National Library of Energy BETA

Sample records for 5 4 3

  1. Beamline 5.4.3

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

    5.4.3 Beamline 5.4.3 Print Wednesday, 16 June 2010 16:10 High resolution far-IR to mid-IR spectroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.002-1.0 eV Frequency range 20-10,000 cm-1 Interferometer resolution 0.00096 cm-1 Endstations Bruker IFS 125HR with 9 scanner chambers Characteristics High resolution Far-IR to Mid-IR spectroscopy primarily for gas phase and cluster samples. Spatial resolution ~1 mm Detectors Wide-range MCT-A (mercury

  2. Beamline 5.4.3

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

    Beamline 5.4.3 Print High resolution far-IR to mid-IR spectroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.002-1.0 eV Frequency range 20-10,000 cm-1 Interferometer resolution 0.00096 cm-1 Endstations Bruker IFS 125HR with 9 scanner chambers Characteristics High resolution Far-IR to Mid-IR spectroscopy primarily for gas phase and cluster samples. Spatial resolution ~1 mm Detectors Wide-range MCT-A (mercury cadmium telluride), Si Bolometer,

  3. Beamline 5.4.3

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

    3 Print High resolution far-IR to mid-IR spectroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.002-1.0 eV Frequency range...

  4. Beamline 5.4.3

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

    3 Print High resolution far-IR to mid-IR spectroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.002-1.0 eV Frequency range 20-10,000 cm-1 Interferometer resolution 0.00096 cm-1 Endstations Bruker IFS 125HR with 9 scanner chambers Characteristics High resolution Far-IR to Mid-IR spectroscopy primarily for gas phase and cluster samples. Spatial resolution ~1 mm Detectors Wide-range MCT-A (mercury cadmium telluride), Si Bolometer, DLATGS, hot

  5. Beamline 5.4.3

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

    3 Print High resolution far-IR to mid-IR spectroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.002-1.0 eV Frequency range 20-10,000 cm-1 Interferometer resolution 0.00096 cm-1 Endstations Bruker IFS 125HR with 9 scanner chambers Characteristics High resolution Far-IR to Mid-IR spectroscopy primarily for gas phase and cluster samples. Spatial resolution ~1 mm Detectors Wide-range MCT-A (mercury cadmium telluride), Si Bolometer, DLATGS, hot

  6. Beamline 5.4.3

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

    3 Print High resolution far-IR to mid-IR spectroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.002-1.0 eV Frequency range 20-10,000 cm-1 Interferometer resolution 0.00096 cm-1 Endstations Bruker IFS 125HR with 9 scanner chambers Characteristics High resolution Far-IR to Mid-IR spectroscopy primarily for gas phase and cluster samples. Spatial resolution ~1 mm Detectors Wide-range MCT-A (mercury cadmium telluride), Si Bolometer, DLATGS, hot

  7. Beamline 5.4.3

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

    3 Print High resolution far-IR to mid-IR spectroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.002-1.0 eV Frequency range 20-10,000 cm-1 Interferometer resolution 0.00096 cm-1 Endstations Bruker IFS 125HR with 9 scanner chambers Characteristics High resolution Far-IR to Mid-IR spectroscopy primarily for gas phase and cluster samples. Spatial resolution ~1 mm Detectors Wide-range MCT-A (mercury cadmium telluride), Si Bolometer, DLATGS, hot

  8. Beamline 5.4.3

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

    3 Print High resolution far-IR to mid-IR spectroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.002-1.0 eV Frequency range 20-10,000 cm-1 Interferometer resolution 0.00096 cm-1 Endstations Bruker IFS 125HR with 9 scanner chambers Characteristics High resolution Far-IR to Mid-IR spectroscopy primarily for gas phase and cluster samples. Spatial resolution ~1 mm Detectors Wide-range MCT-A (mercury cadmium telluride), Si Bolometer, DLATGS, hot

  9. Beamline 5.4.3

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

    3 Print High resolution far-IR to mid-IR spectroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.002-1.0 eV Frequency range 20-10,000 cm-1 Interferometer resolution 0.00096 cm-1 Endstations Bruker IFS 125HR with 9 scanner chambers Characteristics High resolution Far-IR to Mid-IR spectroscopy primarily for gas phase and cluster samples. Spatial resolution ~1 mm Detectors Wide-range MCT-A (mercury cadmium telluride), Si Bolometer, DLATGS, hot

  10. RELAP5-3D V. 4.X.X

    Energy Science and Technology Software Center (OSTI)

    000191MLTPL01 NON-NRC FUNDED RELAP5-3D VERSION 4.x.x SOFTWARE REACTOR EXCURSION AND LEAK ANALYSIS PACKAGE - THREE DIMENSIONAL

  11. Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene from 3,5-dichloroanisole

    DOE Patents [OSTI]

    Ott, D.G.; Benziger, T.M.

    1991-03-05

    Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) from 3,5-dichloroanisole is described. Nitration of 3,5-dichloroanisole under relatively mild conditions gave 3,5-dichloro-2,4,6-trinitroanisole in high yield and purity. Ammonolysis of this latter compound gave the desired TATB. Another route to TATB was through the treatment of the 3,5-dichloro-2,4,6-trinitroanisole with thionyl chloride and dimethylformamide to yield 1,3,5-trichloro-2,4,6-trinitrobenzene. Ammonolysis of this product produced TATB. 8 figures.

  12. Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene from 3,5-dichloroanisole

    DOE Patents [OSTI]

    Ott, Donald G. (Los Alamos, NM); Benziger, Theodore M. (Santa Fe, NM)

    1991-01-01

    Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) from 3,5-dichloroanisole. Nitration of 3,5-dichloroanisole under relatively mild conditions gave 3,5-dichloro-2,4,6-trinitroanisole in high yield and purity. Ammonolysis of this latter compound gave the desired TATB. Another route to TATB was through the treatment of the 3,5-dichloro-2,4,6-trinitroanisole with thionyl chloride and dimethylformamide to yield 1,3,5-trichloro-2,4,6-trinitrobenzene. Ammonolysis of this product produced TATB.

  13. Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene from 3,5-dichloranisole

    DOE Patents [OSTI]

    Ott, Donald G. (Los Alamos, NM); Benziger, Theodore M. (Santa Fe, NM)

    1990-01-01

    Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) from 3,5-dichloroanisole. Nitration of 3,5-dichloroanisole under relatively mild conditions gave 3,5-dichloro-2,4,6-trinitroanisole in high yield and purity. Ammonolysis of this latter compound gave the desired TATB. Another route to TATB was through the treatment of the 3,5-dichloro-2,4,6-trinitroanisole with thionyl chloride and dimethylformamide to yield 1,3,5-trichloro-2,4,6-trinitrobenzene. Ammonolysis of this product produced TATB.

  14. Propellant Containing 3, 6bis(1h-1,2,3,4-Tetrazol-5-Ylamino)-1,2,4,5- Tetrazine Or Salt Thereof

    DOE Patents [OSTI]

    Hiskey, Michael A.; Chavez, David E.; Naud, Darren

    2003-12-02

    The compound 3,6-bis(1H-1,2,3,4-tetrazol-5-ylamino)-1,2,4,5-tetrazine and its salts are provided together with a propellant composition including an oxidizer, a binder and 3,6-bis(1H-1,2,3,4-tetrazol-5-ylamino)-1,2,4,5-tetrazine or its salts.

  15. SEP Request for Approval Form 5 - Model Does Not Satisfy 3.4.1-3.4.10

    Energy Savers [EERE]

    Requirements | Department of Energy 5 - Model Does Not Satisfy 3.4.1-3.4.10 Requirements SEP Request for Approval Form 5 - Model Does Not Satisfy 3.4.1-3.4.10 Requirements SEP-Request-for-Approval-Form-5_Model-Does-Not-Satisfy-3.4.1-3.4.10-Requirements.docx (36.06 KB) More Documents & Publications SEP Request for Approval Form 3 - Other Complex Regression Model Rationale SEP Request for Approval Form 7 - Other Situations for Consumption Adjustment

  16. Preparation of 3,3'-azobis(6-amino-1,2,4,5-tetrazine)

    DOE Patents [OSTI]

    Hiskey, Michael A.; Chavez, David E.; Naud, Darren

    2002-01-01

    The compound of the structure ##STR1## where a, b, c, d and e are 0 or 1 and a+b+c+d+e is from 0 to 5 is disclosed together with the species 3,3'-azobis(6-amino-1,2,4,5-tetrazine) and a process of preparing such compounds.

  17. Synthesis, crystal structure and DFT studies of N-(4-acetyl-5,5-dimethyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

    SciTech Connect (OSTI)

    Gautam, P.; Gautam, D.; Chaudhary, R. P.

    2013-12-15

    The title compound N-(4-acetyl-5,5-dimethyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide (III) was obtained from the reaction of 2-(propan-2-ylidene)hydrazinecarbothioamide (II) with acetic anhydride instead of formation of the desired thiosemcarbazide derivative of Meldrum acid. The structures of II and III were established by elemental analysis, IR, NMR, Mass and X-ray crystallographic studies. II crystallizes in triclinic system, sp. gr. P-bar1 Z = 2; III crystallizes in the monoclinic system, sp. gr. P2{sub 1}/c, Z = 8. Density functional theory (DFT) calculations have been carried out for III. {sup 1}H and {sup 13}C NMR of III has been calculated and correlated with experimental results.

  18. RELAP5-3D Developmental Assessment. Comparison of Version 4.3.4i on Linux and Windows

    SciTech Connect (OSTI)

    Bayless, Paul David

    2015-10-01

    Figures have been generated comparing the parameters used in the developmental assessment of the RELAP5-3D code, version 4.3i, compiled on Linux and Windows platforms. The figures, which are the same as those used in Volume III of the RELAP5-3D code manual, compare calculations using the semi-implicit solution scheme with available experiment data. These figures provide a quick, visual indication of how the code predictions differ between the Linux and Windows versions.

  19. Microsoft PowerPoint - NEAC CASL @ 3.5 Years Report v4

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

    ... Reactor System Multiphysics Integrator 4 CASL @3.5 Years Mesh Motion Quality Improvement Geometry Management Mesh Motion Quality Improvement Geometry Management Virtual ...

  20. Mirant: Case 67a: Units 3 & 4 & 5 at Max Load for 12 hours and...

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

    Case 67a: Units 3 & 4 & 5 at Max Load for 12 hours and at Min Load for 12 hours Mirant: Case 67a: Units 3 & 4 & 5 at Max Load for 12 hours and at Min Load for 12 hours Docket No. ...

  1. Synthesis, characterization, and crystal structure of 2-amino-7-methyl-5-oxo-4-phenyl-4,5-dihydropyrano[3,2-c] pyran-3-carbonitrile

    SciTech Connect (OSTI)

    Sharma, S.; Banerjee, B.; Brahmachari, G.; Kant, Rajni; Gupta, V. K.

    2015-12-15

    2-Amino-7-methyl-5-oxo-4-phenyl-4,5-dihydropyrano[3,2-c] pyran-3-carbonitrile, C{sub 16}H{sub 12}N{sub 2}O{sub 3} is synthesized via one-pot multi-component reaction at room temperature using commercially available urea as inexpensive and environmentally benign organo-catalyst. Its structure is determined by single-crystal X-ray diffraction technique The crystals are monoclinic, a = 10.7357(12), b = 8.7774(8), c = 15.0759(16) Å, β = 103.575(11)°, Z = 4, sp. gr. P2{sub 1}/n, R = 0.0551 for 1696 observed reflections. The crystal structure is stabilized by N–H···N, C–H···O, and C–H···π interactions.

  2. Thermoacoustic engine simulations with lattice Boltzmann CFD. Tasks 3, 4 and 5 progress report

    SciTech Connect (OSTI)

    1995-02-06

    Advanced Projects Research Incorporated has completed tasks number 3, 4 and 5 of the specified tasks in the LANL subcontract. Task 3 required measurement of the acoustic attenuation for various thermoacoustic conditions and Task 4 involved the analysis of the energy transfer mechanisms for the geometries of Task 3. Finally, Task 5 specified that simulations of thermoacoustic engine configurations used at LANL were to be performed. Discussion of all 3 task results is presented.

