0(s) ---> D-(s1)(2536) mu+ nu X)

    SciTech Connect (OSTI)

    Abazov, V.M.; Abbott, B.; Abolins, M.; Acharya, B.S.; Adams, M.; Adams, T.; Aguilo, E.; Ahn, S.H.; Ahsan, M.; Alexeev, G.D.; Alkhazov, G.; /Buenos Aires U. /Rio de Janeiro, CBPF /Rio de Janeiro State U. /ABC Federal U. /Sao Paulo, IFT /Alberta U. /Simon Fraser U. /York U., Canada /McGill U. /Hefei, CUST /Andes U., Bogota

    2007-12-01

    In a data sample of approximately 1.3 fb{sup -1} collected with the D0 detector between 2002 and 2006, the orbitally excited charm state D{sub s1}{sup {+-}}(2536) has been observed with a measured mass of 2535.7 {+-} 0.6(stat) {+-} 0.5(syst) MeV/c{sup 2} via the decay mode B{sub s}{sup 0} {yields} D{sub s1}{sup -}(2536){mu}{sup +} {nu}X. A first measurement is made of the branching ratio product Br({bar B} {yields} D{sub s1}{sup -}(2536){mu}{sup +}{nu}X) {center_dot} Br(D{sub s1}{sup -} {yields} D*{sup -} K{sub S}{sup 0}). Assuming that D{sub s1}{sup -}(2536) production in semileptonic decay is entirely from B{sub s}{sup 0}, an extraction of the semileptonic branching ratio Br(B{sub s}{sup 0} {yields} D{sub s1}{sup -}(2536){mu}{sup +}{nu}X) is made.

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

    SciTech Connect (OSTI)

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

    2015-09-03

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

  15. Optical absorption and luminescence spectroscopy of U{sup 3+} in K{sub 2}La{ital X}{sub 5} ({ital X}=Cl,Br,I)

    SciTech Connect (OSTI)

    Andres, H.P.; Kraemer, K.; Guedel, H.

    1996-08-01

    The title compounds were synthesized and high-resolution absorption and luminescence spectra measured in the near-infrared, VIS, and near UV regions. The visible absorption spectra are dominated by very intense 5{ital f}{r_arrow}6{ital d} bands overlapping with {ital f}-{ital f} transitions. The onset of the first {ital f}-{ital d} absorption is shifted from 46000 cm{sup {minus}1} in K{sub 2}LaCl{sub 5}:Nd{sup 3+} to 15000 cm{sup {minus}1} in K{sub 2}LaCl{sub 5}:U{sup 3+}. Crystal-field splittings in corresponding {sup 2{ital S}+1}{ital L}{sub {ital J}} multiplets are greater by typically a factor of 2 in the U{sup 3+} doped crystal, thus reflecting the larger extension and stronger interaction of the 5{ital f} electrons with the ligands. {ital f}-{ital f} transitions are typically two orders of magnitude more intense in K{sub 2}LaCl{sub 5}:U{sup 3+} than in K{sub 2}LaCl{sub 5}:Nd{sup 3+}. Along the halide series K{sub 2}La{ital X}{sub 5}:U{sup 3+} ({ital X}=Cl,Br,I) the differences in the position of corresponding {ital f}-{ital d} and {ital f}-{ital f} transitions, crystal-field splittings, vibronic intensities, and excited-state lifetimes can be explained with the increasing covalency, the decreasing phonon energies, the increasing electron-phonon coupling, and the increasing U-{ital X} distances. The {ital f}-{ital d} excited states provide a nonradiative bypass of some {ital f}-{ital f} excited states in the case of all these halide lattices. The excited-state dynamics are determined by a delicate interplay of radiative and nonradiative relaxation processes, they are strongly dependent on the nature of {ital X}. Multiphonon relaxation processes are least competitive in the iodide due to the very low value of 106 cm{sup {minus}1} for the highest-energy phonons. A cross-relaxation mechanism determines the dynamics of the iodide at room temperature. {copyright} {ital 1996 The American Physical Society.}

  16. 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).

  17. Spectral indices measurements using miniature fission chambers at the MINERVE zero-power reactor at CEA using calibration data obtained at the BR1 reactor at SCK.CEN

    SciTech Connect (OSTI)

    De lanaute, N. Blanc; Mellier, F.; Lyoussi, A.; Domergue, C.; Di Salvo, J. [CEA, DEN, DER, SPEX, F-13108 St Paul Les Durance, (France); Borms, L.; Wagemans, J. [CEN SCK, Belgian Nucl Res Ctr, B-2400 Mol, (Belgium)