  3. Lattice Mn3+ Behaviors in Li4Ti5O12/LiNi0.5Mn1.5O4 Full Cells

    SciTech Connect (OSTI)

    Zheng, Jianming; Xiao, Jie; Nie, Zimin; Zhang, Jiguang

    2013-05-28

    High voltage spinels LiNi0.5Mn1.5O4 (LNMO) with different contents of residual Mn3+ ions have been evaluated in full cells using Li4Ti5O12 (LTO) as standard anode. Greatly improved cycling stability has been observed for all spinels in LTO-limited full cell, compared with those in LNMO-limited ones, while the underlying mechanisms are quite different. It has been discovered that the participation of active Mn3+ in the extended cycling and thus its observable contribution to Li+ diffusion kinetics depend on the limiting electrode and the sufficiency of Li+ ions. Potential Mn dissolution has also been discussed to identify the key factors that need to be considered to construct full cells employing high voltage spinel as the cathode.

  4. NA-243 ANNUAL REPORT 24.3.1.5.4 Cooperation with UK (Technical...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: NA-243 ANNUAL REPORT 24.3.1.5.4 Cooperation with UK Authors: Smith, Morag Kristin 1 + Show Author Affiliations Los Alamos National ...

  5. 3-nitro-1,2,4-triazol-5-one, a less sensitive explosive

    DOE Patents [OSTI]

    Lee, Kien-Yin; Coburn, Michael D.

    1988-01-01

    A less sensitive explosive, 3-nitro-1,2,4-triazol-5-one. The compound 3-nitro-1,2,4-triazol-5-one (NTO) has a crystal density of 1.93 g/cm.sup.3 and calculated detonation velocity and pressure equivalent to those of RDX. It can be prepared in high yield from inexpensive starting materials in a safe synthesis. Results from initial small-scale sensitivity tests indicate that NTO is less sensitive than RDX and HMX in all respects. A 4.13 cm diameter, unconfined plate-dent test at 92% of crystal density gave the detonation pressure predicted for NTO by the BKW calculation.

  6. RELAP5-3D Developmental Assessment: Comparison of Versions 4.3.4i and 4.2.1i

    SciTech Connect (OSTI)

    Bayless, Paul David

    2015-10-01

    Figures have been generated comparing the parameters used in the developmental assessment of the RELAP5-3D code using versions 4.3.4i and 4.2.1i. The figures, which are the same as those used in Volume III of the RELAP5-3D code manual, compare calculations using the semi-implicit solution scheme with available experiment data. These figures provide a quick, visual indication of how the code predictions changed between these two code versions and can be used to identify cases in which the assessment judgment may need to be changed in Volume III of the code manual. Changes to the assessment judgments made after reviewing all of the assessment cases are also provided.

  7. Synthesis of 3-amino-4-hydroxylaminothiazolidine-2-thiones and 2,3-dimethyl-4. cap alpha. ,5-dihydro-7-thioxothiazolo(3,4-b)-1,2,4-triazines

    SciTech Connect (OSTI)

    Epshtein, S.P.; Orlova, T.I.; Rukasov, A.F.; Tashchi, V.P.; Putsykin, Yu. G.

    1987-10-01

    The reaction of dimeric nitroso chlorides of olefins with potassium dithiocarbazate was used to synthesize 3-amino-4-hydroxylaminothiazolidine-2-thiones, which undergo rearrangement to 2-mercapto-1,3,4-thiadiazines on heating and react with butane-2,3-dione to give 2,3-dimethyl-4..cap alpha..,5-dihydro-7-thioxothiazolo(3,4-b)-1,2,4-triazine 4-oxides. The latter are reduced by sodium borohydride to the corresponding 3,4,4..cap alpha..,5-tetrahydro-7-thioxo derivatives. The IR spectra of KBr pellets of the compounds were recorded with a Perkin-Elmer spectrometer. The UV spectra of solutions in ethanol were obtained with a Specord UV spectrophotometer. The PMR spectra of solutions of the compounds in d/sub 6/-DMSO were obtained with a Varian FT-80A spectrometer with tetramethylsilane (TMS) as the internal standard.

  8. Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene of submicron particle size

    DOE Patents [OSTI]

    Rigdon, Lester P.; Moody, Gordon L.; McGuire, Raymond R.

    2001-01-01

    A method is disclosed for the preparation of very small particle size, relatively pure 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). Particles of TATB prepared according to the disclosed method are of submicron size and have a surface area in the range from about 3.8 to 27 square meters per gram.

  9. Preparation of 1,3,5-triamo-2,4,6-trinitrobenzene of submicron particle size

    DOE Patents [OSTI]

    Rigdon, Lester P.; Moody, Gordon L.; McGuire, Raymond R.

    2001-05-01

    A method is disclosed for the preparation of very small particle size, relatively pure 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). Particles of TATB prepared according to the disclosed method are of submicron size and have a surface area in the range from about 3.8 to 27 square meters per gram.

  10. 3-nitro-1,2,4-triazol-5-one: A less sensitive explosive

    DOE Patents [OSTI]

    Lee, Kien-Yin; Coburn, M.D.

    1987-01-30

    A less sensitive explosive, 3-nitro-1,2,4-triazol-5-one. The compound 3-nitro--1,2,4-triazol-5-one (NTO) has a crystal density of 1.93 g/cm/sup 3/ and calculated detonation velocity and pressure equivalent to those of RDX. It can be prepared in high yield from inexpensive starting materials in a safe synthesis. Results from initial small-scale sensitivity tests indicate that NTO is less sensitive than RDX and HMX in all respects. A 4.13 cm diameter, unconfined plate-dent test at 92% of crystal density gave the detonation pressure predicted for NTO by the BKW calculation. 3 tabs.

  11. Electric-dipole allowed and intercombination transitions among the 3d{sup 5}, 3d{sup 4}4s and 3d{sup 4}4p levels of Fe IV

    SciTech Connect (OSTI)

    Deb, Narayan C.; Hibbert, Alan

    2010-07-15

    Oscillator strengths and transition rates for the electric-dipole (E1) allowed and intercombination transitions among 3d{sup 5}, 3d{sup 4}4s and 3d{sup 4}4p levels of Fe IV are calculated using the CIV3 code of Hibbert and coworkers. Using the Hartree-Fock functions up to 3d orbitals we have also optimized 4s, 4p, 4d, 4f, 5s, 5p and 5d orbitals of which 4s and 4p are taken to be spectroscopic and the remaining orbitals represent corrections to the spectroscopic orbitals or the correlation effects. The J-dependent levels of 108 LS states are included in the calculation and the relativistic effects are accounted for via the Breit-Pauli operator. Configurations are chosen in two steps: (a) two promotions were allowed from the 3p, 3d, 4s and 4p subshells, using all the orbitals; and (b) selective promotions from the 3s subshell are included, but only to the 3s and 4s orbitals. The ab initio fine-structure levels are then fine tuned to reproduce observed energy levels as closely as possible, and the resulting wavefunctions are used to calculate oscillator strengths and transition rates for all possible E1 transitions. For many of these transitions, the present results show good agreement between the length and velocity forms while for some transitions, some large disagreements are found with other available results. The complete list of weighted oscillator strengths, transition rates, and line strengths for transitions among the fine structure levels of the three lowest configurations are presented in ascending order of wavelength.

  12. Thermally stable compositions including 2,4,8,10-tetranitro-5H-pyrido[3',2':4,5][1,2,3]triazolo[1,2-a]benzotriazo- l-6-ium, inner salt

    DOE Patents [OSTI]

    Hiskey, Michael A.; Huynh, My Hang

    2010-01-26

    An explosive formulation including 2,4,8,10-tetranitro-5H-pyrido[3',2':4,5][1,2,3]triazolo[1,2-a]benzotriazo- l-6-ium, inner salt and a high temperature binder is disclosed together with a process of preparing 2,4,8,10-tetranitro-5H-pyrido[3',2':4,5][1,2,3]triazolo[1,2-a]benzotriazo- l-6-ium, inner salt.

  13. Accelerators (4/5)

    SciTech Connect (OSTI)

    2009-07-08

    1a) Introduction and motivation 1b) History and accelerator types 2) Transverse beam dynamics 3a) Longitudinal beam dynamics 3b) Figure of merit of a synchrotron/collider 3c) Beam control 4) Main limiting factors 5) Technical challenges Prerequisite knowledge: Previous knowledge of accelerators is not required.

  14. Accelerators (4/5)

    ScienceCinema (OSTI)

    None

    2011-10-06

    1a) Introduction and motivation 1b) History and accelerator types 2) Transverse beam dynamics 3a) Longitudinal beam dynamics 3b) Figure of merit of a synchrotron/collider 3c) Beam control 4) Main limiting factors 5) Technical challenges Prerequisite knowledge: Previous knowledge of accelerators is not required.

  15. Spot test for 1,3,5-triamino-2,4,6-trinitrobenzene, TATB

    DOE Patents [OSTI]

    Harris, Betty W.

    1986-01-01

    A simple, sensitive and specific spot test for 1,3,5-triamino-2,4,6-trinitrobenzene, TATB, is described. Upon the application of the composition of matter of the present invention to samples containing in excess of 0.1 mg of this explosive, a bright orange color results. Interfering species such as TNT and Tetryl can be removed by first treating the sample with a solvent which does not dissolve much of the TATB, but readily dissolves these explosives.

  16. Spot test for 1,3,5-triamino-2,4,6-trinitrobenzene, TATB

    DOE Patents [OSTI]

    Harris, B.W.

    1984-11-29

    A simple, sensitive and specific spot test for 1,3,5-triamino-2,4,6-trinitrobenzene, TATB, is described. Upon the application of the composition of matter of the subject invention to samples containing in excess of 0.1 mg of this explosive, a bright orange color results. Interfering species such as TNT and Tetryl can be removed by first treating the sample with a solvent which does not dissolve the TATB, but readily dissolves these interfering explosives.

  17. Crystal structure of 4-[benzylideneamino]-3-thiophen-2-yl-methyl-4,5-dihydro-1H-[1,2,4] triazole-5-one

    SciTech Connect (OSTI)

    Tanak, H.

    2013-12-15

    The crystal structure of the title compound C{sub 14}H{sub 12}N{sub 4}OS was determined by the X-ray diffraction method. The compound crystallizes in the triclinic space group P-bar1 with Z = 2. The molecule is not planar: the dihedral angle between the triazole and thiophene rings is 73.98(2)°, and that between the triazole and benzene rings is 4.05(2)°. The thiophene ring is disordered over two positions, which are approximately parallel and oppositely oriented. The major component refined to a site-occupancy factor of 0.573(3). An intramolecular C-H...O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked together by two pairs of N-H...O interactions (to the same O atom as acceptor), forming inversion dimers. The crystal packing is also stabilized by π-π interactions [centroid-centroid distance is 3.978 Å].

  18. 2,2{prime},4,4{prime},5,5{prime}-hexachlorobiphenyl (2HCB) and 3,3{prime},4,4{prime},5,5{prime}-hexachlorobiphenyl alter plasma thyroxine (T4) levels in rainbow trout (Oncorhynchus mykiss)

    SciTech Connect (OSTI)

    Foster, E.; Curtis, L.; Donohoe, R.

    1995-12-31

    Di-ortho polychlorinated biphenyls (PCBs) are prominent environmental contaminants and their interaction with the thyroidal axis may be more significant in fish than previously thought. Four weeks after ip injection with 50 or 250 mg 2HCB/kg or 5 or 25 mg 3HCB/kg, rainbow trout plasma and liver microsomes were prepared. Plasma T4 levels were increased in 50 but not 250 mg 2HCB/kg treated fish. Plasma T4 levels were unchanged in 3HCB treated fish. Liver microsome ethoxyresorufin deethylase (EROD) activity increased with 2HCB dose. EROD increased after the low but not the high 3HCB dose. Western immunoblotting us 1A trout-anti-rabbit primary antibody showed a 2HCB and 3HCB dose related increase. In another experiment, twelve weeks after ip injection was 25 or 100 mg 3HCB/kg, rainbow trout plasma, thyroidal tissue, and liver microsomes were prepared. Plasma T4 levels were increased in 25 not 100 mg 3HCB/kg treated fish. Thyroid follicle cell height was increased in 25 but not 100 mg 3HCB/kg treated fish. Interaction with the receptor, as measured by cytochrome P450 1A induction, does not correlate with altered T4 plasma levels.

  19. RELAP5-3D Developmental Assessment: Comparison of Versions 4.0.3is and 2.4.2is

    SciTech Connect (OSTI)

    Paul D. Bayless

    2012-09-01

    Figures have been generated comparing the parameters used in the developmental assessment of the RELAP5-3D code using versions 4.0.3is and 2.4.2is. The figures, which are the same as those used in Volume III of the RELAP5-3D code manual, compare calculations using the semi-implicit solution scheme with available experiment data. These figures provide a quick, visual indication of how the code predictions changed between these two code versions and can be used to identify cases in which the assessment judgment may need to be changed in Volume III of the code manual. Changes to the assessment judgments made after reviewing all of the assessment cases are also provided.

  20. RELAP5-3D Developmental Assessment: Comparison of Versions 4.2.1i and 4.1.3i

    SciTech Connect (OSTI)

    Paul D. Bayless

    2014-06-01

    Figures have been generated comparing the parameters used in the developmental assessment of the RELAP5-3D code using versions 4.2.1i and 4.1.3i. The figures, which are the same as those used in Volume III of the RELAP5-3D code manual, compare calculations using the semi-implicit solution scheme with available experiment data. These figures provide a quick, visual indication of how the code predictions changed between these two code versions and can be used to identify cases in which the assessment judgment may need to be changed in Volume III of the code manual. Changes to the assessment judgments made after reviewing all of the assessment cases are also provided.

  1. Process for manufacturing bis(2-methoxyethyl)-2,3,6,7-tetracyano-1,4,5,8,9,10-hexazaanthracene

    DOE Patents [OSTI]

    Rasmussen, Paul George; Lawton, Richard Graham

    2014-06-03

    A process to manufacture substituted tetracyano-hexaazatricyclics with the substitutions occurring at the 9 and 10 hydrogens. The process begins with 2,3-dichloro-5,6-dicyanopyrazine, which is reacted to form the desired tetracyano-hexaazatricyclic. Different process embodiments enable different reaction paths to the desired tetracyano-hexaazatricyclic. Different tetracyano-hexaazatricyclic embodiments include bis(2-methoxyethyl)-2,3,6,7-tetracyano-1,4,5,8,9,10-hexazaanthracene and bis(2-methoxyethoxyethyl)-2,3,6,7-tetracyano-1,4,5,8,9,10-hexazaanthracen- e.

  2. Accelerators (3/5)

    SciTech Connect (OSTI)

    2009-07-07

    1a) Introduction and motivation 1b) History and accelerator types 2) Transverse beam dynamics 3a) Longitudinal beam dynamics 3b) Figure of merit of a synchrotron/collider 3c) Beam control 4) Main limiting factors 5) Technical challenges Prerequisite knowledge: Previous knowledge of accelerators is not required.

  3. Accelerators (3/5)

    ScienceCinema (OSTI)

    None

    2011-10-06

    1a) Introduction and motivation 1b) History and accelerator types 2) Transverse beam dynamics 3a) Longitudinal beam dynamics 3b) Figure of merit of a synchrotron/collider 3c) Beam control 4) Main limiting factors 5) Technical challenges Prerequisite knowledge: Previous knowledge of accelerators is not required.

  4. Spectroscopic studies and structure of 3-methoxy-2 -[(2,4,4,6,6-pentachloro-1,3,5,2{lambda}{sup 5},4{lambda}{sup 5},6{lambda}{sup 5}-triazatriphosphin-2-yl)oxy] benzaldehyde

    SciTech Connect (OSTI)

    Oezay, H.; Yildiz, M.; Uenver, H.; Durlu, T. N.

    2013-01-15

    The compound called 3-methoxy-2- [(2,4,4,6,6-pentachloro-1,3,5,2{lambda}{sup 5},4{lambda}{sup 5},6{lambda}{sup 5}-triazatriphosphin-2-yl)oxy] benzaldehyde has been synthesized from the reaction of 2-hydroxy-3-methoxybenzaldehyde with hexachlorocyclotriphosphazene. It has been characterized by elemental analysis, MS, IR, {sup 1}H NMR, {sup 13}C NMR, {sup 31}P NMR and UV-visible spectroscopic techniques. The structure of the title compound has been determind by X-ray analysis. Crystals are orthorhombic, space group P2{sub 1}2{sub 1}2{sub 1}, Z = 4, a = 7.705(1), b = 12.624(1), c = 17.825(2) A, R{sub 1} = 0.0390 and wR{sub 2} = 0.1074 [I > 2{sigma}(I)], respectively.

  5. RELAP5/MOD3 code manual. Volume 4, Models and correlations

    SciTech Connect (OSTI)

    1995-08-01

    The RELAP5 code has been developed for best-estimate transient simulation of light water reactor coolant systems during postulated accidents. The code models the coupled behavior of the reactor coolant system and the core for loss-of-coolant accidents and operational transients such as anticipated transient without scram, loss of offsite power, loss of feedwater, and loss of flow. A generic modeling approach is used that permits simulating a variety of thermal hydraulic systems. Control system and secondary system components are included to permit modeling of plant controls, turbines, condensers, and secondary feedwater systems. RELAP5/MOD3 code documentation is divided into seven volumes: Volume I presents modeling theory and associated numerical schemes; Volume II details instructions for code application and input data preparation; Volume III presents the results of developmental assessment cases that demonstrate and verify the models used in the code; Volume IV discusses in detail RELAP5 models and correlations; Volume V presents guidelines that have evolved over the past several years through the use of the RELAP5 code; Volume VI discusses the numerical scheme used in RELAP5; and Volume VII presents a collection of independent assessment calculations.

  6. Structural homologies of component C5 of human complement with components C3 and C4 by neutron scattering

    SciTech Connect (OSTI)

    Perkins, S.J.; Smith, K.F.; Nealis, A.S.; Lachmann, P.J.; Harrison, R.A. )

    1990-02-06

    The complement component C5 is one of a family of structurally related plasma proteins that includes components C3 and C4. Activation of C5 is the initial step in the formation of the membrane attack complex of complement. Analysis of the solution structure of C5 and comparisons with similar analyses of the structures of C3 and C4 are reported here. Neutron solution scattering gave an Mr for C5 of 201,000, which demonstrates that C5 is monomeric in solution. The radius of gyration RG of C5 at infinite contrast is 4.87 nm and corresponds to an elongated structure. The longest length of C5 was determined to be at least 15-16 nm from three calculations on the basis of the RG, the scattering intensity at zero angle I(0), and the indirect transformation of the scattering curve into real space. Comparison of the RG and contrast variation data and indirect transformations of the scattering curves for C3, C4, and C5 show that these have very similar structures. Comparisons of the C5 scattering curve with Debye small-sphere models previously employed for C4 and C3 show that good curve fits could be obtained. Unlike previous studies that have suggested significant differences, these experiments indicate that, while C5 differs from C3 and C4 in its activation and inactivation pathways, significant structural homology exists between the native proteins, as might be predicted from their high (and similar) sequence homology.

  7. Microstructure study of the rare-earth intermetallic compounds R5(SixGe1-x)4 and R5(SixGe1-x)3

    SciTech Connect (OSTI)

    Cao, Qing

    2012-07-26

    }){sub 3} (“5:3”) phase and possess the same reported orientation relationship that exists for the Gd{sub 5}Ge{sub 4} and Gd{sub 5}Si{sub 2}Ge{sub 2} compounds, i.e. [010](102̅){sub m} || [101̅0](12̅11){sub p}. Additionally, the phase identification in (Er{sub 0.9}Lu{sub 0.1}){sub 5}Si{sub 4} carried out using X-ray powder diffraction (XRD) techniques revealed that the low amount of 5:3 phase is undetectable in a conventional laboratory Cu Kα diffractometer due to detection limitations, but that extremely low amounts of the 5:3 phase can be detected using high resolution powder diffraction (HRPD) employing a synchrotron source. These results suggest that use of synchrotron radiation for the study of R{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} compounds should be favored over conventional XRD for future investigations. The phase stability of the thin 5:3 plates in a Gd{sub 5}Ge{sub 4} sample was examined by performing long-term annealing at very high temperature. The experimental results indicate the plates are thermally unstable above 1200˚C. While phase transformation of 5:3 to 5:4 occurs during the annealing, the phase transition is still fairly sluggish, being incomplete even after 24 hours annealing at this elevated temperature. Additional experiments using laser surface melting performed on the surface of a Ho{sub 5}(Si{sub 0.8}Ge{sub 0.}2){sub 4} sample showed that rapid cooling will suppress the precipitation of 5:3 plates. Bulk microstructure studies of polycrystalline and monocrystalline Gd{sub 5}Ge{sub 3} compounds examined using optical microscopy, SEM and TEM also show a series of linear features present in the Gd{sub 5}Ge{sub 3} matrix, similar in appearance in many ways to the 5:3 plates observed in R{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} compounds. A systematic microscopy analysis of these linear features revealed they also are thin plates with a stoichiometric composition of Gd{sub 5}Ge{sub 4} with an orthorhombic structure. The orientation relationship

  8. Vicarious nucleophilic substitution to prepare 1,3-diamino-2,4,6-trinitrobenzene or 1,3,5-triamino-2,4,6-trinitrobenzene

    DOE Patents [OSTI]

    Mitchell, Alexander R. (Livermore, CA); Pagoria, Philip F. (Livermore, CA); Schmidt, Robert D. (Livermore, CA)

    1996-01-01

    The present invention relates to a process to produce 1,3-diamino-2,4,6-trinitrobenzene (DATB) or 1,3,5-triamino-2,4,6,-trinitrobenzene (TATB) by: (a) reacting at ambient pressure and a temperature of between about 0.degree. and 50.degree. C. for between about 0.1 and 24 hr, a trinitroaromatic compound of structure V: ##STR1## wherein X, Y, and Z are each independently selected from --H, or --NH.sub.2, with the proviso that at least 1 or 2 of X, Y, and Z are hydrogen, with an amount effective to produce DATB or TATB of 1,1,1-trialkylhydrazinium halide wherein alkyl is selected from methyl, ethyl, propyl or butyl and halide is selected from chloride, bromide or iodide. in the presence of a strong base selected from sodium butoxide, potassium butoxide, potassium propoxide, sodium propoxide, sodium ethoxide, potassium ethoxide, sodium methoxide, potassium methoxide, and combinations thereof; in a solvent selected from the group consisting of methanol, ethanol, propanol, butanol, dimethylsulphoxide, N-methylpyrrolidone, hexamethylphosphoramide, dimethylformide, dimethylacetamide and mixtures thereof, provided that when alcohols are present primarily DATB and picramide is formed; and (b) isolating the DATB or TATB produced. DATB and TATB are useful specialty explosives. TATB is also used for the preparation of benzenehexamine, a starting material for the synthesis of novel materials (optical imaging devices, liquid crystals, ferromagnetic compounds).

  9. Vicarious nucleophilic substitution to prepare 1,3-diamino-2,4,6-trinitrobenzene or 1,3,5-triamino-2,4,6-trinitrobenzene

    DOE Patents [OSTI]

    Mitchell, A.R.; Pagoria, P.F.; Schmidt, R.D.

    1996-10-29

    The present invention relates to a process to produce 1,3-diamino-2,4,6-trinitrobenzene (DATB) or 1,3,5-triamino-2,4,6,trinitrobenzene (TATB) by: (a) reacting at ambient pressure and a temperature of between about 0 and 50 C for between about 0.1 and 24 hr, a trinitroaromatic compound of the structure shown within where X, Y, and Z are each independently selected from --H, or --NH{sub 2}, with the proviso that at least 1 or 2 of X, Y, and Z are hydrogen, with an amount effective to produce DATB or TATB, or 1,1,1-trialkylhydrazinium halide wherein alkyl is selected from methyl, ethyl, propyl or butyl and halide is selected from chloride, bromide or iodide, in the presence of a strong base selected from sodium butoxide, potassium butoxide, potassium propoxide, sodium propoxide, sodium ethoxide, potassium ethoxide, sodium methoxide, potassium methoxide, and combinations thereof; in a solvent selected from the group consisting of methanol, ethanol, propanol, butanol, dimethylsulfoxide, N-methylpyrrolidone, hexamethylphosphoramide, dimethylformide, dimethylacetamide and mixtures thereof, provided that when alcohols are present primarily DATB and picramide is formed; and (b) isolating the DATB or TATB produced. DATB and TATB are useful specialty explosives. TATB is also used for the preparation of benzenehexamine, a starting material for the synthesis of novel materials (optical imaging devices, liquid crystals, ferromagnetic compounds).

  10. Stark and Zeeman effect in the [18.6]3.5 – X(1)4.5 transition of uranium monofluoride, UF

    SciTech Connect (OSTI)

    Linton, C.; Adam, A. G.; Steimle, T. C.