    2012-08-15

    Spectral indices measurements performed in 2004 at the CEA MINERVE facility loaded with the R-UO{sub 2} lattice, using calibration data acquired at the SCK center dot CEN BR1 facility in 2001, resulted in ambivalent conclusions. On one hand, spectral indices involving only fissile isotopes gave consistent discrepancies between calculation and experiment. On the other hand, spectral indices involving both fissile and fertile isotopes, in particular the {sup 238}U(n, f)/{sup 235}U(n, f) spectral index, showed inconsistent results depending on the type of calibration data used. For different reasons, no definitive explanation was given at that time. In 2009, the preparation of the AMMON program at the EOLE facility motivated the manufacturing of a new set of detectors. At the same time, the re-installation of the R1-UO{sub 2} lattice in MINERVE provided the opportunity to carry out again a spectral indices measurement campaign. Nevertheless, although the isotopic compositions of active deposits were better known than previously, the comparison between experimental results and calculations still lead to inconsistent discrepancies. In April 2010, a new calibration series conducted again at the BR1 facility allowed the CEA to reanalyze the spectral indices measurements performed in 2009. With these very latest calibration data, experimental values of spectral indices finally matched calculations within the uncertainty margins. This paper also sums up the work that has been achieved to explain the incoherencies observed in 2004. (authors)

  18. Effect of externally applied pressure on the magnetic behavior of Cu{sub 2}Te{sub 2}O{sub 5}(Br{sub x}Cl{sub 1-x}){sub 2}

    SciTech Connect (OSTI)

    Crowe, S. J.; Lees, M. R.; Paul, D. M. K.; Bewely, R. I.; Taylor, J.; McIntyre, G.; Zaharko, O.; Berger, H.

    2006-04-01

    The effect of externally applied pressure on the magnetic behavior of Cu{sub 2}Te{sub 2}O{sub 5}(Br{sub x}Cl{sub 1-x}){sub 2} with x=0, 0.73, and 1, is investigated by a combination of magnetic susceptibility, neutron diffraction, and neutron inelastic scattering measurements. The magnetic transition temperatures of the x=0 and 0.73 compositions are observed to increase linearly with increasing pressure at a rate of 0.23(2) and 0.04(1) K/kbar, respectively. However, the bromide shows contrasting behavior with a large suppression of the transition temperature under pressure, at a rate of -0.95(9) K/kbar. In neutron inelastic scattering measurements of Cu{sub 2}Te{sub 2}O{sub 5}Br{sub 2} under pressure only a small change to the ambient pressure magnetic excitations were observed. A peak in the density of states was seen to shift from {approx}5 meV in ambient pressure to {approx}6 meV under an applied pressure of 11.3 kbar, which was associated with an increase in the overall magnetic coupling strength.

  19. Solid-state synthesis, structure and properties of a novel open-framework cadmium selenite bromide: [Cd{sub 10}(SeO{sub 3}){sub 8}Br{sub 4}]·HBr·H{sub 2}O

    SciTech Connect (OSTI)

    Chen, Wen-Tong; Wang, Ming-Sheng; Wang, Guan-E; Chen, Hui-Fen; Guo, Guo-Cong

    2013-08-15

    A novel open-framework cadmium selenite bromide, [Cd{sub 10}(SeO{sub 3}){sub 8}Br{sub 4}]·HBr·H{sub 2}O (1), has been obtained by a solid-state reaction at 450 °C, and the structure has been determined by single-crystal X-ray diffraction analysis. Compound 1 crystallizes in Pbcm of the orthorhombic system: a=10.882(3), b=16.275(5), c=18.728(6) Å, V=3317(2) Å{sup 3}, R1/wR2=0.0411/0.0659. Compound 1 is characteristic of a novel 3-D open-framework structure, composing {sub ∞}{sup 2}[CdSeO{sub 3}] layers and the pillars of edge-shared CdO{sub 3}Br{sub 2} square pyramids. The lattice water molecules and the HBr molecules locate in the voids of the framework. Optical absorption spectrum of 1 reveals the presence of an optical gap of 1.65 eV. Solid-state photoluminescent study indicates that compound 1 exhibits strong violet emission. TG–DSC measurement shows that compound 1 is thermally stable up to 200 °C. - Graphical abstract: A metal selenite halide has been synthesized and features a 3-D open-framework structure, composing edge-shared CdO{sub 8} decahedra and pillars of edge-sharing pentahedra. UV–vis, TG–DSC and luminescent measurements are also reported. Highlights: • This paper reports a novel cadmium selenite bromide obtained by an intermediate-temperature solid-state reaction. • The title compound is characteristic of a novel 3-D open-framework structure, composing {sub ∞}{sup 2}[CdSeO{sub 3}] layers and the pillars of edge-shared CdO{sub 3}Br{sub 2} square pyramids. • The title compound is thermally stable up to 200 °C. • The title compound has an optical gap of 1.65 eV and exhibits strong violet emission.

  20. Design and testing of a unique active Compton-suppressed LaBr3(Ce) detector system for improved sensitivity assays of TRU in remote-handled TRU wastes

    SciTech Connect (OSTI)

    J. K. Hartwell; M. E. McIlwain; J. A. Kulisek

    2007-10-01

    The US Department of Energy’s transuranic (TRU) waste inventory includes about 4,500 m3 of remote-handled TRU (RH-TRU) wastes composed of a variety of containerized waste forms having a contact surface dose rate that exceeds 2 mSv/hr (200 mrem/hr) containing waste materials with a total TRU concentration greater than 3700 Bq/g (100 nCi/g). As part of a research project to investigate the use of active Compton-suppressed room-temperature gamma-ray detectors for direct non-destructive quantification of the TRU content of these RH-TRU wastes, we have designed and purchased a unique detector system using a LaBr3(Ce) primary detector and a NaI(Tl) suppression mantle. The LaBr3(Ce) primary detector is a cylindrical unit ~25 mm in diameter by 76 mm long viewed by a 38 mm diameter photomultiplier. The NaI(Tl) suppression mantle (secondary detector) is 175 mm by 175 mm with a center well that accommodates the primary detector. An important feature of this arrangement is the lack of any “can” between the primary and secondary detectors. These primary and secondary detectors are optically isolated by a thin layer (.003") of aluminized kapton, but the hermetic seal and thus the aluminum can surrounds the outer boundary of the detector system envelope. The hermetic seal at the primary detector PMT is at the PMT wall. This arrangement virtually eliminates the “dead” material between the primary and secondary detectors, a feature that preliminary modeling indicated would substantially improve the Compton suppression capability of this device. This paper presents both the expected performance of this unit determined from modeling with MCNPX, and the performance measured in our laboratory with radioactive sources.

  1. Mutual neutralization of atomic rare-gas cations (Ne{sup +}, Ar{sup +}, Kr{sup +}, Xe{sup +}) with atomic halide anions (Cl{sup −}, Br{sup −}, I{sup −})

    SciTech Connect (OSTI)

    Shuman, Nicholas S.; Miller, Thomas M.; Viggiano, Albert A.; Johnsen, Rainer

    2014-01-28

    We report thermal rate coefficients for 12 reactions of rare gas cations (Ne{sup +}, Ar{sup +}, Kr{sup +}, Xe{sup +}) with halide anions (Cl{sup −}, Br{sup −}, I{sup −}), comprising both mutual neutralization (MN) and transfer ionization. No rate coefficients have been previously reported for these reactions; however, the development of the Variable Electron and Neutral Density Attachment Mass Spectrometry technique makes it possible to measure the difference of the rate coefficients for pairs of parallel reactions in a Flowing Afterglow-Langmuir Probe apparatus. Measurements of 18 such combinations of competing reaction pairs yield an over-determined data set from which a consistent set of rate coefficients of the 12 MN reactions can be deduced. Unlike rate coefficients of MN reactions involving at least one polyatomic ion, which vary by at most a factor of ∼3, those of the atom-atom reactions vary by at least a factor 60 depending on the species. It is found that the rate coefficients involving light rare-gas ions are larger than those for the heavier rare-gas ions, but the opposite trend is observed in the progression from Cl{sup −} to I{sup −}. The largest rate coefficient is 6.5 × 10{sup −8} cm{sup 3} s{sup −1} for Ne{sup +} with I{sup −}. Rate coefficients for Ar{sup +}, Kr{sup +}, and Xe{sup +} reacting with Br{sub 2}{sup −} are also reported.

  2. Experimental and ab initio studies of the reactive processes in gas phase i-C{sub 3}H{sub 7}Br and i-C{sub 3}H{sub 7}OH collisions with potassium ions

    SciTech Connect (OSTI)

    Lpez, E.; Lucas, J. M.; Andrs, J. de; Albert, M.; Aguilar, A., E-mail: a.aguilar@ub.edu [Departament de Qumica Fsica, Institut de Qumica Terica i Computacional (IQTCUB), Universitat de Barcelona, Mart i Franqus, 1, 08028 Barcelona (Spain); Bofill, J. M. [Departament de Qumica Orgnica, Institut de Qumica Terica i Computacional (IQTCUB), Universitat de Barcelona, Mart i Franqus, 1, 08028 Barcelona (Spain); Bassi, D. [Dipartimento di Fisica, Universit degli Studi di Trento, 38123 Povo-Trento (Italy)