    2014-06-07

    High resolution spectra of the 0-0 band of the [18.6]3.5 – X(1)4.5 transition of uranium monofluoride, UF, obtained using a laser ablation spectrometer, showed a perturbation in the upper state. Examination of the Stark and Zeeman effects yielded permanent electric dipole moments of 2.01 and 1.88 D and magnetic g-factors of 3.28 and 3.26 for the ground and excited states, respectively. Both the dipole moment and g-factor of the ground state are in good agreement with ab initio calculations [I. O. Antonov and M. C. Heaven, J. Phys. Chem. A 117, 9684 (2013)]. The Zeeman effect results confirm that the ground state arises primarily from the U{sup +}(5f {sup 3}7s{sup 24}I{sub 4.5})F{sup −} configuration and suggest several possible configurations for the upper state.

  11. Production of the ammonium salt of 3,5-dinitro-1,2,4-triazole by solvent extraction

    DOE Patents [OSTI]

    Lee, K.Y.; Ott, D.G.

    1979-11-07

    The ammonium salt of 3,5-dinitro-1,2,4-triazole has utility as a chemical explosive. In accordance with the present invention, it may readily be produced by solvent extraction using high-molecular weight, water-insoluble amines, followed by amination with anhydrous ammonia gas. The aqueous reaction mixture produced in the synthesis of the parent compound, 3,5-dinitro-1,2,4-triazole, is quite suitable - and indeed is preferred - for use as the feed material in the process of the invention.

  12. Production of the ammonium salt of 3,5-dinitro-1,2,4-triazole by solvent extraction

    DOE Patents [OSTI]

    Lee, Kien Y. (Los Alamos, NM); Ott, Donald G. (Los Alamos, NM)

    1980-01-01

    The ammonium salt of 3,5-dinitro-1,2,4-triazole has utility as a chemical explosive. In accordance with the present invention, it may readily be produced by solvent extraction using high-molecular weight, water-insoluble amines followed by amination with anhydrous ammonia gas. The aqueous reaction mixture produced in the synthesis of the parent compound, 3,5-dinitro-1,2,4-triazole, is quite suitable--and indeed is preferred--for use as the feed material in the process of the invention.

  13. Linkage and association of haplotypes at the APOA1/C3/A4/A5 genecluster to familial combined hyperlipidemia

    SciTech Connect (OSTI)

    Eichenbaum-Voline, Sophie; Olivier, Michael; Jones, Emma L.; Naoumova, Rossitza P.; Jones, Bethan; Gau, Brian; Seed, Mary; Betteridge,D. John; Galton, David J.; Rubin, Edward M.; Scott, James; Shoulders,Carol C.; Pennacchio, Len A.

    2002-09-15

    Combined hyperlipidemia (CHL) is a common disorder of lipidmetabolism that leads to an increased risk of cardiovascular disease. Thelipid profile of CHL is characterised by high levels of atherogeniclipoproteins and low levels of high-density-lipoprotein-cholesterol.Apolipoprotein (APO) A5 is a newly discovered gene involved in lipidmetabolism located within 30kbp of the APOA1/C3/A4 gene cluster. Previousstudies have indicated that sequence variants in this cluster areassociated with increased plasma lipid levels. To establish whethervariation at the APOA5 gene contributes to the transmission of CHL, weperformed linkage and linkage disequilibrium (LD) tests on a large cohortof families (n=128) with familial CHL (FCHL). The linkage data producedevidence for linkage of the APOA1/C3/A4/A5 genomic interval to FCHL (NPL= 1.7, P = 0.042). The LD studies substantiated these data. Twoindependent rare alleles, APOA5c.56G and APOC3c.386G of this gene clusterwere over-transmitted in FCHL (P = 0.004 and 0.007, respectively), andthis was associated with a reduced transmission of the most commonAPOA1/C3/A4/A5 haplotype (frequency 0.4425) to affected subjects (P =0.013). The APOA5c.56G allele was associated with increased plasmatriglyceride levels in FCHL probands, whereas the second, andindependent, APOC3c.386G allele was associated with increased plasmatriglyceride levels in FCHL pedigree founders. Thus, this allele (or anallele in LD) may mark a quantitative trait associated with FCHL, as wellas representing a disease susceptibility locus for the condition. Thisstudy establishes that sequence variation in the APOA1/C3/A4/A5 genecluster contributes to the transmission of FCHL in a substantialproportion of affected families, and that these sequence variants mayalso contribute to the lipid abnormalities of the metabolic syndrome,which is present in up to 40 percent of persons with cardiovasculardisease.

  14. Resveratrol analogue 3,4,4?,5-tetramethoxystilbene inhibits growth, arrests cell cycle and induces apoptosis in ovarian SKOV?3 and A-2780 cancer cells

    SciTech Connect (OSTI)

    Piotrowska, Hanna; Myszkowski, Krzysztof; Zi?kowska, Alicja; Kulcenty, Katarzyna; Wierzchowski, Marcin; Kaczmarek, Mariusz; Murias, Marek; Kwiatkowska-Borowczyk, Eliza; Department of Cancer Diagnostics and Immunology, Greater Poland Cancer Centre, Poznan ; Jodynis-Liebert, Jadwiga

    2012-08-15

    In the screening studies, cytotoxicity of 12 methylated resveratrol analogues on 11 human cancer cell lines was examined. The most active compound 3,4,4?5-tetramethoxystilbene (DMU-212) and two ovarian cancer cell lines A-2780 (IC{sub 50} = 0.71 ?M) and SKOV-3 (IC{sub 50} = 11.51 ?M) were selected for further investigation. To determine the mechanism of DMU-212 cytotoxicity, its ability to induce apoptosis was examined. DMU-212 arrested cell cycle in the G2/M or G0/G1 phase which resulted in apoptosis of both cell lines. The expression level of 84 apoptosis-related genes was investigated. In SKOV-3 cells DMU-212 caused up-regulation of pro-apoptotic Bax, Apaf-1 and p53 genes, specific to intrinsic pathway of apoptosis, and a decrease in Bcl-2 and Bcl 2110 mRNA expressions. Conversely, in A-2780 cells an increased expression of pro-apoptotic genes Fas, FasL, TNF, TNFRSF10A, TNFRSF21, TNFRSF16 specific to extracellular mechanism of apoptosis was observed. There are no data published so far regarding the receptor mediated apoptosis induced by DMU-212. The activation of caspase-3/7 was correlated with decreased TRAF-1 and BIRC-2 expression level in A-2780 cells exposed to DMU-212. DMU-212 caused a decrease in CYP1A1 and CYP1B1 mRNA levels in A-2780 by 50% and 75%, and in SKOV-3 cells by 15% and 45%, respectively. The protein expression was also reduced in both cell lines. It is noteworthy that the expression of CYP1B1 protein was entirely inhibited in A-2780 cells treated with DMU-212. It can be suggested that different CYP1B1 expression patterns in either ovarian cell line may affect their sensitivity to cytotoxic activity of DMU-212. -- Highlights: ? DMU-212 was the most cytotoxic among 12 O-methylated resveratrol analogues. ? DMU-212 arrested cell cycle at G2/M and G0/G1phase ? DMU-212 triggered mitochondria- and receptor?mediated apoptosis. ? DMU-212 entirely inhibited CYP1B1 protein expression in A-2780 cells.

  15. SEP Request for Approval Form 5 - Model Does Not Satisfy 3.4...

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

    KB) More Documents & Publications SEP Request for Approval Form 3 - Other Complex Regression Model Rationale SEP Request for Approval Form 7 - Other Situations for Consumption ...

  16. RELAP5-3D Developmental Assessment: Comparison of Version 4.2.1i on Linux and Windows

    SciTech Connect (OSTI)

    Paul D. Bayless

    2014-06-01

    Figures have been generated comparing the parameters used in the developmental assessment of the RELAP5-3D code, version 4.2i, compiled on Linux and Windows platforms. The figures, which are the same as those used in Volume III of the RELAP5-3D code manual, compare calculations using the semi-implicit solution scheme with available experiment data. These figures provide a quick, visual indication of how the code predictions differ between the Linux and Windows versions.

  17. Vicarious nucleophilic substitution using 4-amino-1,2,4-triazole, hydroxylamine or O-alkylhydroxylamine to prepare 1,3-diamino-2,4,6-trinitrobenzene or 1,3,5-triamino-2,4,6-trinitrobenzene

    DOE Patents [OSTI]

    Mitchell, A.R.; Pagoria, P.F.; Schmidt, R.D.

    1997-05-27

    The present invention relates to a process to produce 1,3-diamino-2,4,6-trinitrobenzene (DATB) or 1,3,5-triamino-2,4,6,trinitrobenzene (TATB) by: (a) reacting at ambient pressure and a temperature of between about 0 and 50 C for between about 0.1 and 24 hr, a trinitroaromatic compound of the structure shown where X, Y, and Z are each independently selected from the group consisting of -H and -NH{sub 2}, with the proviso that at least 1 or 2 of X, Y, and Z are hydrogen; with an effective amount of 1-amino-1,2,4-triazole, hydroxylamine or O-alkylhydroxamine to produce DATB or TATB; in the presence of a strong base selected from sodium butoxide, potassium butoxide, potassium propoxide, sodium propoxide, sodium ethoxide, potassium ethoxide, sodium methoxide, potassium methoxide, and combinations thereof; in a solvent selected from the group consisting of methanol, ethanol, propanol, butanol, dimethylsulphoxide, N-methylpyrrolidone, hexamethylphosphoramide, dimethylformide, dimethylacetamide and mixtures thereof, provided that when alcohols are present or when hydroxylamine or its O-alkyl derivatives replace ATA primarily DATB is formed; and (b) isolating the DATB or TATB produced. DATB and TATB are important and useful specialty explosives and intermediates for other materials.

  18. Vicarious nucleophilic substitution using 4-amino-1,2,4-triazole, hydroxylamine or O-alkylhydroxylamine to prepare 1,3-diamino-2,4,6-trinitrobenzene or 1,3,5-triamino-2,4,6-trinitrobenzene

    DOE Patents [OSTI]

    Mitchell, Alexander R.; Pagoria, Philip F.; Schmidt, Robert D.

    1997-01-01

    The present invention relates to a process to produce 1,3-diamino-2,4,6-trinitrobenzene (DATB) or 1,3,5-triamino-2,4,6,-trinitrobenzene (TATB) by: (a) reacting at ambient pressure and a temperature of between about 0.degree. and 50.degree. C. for between about 0.1 and 24 hr, a trinitroaromatic compound of structure V: ##STR1## wherein X, Y, and Z are each independently selected from the group consisting of --H and --NH.sub.2, with the proviso that at least 1 or 2 of X, Y, and Z are hydrogen; with an effective amount of 1-amino-1,2,4-triazole, hydroxylamine or O-alkylhydroxamine to produce DATB or TATB; in the presence of a strong base selected from sodium butoxide, potassium butoxide, potassium propoxide, sodium propoxide, sodium ethoxide, potassium ethoxide, sodium methoxide, potassium methoxide, and combinations thereof; in a solvent selected from the group consisting of methanol, ethanol, propanol, butanol, dimethylsulphoxide, N-methylpyrrolidone, hexamethylphosphoramide, dimethylformide, dimethylacetamide and mixtures thereof, provided that when alcohols are present or when hydroxylamine or its O-alkyl derivatives replace ATA primarily DATB is formed; and (b) isolating the DATB or TATB produced. DATB and TATB are important and useful specialty explosives and intermediates for other materials.

  19. Two lead(II) 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate complexes exhibiting different topologies and fluorescent properties

    SciTech Connect (OSTI)

    Chen Zilu; Yan Jiehua; Xing Huihui; Zhang Zhong; Liang Fupei

    2011-05-15

    The reactions of PbCl{sub 2} with 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (H{sub 3}iso) gave two complexes [Pb(H{sub 2}iso){sub 2}(H{sub 2}O)]{sub n} (1) and [Pb(Hiso)(H{sub 2}O)]{sub n} (2), which were characterized by IR spectroscopy, elemental analysis, thermogravimetric analysis, powder X-ray diffraction and single crystal X-ray diffraction analysis. The two complexes display different topologies. 1 shows a three-dimensional framework with the Schlaefli symbol (4.8{sup 5})(4.8{sup 2}) no matter if the weak Pb-O bonds are included or not. However, 2 presents a 3,3-connected two-dimensional sheet with the Schlaefli symbol (4.8{sup 2})(4.8{sup 2}) based on the calculation of only the normal Pb-O bonds and a 5,5-connected 3D network with the Schlaefli symbol (4{sup 15}.6{sup 4})(4{sup 4}.6{sup 8}.8{sup 2}) when the weak Pb-O bonds are also included. The fluorescent studies reveal an emission attributed to intraligand emission for 1 and an emission assigned to LMCT for 2. -- Graphical abstract: The reactions of PbCl{sub 2} with 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (H{sub 3}iso) gave two complexes [Pb(H{sub 2}iso){sub 2}(H{sub 2}O)]{sub n} (1) and [Pb(Hiso)(H{sub 2}O)]{sub n} (2), which display different topologies and fluorescent properties. Display Omitted Highlights: {yields} Two Pb(II) complexes were prepared from the reactions of PbCl{sub 2} with the same ligand. {yields} The two title complexes display different topologies. {yields} Both normal and weak Pb-O bonds are discussed in the manuscript.{yields} The title two complexes show different fluorescent properties.