    2014-10-28

    Collisions between potassium ions and neutral i-C{sub 3}H{sub 7}Br and i-C{sub 3}H{sub 7}OH, all in their electronic ground state, have been studied in the 0.1010.00 eV center of mass (CM) collision energy range, using the radiofrequency-guided ion beam technique. In K{sup +} + i-C{sub 3}H{sub 7}Br collisions KHBr{sup +} formation was observed and quantified, while the analogous KH{sub 2}O{sup +} formation in K{sup +} + i-C{sub 3}H{sub 7}OH was hardly detected. Moreover, formation of the ion-molecule adducts and their decomposition leading to C{sub 3}H{sub 7}{sup +} and either KBr or KOH, respectively, have been observed. For all these processes, absolute cross-sections were measured as a function of the CM collision energy. Ab initio structure calculations at the MP2 level have given information about the potential energy surfaces (PESs) involved. In these, different stationary points have been characterized using the reaction coordinate method, their connectivity being ensured by using the intrinsic-reaction-coordinate method. From the measured excitation function for KHBr{sup +} formation the corresponding thermal rate constant at 303 K has been calculated. The topology of the calculated PESs allows an interpretation of the main features of the reaction dynamics of both systems, and in particular evidence the important role played by the potential energy wells in controlling the reactivity for the different reaction channels.

  3. Kinetic model of a space-based, Br(4 (2)P 1/2 {r_arrow} 4 (2)P 3/2) laser pumped by solar photolysis of IBr

    SciTech Connect (OSTI)

    Behnken, B.N.

    1999-03-01

    A kinetic model of the directly solar-pumped, atomic bromine laser -- operating on the Br (4 (2)P 1/2 {r_arrow} 4 (2)P 3/2) transition under IBr photolysis -- was developed, executed, and interpreted. In recognition of an evolving national interest in space-based laser development, the model presumed operation on a space station platform. Results indicate that a well-engineered IBr laser is capable of generating 1.2 kilowatts of continuous-wave (CW) power under a pumping concentration of 20,000 solar units. Such performance translates to an efficiency of roughly 0.29%, appreciably better than the 0.1% ascribed to the heretofore leading solar-pumped competitor. An extensive analysis of kinetic data suggests the unanticipated conclusion that, under proper parameter selection, sustained CW oscillation can be achieved absent any flow mechanism whatsoever. This result seems most strongly predicated upon proper bandpass discrimination: a 457--545 nm range of incidence produced optimal results. Sensitivity analysis revealed a strong degree of competition among the laser`s constituent processes; two-body quenching and exchange reactions were predominant. With the significant exception of iodine recombination, three-body processes were negligible. Thermal increases, as well as rapid growth of atomic iodine, appear to pose the greatest kinetic threat to CW lasing.

  4. Absolute NMR shielding scales and nuclear spin–rotation constants in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br and {sup 127}I)

    SciTech Connect (OSTI)

    Demissie, Taye B. Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth; Jaszuński, Michał

    2015-10-28

    We present nuclear spin–rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants, and shielding spans of all the nuclei in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I), calculated using coupled-cluster singles-and-doubles with a perturbative triples (CCSD(T)) correction theory, four-component relativistic density functional theory (relativistic DFT), and non-relativistic DFT. The total nuclear spin–rotation constants determined by adding the relativistic corrections obtained from DFT calculations to the CCSD(T) values are in general in agreement with available experimental data, indicating that the computational approach followed in this study allows us to predict reliable results for the unknown spin–rotation constants in these molecules. The total NMR absolute shielding constants are determined for all the nuclei following the same approach as that applied for the nuclear spin–rotation constants. In most of the molecules, relativistic effects significantly change the computed shielding constants, demonstrating that straightforward application of the non-relativistic formula relating the electronic contribution to the nuclear spin–rotation constants and the paramagnetic contribution to the shielding constants does not yield correct results. We also analyze the origin of the unusually large absolute shielding constant and its relativistic correction of gold in AuF compared to the other gold monohalides.

  5. Use of InSpector{sup TM} 1 1000 Instrument with LaBr{sub 3} for Nuclear Criticality Safety (NCS) Applications at the Westinghouse Hematite Decommissioning Project (HDP) - 13132

    SciTech Connect (OSTI)

    Pritchard, Megan; Guido, Joe

    2013-07-01

    The Westinghouse Hematite Decommissioning Project (HDP) is a former nuclear fuel cycle facility that is currently undergoing decommissioning. One aspect of the decommissioning scope is remediation of buried nuclear waste in unlined burial pits. The current Nuclear Criticality Safety program relies on application of criticality controls based on radiological setpoints from a 2 x 2 Sodium Iodide (NaI) detector. Because of the nature of the material buried (Low Enriched Uranium (LEU), depleted uranium, thorium, and radium) and the stringent threshold for application of criticality controls based on waste management (0.1 g {sup 235}U/L), a better method for {sup 235}U identification and quantification has been developed. This paper outlines the early stages of a quick, in-field nuclear material assay and {sup 235}U mass estimation process currently being deployed at HDP. Nuclear material initially classified such that NCS controls are necessary can be demonstrated not to require such controls and dispositioned as desired by project operations. Using Monte Carlo techniques and a high resolution Lanthanum Bromide (LaBr) detector with portable Multi-Channel Analyzer (MCA), a bounding {sup 235}U mass is assigned to basic geometries of nuclear material as it is excavated. The deployment of these methods and techniques has saved large amounts of time and money in the nuclear material remediation process. (authors)

  6. GNU Bug Reports

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

    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

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

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

    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...