  20. (2R)-4-Oxo-4[3-(Trifluoromethyl)-5,6-diihydro:1,2,4}triazolo[4,3-a}pyrazin-7(8H)-y1]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes

    SciTech Connect (OSTI)

    Kim, D.; Wang, L.; Beconi, M.; Eiermann, G.; Fisher, M.; He, H.; Hickey, G.; Kowalchick, Jennifer; Leiting, Barbara; Lyons, K.; Marsilio, F.; McCann, F.; Patel, R.; Petrov, A.; Scapin, G.; Patel, S.; Roy, R.; Wu, J.; Wyvratt, M.; Zhang, B.; Zhu, L.; Thornberry, N.; Weber, A.

    2010-11-10

    A novel series of {beta}-amino amides incorporating fused heterocycles, i.e., triazolopiperazines, were synthesized and evaluated as inhibitors of dipeptidyl peptidase IV (DPP-IV) for the treatment of type 2 diabetes. (2R)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine (1) is a potent, orally active DPP-IV inhibitor (IC{sub 50} = 18 nM) with excellent selectivity over other proline-selective peptidases, oral bioavailability in preclinical species, and in vivo efficacy in animal models. MK-0431, the phosphate salt of compound 1, was selected for development as a potential new treatment for type 2 diabetes.

  1. Preparation of 3,3'-diamino-4,4'-azofurazan

    DOE Patents [OSTI]

    Hiskey, Michael A.; Chavez, David E.; Bishop, Robert L.; Kramer, John F.; Kinkead, Scott A.

    2003-04-22

    A method of preparing 3,3'-diamino-4,4'-azofurazan is provided together with a composition of matter including a mixture of 3,3'-diamino-4,4'-azofurazan and 1,3,5-triamino-2,4,6-trinitrobenzene.

  2. CO Substitution in HOs3(CO)10(l-SC6H4Me-4) by the Diphosphine 4,5-Bis(diphenylphosphino)-4-cyclopentadiene-1,3-dione (bpcd): Structural and DFT Evaluation of the Isomeric Clusters HOs3(CO)8(bpcd)(mu-SC6H4Me-4)

    SciTech Connect (OSTI)

    Yang, Li; Nesterov, Vladimir; Wang, Xiaoping; Richmond, Michael G.

    2012-01-01

    The reaction of the cluster HOs{sub 3}(CO){sub 10}({mu}-SC{sub 6}H{sub 4}Me-4) (1) with the diphosphine 4,5-bis(diphenylphosphino)-4-cyclopentadiene-1,3-dione (bpcd) has been investigated. 1 reacts with bpcd at room temperature in the presence of Me{sub 3}NO to give the isomeric clusters 1,2-HOs{sub 3}(CO)8(bpcd)({mu}-SC{sub 6}H{sub 4}Me-4) (2a) and 1,1-HOs{sub 3}(CO)8(bpcd)({mu}-SC{sub 6}H{sub 4}Me-4) (2b). Clusters 2a and 2b have been isolated, and the molecular structure of each compound has been established by X-ray crystallography. The X-ray structure of 2a confirms the coordination of one of the non-hydride-bridged Os-Os vectors by the bpcd ligand, while the structure of 2b exhibits a chelating bpcd ligand that is bound to one of the osmium centers ligated by the thiolate and hydrido ligands. 2a and 2b are stable in refluxing toluene and show no evidence for bridge-to-chelate isomerization of the ancillary bpcd ligand. DFT calculations on 2a and 2b indicate that the former cluster is the thermodynamically more stable isomer. Near-UV irradiation of 2b leads to CO loss and ortho metalation of the thiolate moiety, yielding the dihydride cluster H{sub 2}Os{sub 3}(CO)7(bpcd)({mu},{sigma}-SC{sub 6}H{sub 3}Me-4) (3). The conversion of 2b to 3 and free CO is computed to be endothermic by 14.1 kcal/mol and the reaction is driven by the entropic release of CO. The photochemically promoted ortho-metalation reaction is isomer dependent since cluster 2a is inert under identical conditions.

  3. Crystal structure of 1-methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea

    SciTech Connect (OSTI)

    Habibi, A. Ghorbani, H. S.; Bruno, G.; Rudbari, H. A.; Valizadeh, Y.

    2013-12-15

    The crystal structure of 1-Methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea (C{sub 9}H{sub 12}N{sub 2}O{sub 5}) has been determined by single crystal X-ray diffraction analysis. The crystals are monoclinic, a = 5.3179(2), b = 18.6394(6), c =10.8124(3) , ? = 100.015(2), Z = 4, sp. gr. P2{sub 1}/c, R = 0.0381 for 2537 reflections with I > 2?(I). Except for C(CH{sub 3}){sub 2} group, the molecule is planar. The structure is stabilized by inter- and intramolecular N-H...O hydrogen bonds and weak C-H...O interactions.

  4. Organometallic complexes of bulky, optically active, C3-symmetric tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)

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

    Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.

    2015-07-16

    A bulky, optically active monoanionic scorpionate ligand, tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*), is synthesized from the naturally occurring amino acid l-valine as its lithium salt, Li[ToP*] (1). That compound is readily converted to the thallium complex Tl[ToP*] (2) and to the acid derivative H[ToP*] (3). Group 7 tricarbonyl complexes ToP*M(CO)3 (M = Mn (4), Re (5)) are synthesized by the reaction of MBr(CO)5 and Li[ToP*] and are crystallographically characterized. The νCO bands in their infrared spectra indicate that π back-donation in the rhenium compounds is greater with ToP* than with non-methylated tris(4S-isopropyl-2-oxazolinyl)phenylborate (ToP). The reaction of H[ToP*] and ZnEt2 gives ToP*ZnEt (6), whilemore » ToP*ZnCl (7) is synthesized from Li[ToP*] and ZnCl2. The reaction of ToP*ZnCl and KOtBu followed by addition of PhSiH3 provides the zinc hydride complex ToP*ZnH (8). In this study, compound 8 is the first example of a crystallographically characterized optically active zinc hydride. We tested its catalytic reactivity in the cross-dehydrocoupling of silanes and alcohols, which provided Si-chiral silanes with moderate enantioselectivity.« less

  5. X-ray diffraction, spectroscopic and DFT studies of 1-(4-bromophenyl)-3,5-diphenylformazan

    SciTech Connect (OSTI)

    Tezcan, H.; Tokay, N.; Alpaslan, G.; Erdnmez, A.

    2013-12-15

    The crystal structure of 1-(4-bromophenyl)-3,5-diphenylformazan was determined by X-ray single crystal diffraction technique. The crystals are orthorhombic, a = 23.0788(9), b = 7.9606(3), c = 18.6340(12) , Z = 8, sp. gr. Pbca, R{sub 1} = 0.074. The structure was also examined using the density-functional theory. Its structure stability, and frontier molecular orbital components were discussed and the results were compared with X-ray and spectral results. The maximum absorbtion peaks of the UV-vis spectrum of the compound have been calculated using the time-dependent density-functional theory. It was found a good agreement between the calculated and experimental maximum absorption wavelength.

  6. Structural and Magnetothermal Properties of Compounds: Yb5SixGe4-x,Sm5SixGe4-x, EuO, and Eu3O4

    SciTech Connect (OSTI)

    Kyunghan Ahn

    2007-05-09

    The family of R{sub 5}Si{sub x}Ge{sub 4-x} alloys demonstrates a variety of unique physical phenomena related to magneto-structural transitions associated with reversible breaking and reforming of specific bonds that can be controlled by numerous external parameters such as chemical composition, magnetic field, temperature, and pressure. Therefore, R{sub 5}Si{sub x}Ge{sub 4-x} systems have been extensively studied to uncover the mechanism of the extraordinary magneto-responsive properties including the giant magnetoresistance (GMR) and colossal magnetostriction, as well as giant magnetocaloric effect (GMCE). Until now, more than a half of possible R{sub 5}Si{sub x}Ge{sub 4-x} pseudobinary systems have been completely or partially investigated with respect to their crystallography and phase relationships (R = La, Pr, Nd, Gd, Tb, Dy, Er, Lu, Y). Still, there are other R{sub 5}Si{sub x}Ge{sub 4-x} systems (R = Ce, Sm, Ho, Tm, and Yb) that are not studied yet. Here, we report on phase relationships and structural, magnetic, and thermodynamic properties in the Yb{sub 5}Si{sub x}Ge{sub 4-x} and Sm{sub 5}Si{sub x}Ge{sub 4-x} pseudobinary systems, which may exhibit mixed valence states. The crystallography, phase relationships, and physical properties of Yb{sub 5}Si{sub x}Ge{sub 4-x} alloys with 0 {le} x {le} 4 have been examined by using single crystal and powder x-ray diffraction at room temperature, and dc magnetization and heat capacity measurements between 1.8 K and 400 K in magnetic fields ranging from 0 to 7 T. Unlike the majority of R{sub 5}Si{sub x}Ge{sub 4-x} systems studied to date, where R is the rare earth metal, all Yb-based germanide-silicides with the 5:4 stoichiometry crystallize in the same Gd{sub 5}Si{sub 4}-type structure. The magnetic properties of Yb{sub 5}Si{sub x}Ge{sub 4-x} materials are nearly composition-independent, reflecting the persistence of the same crystal structure over the whole range of x from 0 to 4. Both the crystallographic and

  7. Data:Ae3cd3b5-369c-4ef5-a089-9be6f92e16fa | Open Energy Information

    Open Energy Info (EERE)

    ef5-a089-9be6f92e16fa No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic...

  8. The equation of state of 5-nitro-2,4-dihydro-1,2,4,-triazol-3-one determined via in-situ optical microscopy and interferometry measurements

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

    Stavrou, Elissaios; Zaug, Joseph M.; Bastea, Sorin; Crowhurst, Jonathan C.

    2016-04-07

    Quasi-hydrostatic high-pressure equations of state (EOS) are typically determined, for crystalline solids, by measuring unit-cell volumes using x-ray diffraction (XRD) techniques. However, when characterizing low-symmetry materials with large unit cells, conventional XRD approaches may become problematic. To overcome this issue, we examined the utility of a "direct" approach toward determining high pressure material volume by measuring surface area and sample thickness using optical microscopy and interferometry (OMI) respectively. We have validated this experimental approach by comparing results obtained for TATB (2,4,6-triamino-1,3,5-trinitrobenzene) with an EOS determined from synchrotron XRD measurements; and, a good match is observed. We have measured the highmore » pressure EOS of 5-nitro-2,4-dihydro-1,2,4-triazol-3-one (α-NTO) up to 33 GPa. No high-pressure XRD EOS data have been published on α-NTO, probably due to its complex crystal structure. Furthermore, the results of this study suggest that OMI is a reliable and versatile alternative for determining EOSs, especially when conventional methodologies are impractical.« less

  9. Synthesis and crystal structure studies of ethyl 5-methyl-1, 3-diphenyl-1H-pyrazole-4-carboxylate

    SciTech Connect (OSTI)

    Chandra,; Babu, E. A. Jithesh; Mahendra, M.; Srikantamurthy, N.; Umesha, K. B.

    2014-04-24

    The title compound, C{sub 19}H{sub 18}N{sub 2}O{sub 2}, was investigated by single crystal X-ray diffraction method. It crystallizes in monoclinic class under the space group P2{sub 1}/c with cell parameters a= 8.4593(4) Å, b=15.6284(6) Å, c=12.4579(5) Å, α=90°, β=98.241(3)°, γ=90° and Z=2. The ethoxycarbonyl group is slightly twisted from the pyrazole ring, and adopts syn-periplanar conformation. The crystal structure is stabilized by intermolecular C-H….O hydrogen bonds, which help in stabilizing the crystal structure.