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

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

    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...

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

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

    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...

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

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

    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 ...

  11. 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. ...

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

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

    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

  13. 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

  14. 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

  15. 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 ...

  16. 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

  17. 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 ...

  18. 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 ...

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

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

    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 ...

  4. 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,...

  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

    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.

  6. 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

  7. Nuclear Data Sheets for A = 68

    SciTech Connect (OSTI)

    McCutchan, E. A.

    2012-07-01

    The experimental results from the various reaction and radioactive decay studies leading to nuclides in the A = 68 mass chain have been reviewed. Nuclides ranging from Cr (Z = 24) to Br (Z = 35) are included. For these nuclei, level and decay schemes, as well as tables of nuclear properties, are given. This work supersedes the previous evaluation of the data on these nuclides (2002Bu29).

  8. Abraham Hot Springs Geothermal Area Northern Basin and Range...

    Open Energy Info (EERE)

    br Brophy br Model br Moeck br Beardsmore br Type br Volume br Geothermal br Region Mean br Reservoir br Temp br Mean br Capacity Abraham Hot Springs Geothermal Area Northern Basin...

  9. Enhancement of Br ( B d → μ + μ - ) / Br ( B s → μ + μ - ) in supersymmetric unified models

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

    Dutta, Bhaskar; Mimura, Yukihiro

    2015-05-14

    We explain the 2.3σ deviation in the recent measurements of the neutral B meson decays into muon pairs from the standard model prediction in the framework of supersymmetric grand unified models using antisymmetric coupling as a new source of flavor violation. We show a correlation between the Bd→μ⁺μ⁻ decay and the CP phase in the Bd→J/ψK decay and that their deviations from the standard model predictions can be explained after satisfying constraints arising from various hadronic and leptonic rare decay processes, B-B¯, K-K¯ oscillation data, and electric dipole moments of electron and neutron. The allowed parameter space is typically representedmore » by pseudoscalar Higgs mass mA≤1 TeV and tanβH(≡vu/vd)≲20 for squark and gluino masses around 2 TeV.« less

  10. Joshua Borycz | Center for Gas SeparationsRelevant to Clean Energy...

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

    EFRC Research I study CO2 adsorption within metal-organic frameworks (MOFs). Thus far my ... or UFF force fields for all CO2-framework interactions within the exception of ...

  11. 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.

  12. BIG RU N INDIANA LAKESHORE RUN E LUMBER CIT Y WARSAW JOHNST

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

    RU N INDIANA LAKESHORE RUN E LUMBER CIT Y WARSAW JOHNST OWN BU RNSIDE MILLSTONE FROSTBUR G JUN EAU PLU MVILLE CHERRY HILL KAN E BOSWELL MAR ION CENT ER CREEKSIDE SALTSBUR G POINT N BLAIR SVILL E COU NCIL RU N SIGEL LEWISVILLE BEAR C REEK AR MBRUST OHIOPYLE HALLT ON BR OOKVILLE MAR KTON NOL O RAT HMEL COR SICA MAR CHAND SMIC KSBU RG HOWE APOLLO SEVEN SPRIN GS YAT ESBORO MCNEES LUCIND A GEORGE PIN EY LEEPER TIMBLIN WILL ET FERGUSON CLIMAX PANIC DAVY HILL TIDIOUT E GRAMPIAN SLIGO ROC KVI LLE

  13. Modeling carbon nanotube growth on the catalyst-substrate surface subjected to reactive plasma [<br>

    SciTech Connect (OSTI)

    Tewari, Aarti; Sharma, Suresh C.

    2014-06-15

    The paper presents a theoretical model to study the growth of the carbon nanotube (CNT) on the catalyst substrate surface subjected to reactive plasma. The charging rate of the CNT, kinetics of electron, ions and neutral atoms, the growth rate of the CNT because of diffusion and accretion of ions on the catalyst nanoparticle inclusion of the issue of the plasma sheath is undertaken in the present model. Numerical calculations on the effect of ion density and temperature and the substrate bias on the growth of the CNT have been carried out for typical glow discharge plasma parameters. It is found that the height of CNT increases with the ion density of carbon ions and radius of CNT decreases with hydrogen ion density. The substrate bias also affects the growth rate of the CNT. The field emission characteristics from the CNTs can be analyzed from the results obtained.