  10. CRC DEPLETION CALCULATIONS FOR THE NON-RODDED ASSEMBLIES IN BATCHES 4 AND 5 OF CRYSTAL RIVER UNIT 3

    SciTech Connect (OSTI)

    Kenneth D. Wright

    1997-07-30

    The purpose of this design analysis is to document the SAS2H depletion calculations of certain non-rodded fuel assemblies from batches 4 and 5 of the Crystal River Unit 3 pressurized water reactor (PWR) that are required for commercial Reactor Critical (CRC) evaluations to support the development of the disposal criticality methodology. A non-rodded assembly is one which never contains a control rod assembly (CRA) or an axial power shaping rod assembly (APSRA) during its irradiation history. The objective of this analysis is to provide SAS2H generated isotopic compositions for each fuel assembly's depleted fuel and depleted burnable poison materials. These SAS2H generated isotopic compositions are acceptable for use in CRC benchmark reactivity calculations containing the various fuel assemblies.

  11. THE GREAT OBSERVATORIES ORIGINS DEEP SURVEY: CONSTRAINTS ON THE LYMAN CONTINUUM ESCAPE FRACTION DISTRIBUTION OF LYMAN-BREAK GALAXIES AT 3.4 < z < 4.5

    SciTech Connect (OSTI)

    Vanzella, E.; Nonino, M.; Fontanot, F.; Cristiani, S.; Tozzi, P.; Giavalisco, M.; Inoue, A. K.; Grazian, A.; Giallongo, E.; Boutsia, K.; Fontana, A.; Pentericci, L.; Dickinson, M.; Stern, D.; Ferguson, H.; Spinrad, H.; Rosati, P.

    2010-12-10

    We use ultra-deep ultraviolet VLT/VIMOS intermediate-band and VLT/FORS1 narrowband imaging in the GOODS Southern field to derive limits on the distribution of the escape fraction (f{sub esc}) of ionizing radiation for L {>=} L*{sub z=3} Lyman-break galaxies (LBGs) at redshift 3.4-4.5. Only one LBG, at redshift z = 3.795, is detected in its Lyman continuum (LyC; S/N {approx_equal} 5.5), the highest redshift galaxy currently known with a direct detection. Its ultraviolet morphology is quite compact (R{sub eff} = 0.8 kpc physical). Three out of seven active galactic nuclei are also detected in their LyC, including one at redshift z = 3.951 and z{sub 850} = 26.1. From stacked data (LBGs), we set an upper limit to the average f{sub esc} in the range 5%-20%, depending on how the data are selected (e.g., by magnitude and/or redshift). We undertake extensive Monte Carlo simulations that take into account intergalactic attenuation, stellar population synthesis models, dust extinction, and photometric noise in order to explore the moments of the distribution of the escaping radiation. Various distributions (exponential, log-normal, and Gaussian) are explored. We find that the median f{sub esc} is lower than {approx_equal}6% with an 84% percentile limit not larger than 20%. If this result remains valid for fainter LBGs down to current observational limits, then the LBG population might be not sufficient to account for the entire photoionization budget at the redshifts considered here, with the exact details dependent upon the assumed ionizing background and QSO contribution thereto. It is possible that f{sub esc} depends on the UV luminosity of the galaxies, with fainter galaxies having higher f{sub esc}, and estimates of f{sub esc} from a sample of faint LBGs from HUDF (i{sub 775} {<=}28.5) are in broad quantitative agreement with such a scenario.

  12. YAC contigs mapping the human COL4A5 and COL4A6 genes and DXS118 within Xq21.3-q22

    SciTech Connect (OSTI)

    Srivastava, A.K.; Featherstone, T.; Wein, K.

    1995-04-10

    Sequence-tagged sites (STSs) were developed for three loci of uncertain X chromosomal localization (DXS122, DXS137, and DXS174) and were used to seed YAC contigs. Two contigs now total about 3.3 Mb formatted with 34 STSs. One contains DXS122 and DXS174 within 250 kb on single YACs; it is placed in Xq21.3-q22.1 by FISH analysis, which is consistent with somatic cell hybrid panel analyses and with the inclusion of a probe that detects polymorphism at the DXS118 locus already assigned to that general region. The other contig, which contains DXS137, is in Xq22.2 by FISH, consistent with cell hybrid analyses and with the finding that it covers the human COL4A5 and COL4A6 genes known to be in that vicinity. In addition to extending the cloned coverage of this portion of the X chromosome, these materials should aid, for example, in the further analysis of Alport syndrome. 50 refs., 2 figs., 2 tabs.

  13. (4-Methoxyphenyl)(3,4,5-trimethoxyphenyl)methanone inhibits tubulin polymerization, induces G{sub 2}/M arrest, and triggers apoptosis in human leukemia HL-60 cells

    SciTech Connect (OSTI)

    Magalhães, Hemerson I.F.; Wilke, Diego V.; Bezerra, Daniel P.; Cavalcanti, Bruno C.; Rotta, Rodrigo; Lima, Dênis P. de; Beatriz, Adilson; Moraes, Manoel O.; Diniz-Filho, Jairo; Pessoa, Claudia

    2013-10-01

    (4-Methoxyphenyl)(3,4,5-trimethoxyphenyl)methanone (PHT) is a known cytotoxic compound belonging to the phenstatin family. However, the exact mechanism of action of PHT-induced cell death remains to be determined. The aim of this study was to investigate the mechanisms underlying PHT-induced cytotoxicity. We found that PHT displayed potent cytotoxicity in different tumor cell lines, showing IC{sub 50} values in the nanomolar range. Cell cycle arrest in G{sub 2}/M phase along with the augmented metaphase cells was found. Cells treated with PHT also showed typical hallmarks of apoptosis such as cell shrinkage, chromatin condensation, phosphatidylserine exposure, increase of the caspase 3/7 and 8 activation, loss of mitochondrial membrane potential, and internucleosomal DNA fragmentation without affecting membrane integrity. Studies conducted with isolated tubulin and docking models confirmed that PHT binds to the colchicine site and interferes in the polymerization of microtubules. These results demonstrated that PHT inhibits tubulin polymerization, arrests cancer cells in G{sub 2}/M phase of the cell cycle, and induces their apoptosis, exhibiting promising anticancer therapeutic potential. - Highlights: • PHT inhibits tubulin polymerization. • PHT arrests cancer cells in G{sub 2}/M phase of the cell cycle. • PHT induces caspase-dependent apoptosis.

  14. Data:5c21e410-1432-4f35-b5d1-e0e3eefd8018 | Open Energy Information

    Open Energy Info (EERE)

    b5d1-e0e3eefd8018 No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic...

  15. Compliance testing of Grissom AFB Central Heating Plant coal-fired boilers 3 and 5, Grissom AFB, Indiana. Final report, 4-14 March 1988

    SciTech Connect (OSTI)

    Garrison, J.A.

    1988-06-01

    At the request of HQ SAC/SGPB, compliance testing (particulate emissions) of coal-fired boilers 3 and 5 in the Grissom AFB Central Heating Plant was performed on 4-14 Mar 1988. The survey was conducted to determine compliance with Indiana Administrative Code, Title 325--Air Pollution Control Board, Articles 5 and 6. Results indicate that boilers 3 and 5 to met particulate standards while exhausting through the bypass stack.

  16. Beamline 5.4.1

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

    Beamline 5.4.1 Print Infrared spectromicroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.05-1.00 eV Frequency range 650 -...

  17. Beamline 5.4.1

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

    5.4.1 Print Infrared spectromicroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.05-1.00 eV Frequency range 650 - 10,000 cm-1...

  18. Mechanisms of optical losses in the {sup 5}D{sub 4} and {sup 5}D{sub 3} levels in Tb{sup 3+} doped low silica calcium aluminosilicate glasses

    SciTech Connect (OSTI)

    Santos, J. F. M. dos; Terra, I. A. A.; Nunes, L. A. O.; Catunda, T.; Astrath, N. G. C.; Guimares, F. B.; Baesso, M. L.

    2015-02-07

    Trivalent Tb-doped materials exhibit strong emission in the green and weak emission in the UV-blue levels. Usually, this behavior is attributed to the cross relaxation (CR) process. In this paper, the luminescence properties of Tb{sup 3+}-doped low silica calcium aluminosilicate glasses are analyzed for UV (?{sub exc}?=?325?nm) and visible (488?nm) excitations. Under 325?nm excitation, the intensity of green luminescence increases proportionally to Tb{sup 3+} concentration. However, the blue luminescence intensity is strongly reduced with the increase of concentration from 0.515.0?wt. %. In the case of 488?nm excitation, a saturation behavior of the green emission is observed at intensities two orders of magnitude smaller than expected for bleaching of the ground state population. Using a rate equation model, we showed that this behavior can be explained by an excited state absorption cross section two orders of magnitude larger than the ground state absorption. The blue emission is much weaker than expected from our rate equations (325?nm and 488?nm excitation). We concluded that only the CR process cannot explain the overall feature of measured luminescence quenching in the wide range of Tb{sup 3+} concentrations. Cooperative upconversion from a pair of excited ions ({sup 5}D{sub 3}:{sup 5}D{sub 3} or {sup 5}D{sub 3}:{sup 5}D{sub 4}) and other mechanisms involving upper lying states (4f5d, charge transfer, host matrix, defects, etc.) may play a significant role.

  19. Hyperfine structure of {sup 87,89}Sr 5s4d{sup 3}D-5snf transitions in collinear fast beam RIMS

    SciTech Connect (OSTI)

    Bushaw, B. A.; Kluge, H.-J.; Lantzsch, J.; Schwalbach, R.; Schwarz, M.; Stenner, J.; Stevens, H.; Wendt, K.; Zimmer, K.

    1995-04-01

    The title transition, with n=20, 23, and 32 were measured for stable {sup 87}Sr and the observed hfs was interpreted and strong hyperfine mixing of all four terms {sup 1}F3 and {sup 3}F2,3,4 in the upper configuration. The results of the analysis were used to predict the hfs for the radioactive isotope {sup 89}Sr. Measurement were then performed on samples containing 10{sup 9} atoms {sup 89}Sr. The positions and intensities of the hfs components selected for study were found to agree well with the predicted values.

  20. Compliance testing of Grissom AFB Central Heating Plant coal-fired boilers 3, 4, and 5, Grissom AFB, Indiana. Final report, 29 January-15 February 1989

    SciTech Connect (OSTI)

    Garrison, J.A.

    1989-06-01

    At the request of HQ, SAC/SGPB source compliance testing (particulate and visible emissions) of boilers 3, 4, and 5 in the Grissom AFB Central Heating Plant was accomplished 29 Jan-15 Feb 89. The survey was conducted to determine compliance with regards to Indiana Administrative Code, Title 325 - Air Pollution Control Board, Article 5, Opacity Regulations, and Article 6, Particulate Regulations. Boiler 3 was tested through scrubber B, Boiler 4 through scrubber A, and Boiler 5 through scrubber B and the bypass stack. Results indicate that each boiler met applicable visible and particulate emission standards.

  1. Beamline 5.3.1

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

    Beamline 5.3.1 Print Femtosecond Phenomena GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 1,000 - 13,000 eV Monochromator Si(111) double crystal, W/B4C ML Flux (1.9 GeV, 400 mA) ~1 x 1012 photons/s/3x10-4BW Resolving power (E/ΔE) 1,200 at 5,000 eV Spot size at sample 100 x 300 µm Endstations Detector testing, KB optics development Sample format Crystals, foils Sample environment 10-6 Torr vacuum or air Experimental techniques

  2. Beamline 5.3.1

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

    Beamline 5.3.1 Print Femtosecond Phenomena GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 1,000 - 13,000 eV Monochromator Si(111) double crystal, W/B4C ML Flux (1.9 GeV, 400 mA) ~1 x 1012 photons/s/3x10-4BW Resolving power (E/ΔE) 1,200 at 5,000 eV Spot size at sample 100 x 300 µm Endstations Detector testing, KB optics development Sample format Crystals, foils Sample environment 10-6 Torr vacuum or air Experimental techniques

  3. Beamline 5.3.1

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

    Beamline 5.3.1 Print Femtosecond Phenomena GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 1,000 - 13,000 eV Monochromator Si(111) double crystal, W/B4C ML Flux (1.9 GeV, 400 mA) ~1 x 1012 photons/s/3x10-4BW Resolving power (E/ΔE) 1,200 at 5,000 eV Spot size at sample 100 x 300 µm Endstations Detector testing, KB optics development Sample format Crystals, foils Sample environment 10-6 Torr vacuum or air Experimental techniques

  4. Beamline 5.3.1

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

    Beamline 5.3.1 Print Femtosecond Phenomena GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 1,000 - 13,000 eV Monochromator Si(111) double crystal, W/B4C ML Flux (1.9 GeV, 400 mA) ~1 x 1012 photons/s/3x10-4BW Resolving power (E/ΔE) 1,200 at 5,000 eV Spot size at sample 100 x 300 µm Endstations Detector testing, KB optics development Sample format Crystals, foils Sample environment 10-6 Torr vacuum or air Experimental techniques

  5. High pressure synthesis and properties of Bi{sub 0.5}Pb{sub 0.5}CrO{sub 3}: A novel Cr{sup 4+}/Cr{sup 3+} perovskite

    SciTech Connect (OSTI)

    Pirrotta, Ivan; Schmidt, Rainer; Morán, Emilio; and others

    2015-05-15

    We have synthesized a new Bi{sub 0.5}Pb{sub 0.}5CrO{sub 3} perovskite phase by means of a high pressure reaction at 70 kbar and 1000 °C. The distorted orthorhombic perovskite structure can be indexed in the space group Pnma with lattice parameters a=5.4768 (1) Å, b=7.7450 (2) Å, and c=5.4574 (1) Å at room temperature, but undergoes a structural phase transition and enters into a P2{sub 1}/m monoclinic distorted perovskite phase below 150 K with a=5.4173 (2), b=7.7286 (4) and c=5.4930 (3). The structural transition is coincident with the onset of magnetic interactions. At lower temperatures a weak ferromagnetic structure is evident related to antiferromagnetic Cr-spin canting and a spin-glass transition is observed at ≈40 K. The semiconducting-type electrical resistivity is relatively low, associated with Cr{sup 3+}/Cr{sup 4+} electron hopping, and shows considerable magneto-resistance (up to 15%). Due to the low resistivity the dielectric permittivity ε{sub r} could be determined only below T<80 K to be ≈300 and did not show any strong temperature-dependence. Ferroelectricity was not detected in the T-range investigated and no magnetocapacitance effects were observed. - Graphical abstract: A new Bi{sub 0.5}Pb{sub 0.}5CrO{sub 3} perovskite phase has been synthesized under high pressure (70 kbar) and high temperature (1000 °C) conditions. The room temperature structure is orthorhombic and can be indexed in the space group Pnma but below 150 K undergoes a structural phase transition and enters into a P2{sub 1}/m monoclinic distorted perovskite phase. The structural transition is coincident with the onset of magnetic interactions. Mott variable-range hopping charge transport and magnetoresistance effects are evident. - Highlights: • A new Bi{sub 0.5}Pb{sub 0.}5CrO{sub 3} perovskite has been synthesized under HP/HT conditions. • An orthorhombic-to monoclinic phase transition takes place at 150 K. • The structural transition is coincident with the onset

  6. Beamline 5.4.1

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

    5.4.1 Beamline 5.4.1 Print Wednesday, 16 June 2010 16:03 Infrared spectromicroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.05-1.00 eV Frequency range 650 - 10,000 cm-1 Interferometer resolution Up to 0.125 cm-1 Endstations FTIR bench and IR microscope (N2 purged) Characteristics Computerized sample stage, 0.1-micron resolution; reflection, transmission, and attenuated total reflectance (ATR) modes; polarizing and UV fluorescence optics

  7. Non-additive hepatic gene expression elicited by 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) and 2,2',4,4',5,5'-hexachlorobiphenyl (PCB153) co-treatment in C57BL/6 mice

    SciTech Connect (OSTI)

    Kopec, Anna K.; D'Souza, Michelle L.; Mets, Bryan D.; Burgoon, Lyle D.; Reese, Sarah E.; Archer, Kellie J.; Potter, Dave; Tashiro, Colleen; Sharratt, Bonnie; Harkema, Jack R.; Zacharewski, Timothy R.

    2011-10-15

    Interactions between environmental contaminants can lead to non-additive effects that may affect the toxicity and risk assessment of a mixture. Comprehensive time course and dose-response studies with 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), non-dioxin-like 2,2',4,4',5,5'-hexachlorobiphenyl (PCB153) and their mixture were performed in immature, ovariectomized C57BL/6 mice. Mice were gavaged once with 30 {mu}g/kg TCDD, 300 mg/kg PCB153, a mixture of 30 {mu}g/kg TCDD with 300 mg/kg PCB153 (MIX) or sesame oil vehicle for 4,12, 24,72 or 168 h. In the 24 h dose-response study, animals were gavaged with TCDD (0.3,1, 3, 6, 10, 15, 30, 45 {mu}g/kg), PCB153 (3,10, 30, 60, 100, 150, 300, 450 mg/kg), MIX (0.3 + 3, 1 + 10, 3 + 30, 6 + 60, 10 + 100, 15 + 150, 30 + 300, 45 {mu}g/kg TCDD + 450 mg/kg PCB153, respectively) or vehicle. All three treatments significantly increased relative liver weights (RLW), with MIX eliciting significantly greater increases compared to TCDD and PCB153 alone. Histologically, MIX induced hepatocellular hypertrophy, vacuolization, inflammation, hyperplasia and necrosis, a combination of TCDD and PCB153 responses. Complementary lipid analyses identified significant increases in hepatic triglycerides in MIX and TCDD samples, while PCB153 had no effect on lipids. Hepatic PCB153 levels were also significantly increased with TCDD co-treatment. Microarray analysis identified 167 TCDD, 185 PCB153 and 388 MIX unique differentially expressed genes. Statistical modeling of quantitative real-time PCR analysis of Pla2g12a, Serpinb6a, Nqo1, Srxn1, and Dysf verified non-additive expression following MIX treatment compared to TCDD and PCB153 alone. In summary, TCDD and PCB153 co-treatment elicited specific non-additive gene expression effects that are consistent with RLW increases, histopathology, and hepatic lipid accumulation. - Graphical abstract: Display Omitted Highlights: > MIX (TCDD:PCB153 at 1:10,000 ratio) exposure leads to non-additive gene expression

  8. Li3Mo4P5O24: A two-electron cathode for lithium-ion batteries with three-dimensional diffusion pathways

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

    Wen, Bohua; Khalifah, Peter G.; Liu, Jue; Chernova, Natasha A.; Wang, Xiaoya; Janssen, Yuri; Omenya, Fredrick; Whittingham, M. Stanley

    2016-03-05

    The structure of the novel compound Li3Mo4P5O24 has been solved from single crystal X-ray diffraction data. The Mo cations in Li3Mo4P5O24 are present in four distinct types of MoO6 octahedra, each of which has one open vertex at the corner participating in a Mo=O double bond and whose other five corners are shared with PO4 tetrahedra. On the basis of a bond valence sum difference map (BVS-DM) analysis, this framework is predicted to support the facile diffusion of Li+ ions, a hypothesis that is confirmed by electrochemical testing data, which show that Li3Mo4P5O24 can be utilized as a rechargeable batterymore » cathode material. It is found that Li can both be removed from and inserted into Li3Mo4P5O24. The involvement of multiple redox processes occurring at the same Mo site is reflected in electrochemical plateaus around 3.8 V associated with the Mo6+/Mo5+ redox couple and 2.2 V associated with the Mo5+/Mo4+ redox couple. The two-electron redox properties of Mo cations in this structure lead to a theoretical capacity of 198 mAh/g. When cycled between 2.0 and 4.3 V versus Li+/Li, an initial capacity of 113 mAh/g is observed with 80% of this capacity retained over the first 20 cycles. Lastly, this compound therefore represents a rare example of a solid state cathode able to support two-electron redox capacity and provides important general insights about pathways for designing next-generation cathodes with enhanced specific capacities.« less

  9. Beamline 5.3.1

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

    Beamline 5.3.1 Beamline 5.3.1 Print Tuesday, 20 October 2009 08:37 Femtosecond Phenomena GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 1,000 - 13,000 eV Monochromator Si(111) double crystal, W/B4C ML Flux (1.9 GeV, 400 mA) ~1 x 1012 photons/s/3x10-4BW Resolving power (E/ΔE) 1,200 at 5,000 eV Spot size at sample 100 x 300 µm Endstations Detector testing, KB optics development Sample format Crystals, foils Sample environment

  10. Beamline 5.0.3

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

    Beamline 5.0.3 Print Berkeley Center for Structural Biology (BCSB) Monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics 11.4-cm-period wiggler (W11) Energy range 12,700 eV(fixed) Monochromator Asymmetric cut single crystal Si(220) Measured flux 2.4 x 1011 photons/s at 400-mA ring current, with 1.5-mrad divergence and 100-µm

  11. Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-di-hydro-1,3,4-thiadiazol-2-ylidene) -4-methylbenzenesulfonamide using DFT-D calculations and {sup 13}C solid-state NMR

    SciTech Connect (OSTI)

    Li, Xiaozhou; Bond, Andrew D.; Johansson, Kristoffer E.; Van de Streek, Jacco

    2014-08-01

    The crystal structure of (Z)-N-(5-ethyl-2,3-di-hydro-1,3,4-thiadiazol-2-ylidene) -4-methylbenzenesulfonamide contains an imine tautomer, rather than the previously reported amine tautomer. The tautomers can be distinguished using dispersion-corrected density functional theory calculations and by comparison of calculated and measured {sup 13}C solid-state NMR spectra. The crystal structure of the title compound, C{sub 11}H{sub 13}N{sub 3}O{sub 2}S{sub 2}, has been determined previously on the basis of refinement against laboratory powder X-ray diffraction (PXRD) data, supported by comparison of measured and calculated {sup 13}C solid-state NMR spectra [Hangan et al. (2010 ▶). Acta Cryst. B66, 615–621]. The mol@@ecule is tautomeric, and was reported as an amine tautomer [systematic name: N-(5-ethyl-1,3,4-thia@@diazol-2-yl)-p-toluene@@sulfonamide], rather than the correct imine tautomer. The protonation site on the mol@@ecule’s 1,3,4-thia@@diazole ring is indicated by the inter@@molecular contacts in the crystal structure: N—H⋯O hydrogen bonds are established at the correct site, while the alternative protonation site does not establish any notable inter molecular inter@@actions. The two tautomers provide essentially identical Rietveld fits to laboratory PXRD data, and therefore they cannot be directly distinguished in this way. However, the correct tautomer can be distinguished from the incorrect one by previously reported qu@@anti@@tative criteria based on the extent of structural distortion on optimization of the crystal structure using dispersion-corrected density functional theory (DFT-D) calculations. Calculation of the {sup 13}C SS-NMR spectrum based on the correct imine tautomer also provides considerably better agreement with the measured {sup 13}C SS-NMR spectrum.

  12. Beamline 5.4.1

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

    Beamline 5.4.1 Print Infrared spectromicroscopy GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics Bend magnet Energy range 0.05-1.00 eV Frequency range 650 - 10,000 cm-1 Interferometer resolution Up to 0.125 cm-1 Endstations FTIR bench and IR microscope (N2 purged) Characteristics Computerized sample stage, 0.1-micron resolution; reflection, transmission, and attenuated total reflectance (ATR) modes; polarizing and UV fluorescence optics Spatial resolution Diffraction limited

  13. Data:Eac1dd3a-0268-4e5c-b1d1-ed9feeb2a12a | Open Energy Information

    Open Energy Info (EERE)

    Eac1dd3a-0268-4e5c-b1d1-ed9feeb2a12a No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading......