  14. Materials Data on Th6CoBr15 (SG:229) 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 ThBrN (SG:129) 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 CuSe3Br (SG:53) 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

  17. Materials Data on Pd(PbBr3)2 (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

  18. Materials Data on Tl3PdBr5 (SG:61) 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. Oxidation/Reduction Reactions at the Metal Contact-TlBr Interface...

    Office of Scientific and Technical Information (OSTI)

    A paper copy of this document is also available for sale to the public from the National Technical Information Service, Springfield, VA at www.ntis.gov. Authors: Nelson, A J ; ...

  20. Palladium-catalyzed Br/D exchange of arenes: Selective deuterium...

    Office of Scientific and Technical Information (OSTI)

    Authors: Zhang, Honghai -Hai 1 ; Bonnesen, Peter V. 1 ; Hong, Kunlun 1 + Show Author Affiliations Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for ...

  1. Materials Data on Ga2PdBr8 (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

  2. Materials Data on Tb6Br7 (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

  3. Materials Data on Hg3(SeBr)2 (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

  4. Materials Data on Tb5Br8 (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

  5. Molecular dynamics simulations of Si etching in Cl- and Br-based...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Molecular dynamics simulations of Si etching in ... thickness, surface stoichiometry, and depth profile of surface products simulated for ...

  6. Guide to Developing Air-Cooled Lithium Bromide (LiBr) Absorption...

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

    Look at the Impact of Building, Cooling, Heating, and Power (BCHP) and Innovation, June ... 2004 Photo credit: Oak Ridge National Lab Residential Absorption Heat Pump Water Heater

  7. Materials Data on RbBr (SG:221) 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

  8. Materials Data on CsBr (SG:221) 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

  9. Materials Data on KAl2Br7 (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

  10. Materials Data on KPb2Br5 (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

  11. Materials Data on K2(NbBr3)3 (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

  12. Method of increments for the halogen molecular crystals: Cl, Br, and I

    SciTech Connect (OSTI)

    Steenbergen, Krista G.; Gaston, Nicola; Müller, Carsten; Paulus, Beate

    2014-09-28

    Method of increments (MI) calculations reveal the n-body correlation contributions to binding in solid chlorine, bromine, and iodine. Secondary binding contributions as well as d-correlation energies are estimated and compared between each solid halogen. We illustrate that binding is entirely determined by two-body correlation effects, which account for >80% of the total correlation energy. One-body, three-body, and exchange contributions are repulsive. Using density-fitting (DF) local coupled-cluster singles, doubles, and perturbative triples for incremental calculations, we obtain excellent agreement with the experimental cohesive energies. MI results from DF local second-order Møller-Plesset perturbation (LMP2) yield considerably over-bound cohesive energies. Comparative calculations with density functional theory and periodic LMP2 method are also shown to be less accurate for the solid halogens.

  13. Materials Data on Sr5P3BrO12 (SG:176) 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 Cd(W3Br7)2 (SG:201) 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 CdBr2 (SG:186) 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. RELAP5 Model Description and Validation for the BR2 Loss-of-Flow Experiments

    SciTech Connect (OSTI)

    Licht, J. R.; Dionne, B.; Van den Branden, G.; Sikik, E.; Koonen, E.

    2015-07-01

    This paper presents a description of the RELAP5 model, the calibration method used to obtain the minor loss coefficients from the available hydraulic data and the LOFA simulation results compared to the 1963 experimental tests for HEU fuel.

  17. Materials Data on La5(AlBr)4 (SG:140) 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

  18. Materials Data on Ta(TeBr3)2 (SG:2) 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. Materials Data on Ta3(Se4Br3)2 (SG:2) by Materials Project

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

    Kristin Persson

    2015-03-19

    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 Pd(SeBr3)2 (SG:2) 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

  1. Materials Data on Bi(TeBr2)2 (SG:2) 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

  2. Materials Data on IrBr3 (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

  3. Materials Data on Li6Br3N (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

  4. Materials Data on B5H6Br (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

  5. Materials Data on H4BrN (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

  6. Materials Data on Rb3ZnBr5 (SG:62) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-07-09

    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

  7. Materials Data on LiBr (SG:225) 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

  8. LAKESHORE AVON BR ANT-EDEN ALD EN-LANC ASTER AU BURN W SH ELDON

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

    Liquids Reserve Class No 2001 Liiquids Reserves 0.1 - 10 Mbbl 10.1 - 100 Mbbl 100.1 - 1000 Mbbl 1000.1 - 10,000 Mbbl Appalachian Basin Boundary C a n a d a N Y P A N Y U S A ...

  9. LAKESHORE AVON BR ANT-EDEN ALD EN-LANC ASTER AU BURN W SH ELDON

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

    BOE Reserve Class No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1000 MBOE 1000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Appalachian Basin Boundary C a n a d ...

  10. Tank Farm Closure & Waste Management Environmental Impact Statement <br>

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

    (DOE/EIS-0391) - Hanford Site Statements Tank Closure & WM EIS Info Documents CERCLA Five-Year Review NEPA - Categorical Exclusions NEPA - Environmental Assessments NEPA - Environmental Impact Statements Environmental Management Performance Reports Tank Farm Closure & Waste Management Environmental Impact Statement (DOE/EIS-0391) Email Email Page | Print Print Page | Text Increase Font Size Decrease Font Size The U.S. Department of Energy (USDOE) has prepared a Final Environmental

  11. Materials Data on PaBr4 (SG:141) 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

  12. Materials Data on PaBr5 (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

  13. Materials Data on S4(BrN)3 (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

  14. Materials Data on Y4OsBr4 (SG:15) 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 Rb3Os2Br9 (SG:194) by Materials Project

    SciTech Connect (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

  16. Materials Data on OsBr4 (SG:61) by Materials Project

    SciTech Connect (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

  17. Materials Data on K2OsBr6 (SG:225) by Materials Project

    SciTech Connect (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

  18. Materials Data on PH9C3Br3N (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

  19. Materials Data on PH4Br (SG:129) 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 CrBrO (SG:59) 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

  1. Materials Data on Cs2SbBr6 (SG:0) 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

  2. Materials Data on BrO2F (SG:9) 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

  3. LAKESHORE AVON BR ANT-EDEN ALD EN-LANC ASTER AU BURN W SH ELDON

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

    BOE Reserve Class No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1000 MBOE 1000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Appalachian Basin Boundary C a n a d a N Y P A N Y U S A Appalachian Basin, NY Area (Panel 1 of 7) Oil and Gas Fields By 2001 BOE

  4. LAKESHORE AVON BR ANT-EDEN ALD EN-LANC ASTER AU BURN W SH ELDON

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

    Liquids Reserve Class No 2001 Liiquids Reserves 0.1 - 10 Mbbl 10.1 - 100 Mbbl 100.1 - 1000 Mbbl 1000.1 - 10,000 Mbbl Appalachian Basin Boundary C a n a d a N Y P A N Y U S A Appalachian Basin, NY Area (Panel 1 of 7) Oil and Gas Fields By 2001 Liquids

  5. Materials Data on HgBrO3 (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

  6. Materials Data on CsHgBr3 (SG:221) 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

  7. Materials Data on Tl4HgBr6 (SG:128) 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

  8. Materials Data on Hg3(TeBr)2 (SG:199) 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 C(Se2Br)2 (SG:33) 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 CuTe2Br (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

  11. Materials Data on Tl2TeBr6 (SG:128) 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 BiTeBr (SG:156) 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 CuW3Br7 (SG:201) 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 W3Br8 (SG:64) by Materials Project

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

    Kristin Persson

    2015-03-24

    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. 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.

  16. A=10B (66LA04)

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

    66LA04) (See Energy Level Diagrams for 10B) GENERAL: See (BA59F, BR59M, TA60L, TR61, IN62, BU63D, KU63B, ME63A, MO63C, OL63B, VL63A, WA63C, AM64, BA64V, FR64D, GR64C, MA64HH, NE64C, OL64A, ST64, VA64F, FA65C, NE65). See also Table 10.6 [Table of Energy Levels] (in PDF or PS). Ground State: μ = +1.8007 nm (FU65E). Q = +0.08 b (FU65E). 1. 6Li(α, γ)10B Qm = 4.461 Six resonances are observed in the range Eα = 0.5 to 2.6 MeV, corresponding to 10B*(4.76 - 6.06 MeV): see Table 10.8 (in PDF or PS).

  17. A=15N (70AJ04)

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

    70AJ04) (See Energy Level Diagrams for 15N) GENERAL: See Table 15.4 [Table of Energy Levels] (in PDF or PS) here. Model calculations:(HA57B, BR59M, FE59E, TA60L, BA61N, BU63D, KU63I, MA64HH, CO65I, FA65A, GR65E, GU65A, ZA65B, EL66B, SO66A, CO67M, EL67C, PA67K, EL68E, HO68, MA68DD, SH68D, WA68E, ZH68A, CH69, EL69B). General calculations and reviews:(EV64, BE65G, OL66B, WI66E, FA67A, LO67E, BI68C, ZH68, HA69M, IW69A). Electromagnetic transitions:(RO65O, HA66O, PO66F, RO66C, RO66M, WA66D, KU67J,

  18. Lawrence Co. Scioto Co. Greenup Co. Jack

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

    COWEN BELLS F OR D FREDVILLE BIG CH IMNEY ALVIN N RPD-LAWRENC E-2 PEYTONA-EMMON S TOM PR ICE SCHOOL NE BREEDEN MAR E CREEK SCHOOL FAR LEY C HUR CH W LON G R UN LICKBURG RPD-GALLIA-1 MIMA LEF T F OR K RPD-MASON-1 MABSCOT T-CBM CON LEY MEAD E BR ANCH PET ERSBURG VAN LEAR SILVERTON RPD-SC IOT O-2 HURR ICANE CR EEK OT TER ROAD BRANCH SH AVERS FORK HAGERH ILL KEEL FORK CRAGER FORK CON TRARY BRAN CH HUNN EWELL S DUMPS CREEK DOBSON SCH OOL BU LAN DANIEL HINDMAN N LAU REL HILL CROOK PYR AMI D AU XIER

  19. Feasibility of a superhigh energy-density battery of the Li/BrF sub 3 electrochemical system. Technical report

    SciTech Connect (OSTI)

    Pyszczek, M.F.; Ebel, S.J.; Frysz, C.A.

    1989-01-01

    To date, design and construction of a material-handling and measurement system along with the apparatus required for waste material disposal has been completed. Preliminary corrosion screening of potential case materials is currently underway. A review of the literature, has led us to the use of Monel (trademark) 400 as the material of construction for the handling and measurement system. The inherent stability of this material with bromine trifluoride in its liquid state is crucial to ensure that contamination does not occur during storage and handling. For applications which require a flexible or transparent material, items fabricated from perfluoroalkyoxy polymers (Teflon) (trademark PFA) were utilized. One such application encountered was in the design of the graduated tank which allows visual inspection of the material prior to dispensing. Containers used for compatibility/corrosion testing were also constructed of PFA.

  20. Materials Data on Na3Al3Si3AgBrO12 (SG:9) 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

  1. Materials Data on SiP3H29C10BrN (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

  2. Photo Gallery

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

    Credit: Gerardo Gutierrez<br>>br>>

  3. Timeline and Updates

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

    1.5.2<br>cray-tpsl1.5.2<br>cray-trilinos11.12.1.5<br>craype2.5.0<br>craypkg-gen1.3.2<br>fftw3.3.4.6<br>iobuf2.0.6<br>papi5.4.1.3<br>parallel-netcdf...

  4. 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.

  5. 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 ...

  6. --No Title--

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

    (M) release date: January 29, 2016 for November 2015 data<br>Next monthly release: End of February 2016 (December 2015 data)<br>><---Re...

  7. --No Title--

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

    Release Date: January 28, 2016 for November 2015 data<br>Next Monthly Release: End of February 2016 for December 2015 data<br>><---b>Month...

  8. emergency preparedness

    National Nuclear Security Administration (NNSA)

    to provide assurances of an effective response:<br ><br >Structured TrainingDrills Program<br >A comprehensive, coordinated, and documented program of training...

  9. Development of a promising filtration method for liquid clarification in nuclear facilities. [For TMI-2 water, reprocessing dissolver solutions, ZnBr/sub 2/ shielding solutions

    SciTech Connect (OSTI)

    Collins, E.D.; Knauer, J.B.; Byrd, L.A.; Ross, R.G.; Savage, H.C.

    1982-01-01

    Conclusions reached are that deep beds of diatomaceous earths are especially attractive for clarification of radioactive solutions, or slurries containing insoluble radioactive material, because the diatomaceous material provides a noncompressible medium that is retentive for a wide variety of particle sizes. Also, the diatomaceous material, because of its inorganic composition, is resistant to degradation by radiation from the retained particulate matter. Its silicious character is especially appropriate for conversion to vitrified or cement-type waste forms. This paper studied the use of diatomaceous earth to filter synthetic TMI-2 water, reprocessing dissolver solutions, and zinc bromide solutions (hot-cell shielding).

  10. Feasibility of a superhigh energy-density battery of the Li/BrF sub 3 electrochemical system. Progress report, 15 October-15 December 1989

    SciTech Connect (OSTI)

    Pyszczek, M.F.; Ebel, S.J.; Frysz, C.A.

    1989-12-15

    The feasibility of developing a lithium/bromine trifluoride battery is being studied. Critical to this product development is materials selection. Consequently, efforts have been directed toward identifying candidate porous electrode separators, glasses for insulated electrical feed-throughs and metals for lid, case, and current-collector fabrication. Samples were evaluated via electrochemical testing techniques and one month storage in Teflon vials. Vial test results for metal samples did not vary significantly from those reported in technical report 0001AA. Of the separator samples tested, Raychem proves to be most promising. Further study is required regarding glass selection. Electrochemical testing is still in progress.