  14. Comparative Study of Loss-of-Coolant Accident Using MAAP4.03 and RELAP5/MOD3.2.2

    SciTech Connect (OSTI)

    Chang Hwan Park; Doo Yong Lee; Ik Jeong; Un Chul Lee; Suh, Kune Y.; Goon Cherl Park

    2002-07-01

    Analysis was performed for a large-break loss-of-coolant accident (LOCA) in the APR1400 (Advanced Power Reactor 1400 MWe) with the thermal-hydraulic analysis code RELAP5/ MOD3.2.2 and the severe accident analysis code MAAP4.03. The two codes predicted different sequences for essentially the same initiating condition. As for the break flow and the emergency core cooling (ECC) flow rates, MAAP4.03 predicted considerably higher values in the initial stage than RELAP5/ MOD3.2.2. It was considered that the differing break flow and ECC flow rates would cause the LOCA sequences to deviate from one another between the two codes. Hence, the break flow model in MAAP4.03 was modified with partly implementing the two-phase homogeneous critical flow model and adopting a correction term. The ECC flow model in MAAP4.03 was also varied by changing the hardwired friction factor through the sensitivity study. The modified break flow and ECC flow models yielded more consistent calculational results between RELAP5/MOD3.2.2 and MAAP4.03. It was, however, found that the resultant effect is rather limited unless more mechanistic treatments are done for the primary system in MAAP4.03. (authors)

  15. Linkage mapping of the aldo-2, Pax-5, Ambp, and D4H9S3E loci on mouse chromosome 4 in the region of homology with human chromosome 9

    SciTech Connect (OSTI)

    Pilz, A.; Abbott, C. ); Fountain, J. ); Peters, J. )

    1993-12-01

    The genes for aldolase-B (ALDOB), the [alpha]-microglobulin/bikunin precursor (AMBP), the paired box gene PAX5, and the anonymous DNA marker D9S3 map to human chromosome 9 (HSA9). The authors have set out to map the mouse homologues of each of these genes. The mouse genes for Pax-5 and Ambp previously been shown to map to MMU4. They have used an interspecific backcross to confirm these localizations and to map the mouse homologues of ALDOB (Aldo-2) and D9S3 (D4H9S3E) to the same chromosome. These genes were mapped with respect to the four anchor loci for MMU4. In addition, the panel of backcross DNAs had previously been typed for [delta]-amino levulinate dehydratase (Lv), orosomucoid-1 (Orm-1), and hexabranchion (Hxb), the human homologues of which map to HSA9q. The recombination distances [+-] the standard error between each pair of loci are D4Nds4-1.6[+-]1.1-D4H9S3E-4.0[+-]1.7 (Galt) 0.8[+-]0.8-Pax-5-4.8[+-]1.9-Aldo-2-6.3[+-]2.2-(Lv, Orm-1, Ambp)-1.6[+-]1.1-Hxb-4.0[+-]1.7-Tyrp-1-4.8[+-]1.9-Ifa. The data from this study have extended the known region of conserved synteny between human chromosome 9 and mouse chromosome 4. 17 refs., 2 figs.

  16. Use of 3,3'-diamino-4,4'-azoxyfurazan and 3,3'-diamino-4,4'-azofurazan as insensitive high explosive materials

    DOE Patents [OSTI]

    Hiskey, Michael A.; Chavez, David E.; Bishop, Robert L.; Kramer, John F.; Kinkead, Scott A.

    2002-01-01

    A method of preparing 3,3'-diamino-4,4'-azofurazan is provided together with a composition of matter including a mixture of 3,3'-diamino-4,4'-azofurazan and 1,3,5-triamino-2,4,6-trinitrobenzene.

  17. Novel nanomaterials based on 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21H,23H-porphyrin entrapped in silica matrices

    SciTech Connect (OSTI)

    Fagadar-Cosma, Eugenia; Enache, Corina; Vlascici, Dana; Fagadar-Cosma, Gheorghe; Vasile, Mihaela; Bazylak, Grzegorz

    2009-12-15

    The present study is dealing with the obtaining of transparent hybrid silica materials encapsulating 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21H,23H-porphyrin designated for advanced optoelectronic devices. The porphyrin was synthesized by three methods: an Adler-type reaction between pyrrole and 3,4-dimethoxybenzaldehyde in propionic acid medium; by Lindsey condensation of pyrrole with 3,4-dimethoxybenzaldehyde in the presence of BF{sub 3}.OEt{sub 2} and by a multicomponent reaction by simultaneously using of pyrrole and two different aldehydes: 3,4-dimethoxybenzaldehyde and 3-hydroxybenzaldehyde. The 3,4-dimethoxyphenyl substituted porphyrin was characterized by HPLC, TLC, UV-vis, FT-IR, {sup 1}H NMR and {sup 13}C NMR analysis. Excitation and emission spectra were also discussed in terms of pH conditions. The hybrid materials, consisting in the porphyrin encapsulated in silica matrices, have been prepared successfully via the two steps acid-base catalyzed hydrolysis and condensation of tetraethylorthosilicate using different approaches of the sol-gel process: in situ, by impregnation and by sonication. The synthetic conditions and the compositions were monitored and characterized by using spectroscopic methods such as FT-IR, fluorescence and UV-vis. Atomic force microscopy (AFM) has been applied to observe the columnar or pyramidal nanostructures which are formed by the immobilization of porphyrin on the silica matrices.

  18. THE CARNEGIE HUBBLE PROGRAM: THE LEAVITT LAW AT 3.6 AND 4.5 {mu}m IN THE MILKY WAY

    SciTech Connect (OSTI)

    Monson, Andrew J.; Freedman, Wendy L.; Madore, Barry F.; Persson, S. E.; Scowcroft, Victoria; Seibert, Mark; Rigby, Jane R. E-mail: wendy@obs.carnegiescience.edu E-mail: persson@obs.carnegiescience.edu E-mail: mseibert@obs.carnegiescience.edu

    2012-11-10

    The Carnegie Hubble Program (CHP) is designed to calibrate the extragalactic distance scale using data from the post-cryogenic era of the Spitzer Space Telescope. The ultimate goal of the CHP is a systematic improvement in the distance scale leading to a determination of the Hubble constant to within an accuracy of 2%. This paper focuses on the measurement and calibration of the Galactic Cepheid period-luminosity (PL, Leavitt) relation using the warm Spitzer/IRAC 1 and 2 bands at 3.6 and 4.5 {mu}m. We present photometric measurements covering the period range 4-70 days for 37 Galactic Cepheids. Data at 24 phase points were collected for each star. Three PL relations of the form M = a(log (P) - 1) + b are derived. The method adopted here takes the slope a to be -3.31, as determined from the Spitzer Large Magellanic Cloud (LMC) data of Scowcroft et al. Using the geometric Hubble Space Telescope guide-star distances to 10 Galactic Cepheids, we find a calibrated 3.6 {mu}m PL zero point of -5.80 {+-} 0.03. Together with our value for the LMC zero point, we determine a reddening-corrected distance modulus of 18.48 {+-} 0.04 mag to the LMC. The mid-IR period-color diagram and the [3.6]-[4.5] color variation with phase are interpreted in terms of CO absorption at 4.5 {mu}m. This situation compromises the use of the 4.5 {mu}m data for distance determinations.

  19. Beamline 5.0.3

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

    0.3 Print Berkeley Center for Structural Biology (BCSB) Monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics 11.4-cm-period wiggler (W11) Energy range 12,700 eV(fixed) Monochromator Asymmetric cut single crystal Si(220) Measured flux 2.4 x 1011 photons/s at 400-mA ring current, with 1.5-mrad divergence and 100-µm pinhole

  20. Beamline 5.0.3

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

    0.3 Print Berkeley Center for Structural Biology (BCSB) Monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics 11.4-cm-period wiggler (W11) Energy range 12,700 eV(fixed) Monochromator Asymmetric cut single crystal Si(220) Measured flux 2.4 x 1011 photons/s at 400-mA ring current, with 1.5-mrad divergence and 100-µm pinhole

  1. Beamline 5.3.1

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

    1 Print Femtosecond Phenomena GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 1,000 - 13,000 eV Monochromator Si(111) double crystal, W/B4C ML Flux (1.9 GeV, 400 mA) ~1 x 1012 photons/s/3x10-4BW Resolving power (E/ΔE) 1,200 at 5,000 eV Spot size at sample 100 x 300 µm Endstations Detector testing, KB optics development Sample format Crystals, foils Sample environment 10-6 Torr vacuum or air Experimental techniques X-ray optics

  2. Beamline 5.3.1

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

    1 Print Femtosecond Phenomena GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 1,000 - 13,000 eV Monochromator Si(111) double crystal, W/B4C ML Flux (1.9 GeV, 400 mA) ~1 x 1012 photons/s/3x10-4BW Resolving power (E/ΔE) 1,200 at 5,000 eV Spot size at sample 100 x 300 µm Endstations Detector testing, KB optics development Sample format Crystals, foils Sample environment 10-6 Torr vacuum or air Experimental techniques X-ray optics

  3. Beamline 5.3.1

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

    1 Print Femtosecond Phenomena GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 1,000 - 13,000 eV Monochromator Si(111) double crystal, W/B4C ML Flux (1.9 GeV, 400 mA) ~1 x 1012 photons/s/3x10-4BW Resolving power (E/ΔE) 1,200 at 5,000 eV Spot size at sample 100 x 300 µm Endstations Detector testing, KB optics development Sample format Crystals, foils Sample environment 10-6 Torr vacuum or air Experimental techniques X-ray optics

  4. Beamline 5.3.1

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

    1 Print Femtosecond Phenomena GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 1,000 - 13,000 eV Monochromator Si(111) double crystal, W/B4C ML Flux (1.9 GeV, 400 mA) ~1 x 1012 photons/s/3x10-4BW Resolving power (E/ΔE) 1,200 at 5,000 eV Spot size at sample 100 x 300 µm Endstations Detector testing, KB optics development Sample format Crystals, foils Sample environment 10-6 Torr vacuum or air Experimental techniques X-ray optics

  5. Beamline 5.0.3

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

    0.3 Print Berkeley Center for Structural Biology (BCSB) Monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics 11.4-cm-period wiggler (W11) Energy range 12,700 eV(fixed) Monochromator Asymmetric cut single crystal Si(220) Measured flux 2.4 x 1011 photons/s at 400-mA ring current, with 1.5-mrad divergence and 100-µm pinhole

  6. Beamline 5.3.1

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

    1 Print Femtosecond Phenomena GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 1,000 - 13,000 eV Monochromator Si(111) double crystal, W/B4C ML Flux (1.9 GeV, 400 mA) ~1 x 1012 photons/s/3x10-4BW Resolving power (E/ΔE) 1,200 at 5,000 eV Spot size at sample 100 x 300 µm Endstations Detector testing, KB optics development Sample format Crystals, foils Sample environment 10-6 Torr vacuum or air Experimental techniques X-ray optics

  7. Step 4: Project Implementation Introduction to Step 5: Project...

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

    Project Operations & Maintenance Project Development Process 2 1 Potential 3 Refinement 2 Options 4 Implementation 5 Operations & Maintenance 3 Step 5: Operations & Maintenance ...

  8. Theoretical vibrations of carbon chains C3, C4, C5, C6, C7, C8, and C9

    SciTech Connect (OSTI)

    Kurtz, J.; Adamowicz, L. Arizona Univ., Tucson )

    1991-04-01

    The MBPT (2) procedure with the 6-31g (asterisk) basis set was used to study nearly linear carbon chains. The theoretical vibrational frequencies of the molecules C3 through C9 are presented and, for C3 through C6, compared to experimental stretching frequencies and their (C-13)/(C-12) isotopomers. Predictions for C7, C8, and C9 stretching frequencies are calculated by directly scaling the theoretical frequencies with factors derived from experimental-to-theoretical ratios known for the smaller molecules. 28 refs.

  9. Data:Ed681d16-9c5b-4ae3-a097-4da62829c05b | Open Energy Information

    Open Energy Info (EERE)

    under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic Information 2. Demand 3. Energy << Previous 1 2 3 Next >> Basic Information...

  10. Attachment 3 of 5

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

    5 of 6. January 17, 2002 Change Number M-90-01-03 Draft Federal Facility Agreement and Consent Order Change Control Form Do not use blue ink. Type or print using black ink. Date January 17, 2002 Originator DOE-Office of River Protection Phone Class of Change [ ] I - Signatories [X] II - Executive Manager [ ] III - Project Manager Change Title Modification of Hanford Federal Facility Agreement and Consent Order (HFFACO) M90 series requirements in order to resolve inconsistencies between HFFACO

  11. Connecting the X(5)-{beta}{sup 2}, X(5)-{beta}{sup 4}, and X(3) models to the shape/phase-transition region of the interacting boson model

    SciTech Connect (OSTI)

    McCutchan, E. A.; Bonatsos, Dennis; Zamfir, N. V.

    2006-09-15

    The parameter independent (up to overall scale factors) predictions of the X(5)-{beta}{sup 2}, X(5)-{beta}{sup 4}, and X(3) models, which are variants of the X(5) critical point symmetry developed within the framework of the geometric collective model, are compared to two-parameter calculations in the framework of the interacting boson approximation (IBA) model. The results show that these geometric models coincide with IBA parameters consistent with the shape/phase-transition region of the IBA for boson numbers of physical interest (close to 10). Nuclei within the rare-earth region and select Os and Pt isotopes are identified as good examples of X(3), X(5)-{beta}{sup 2}, and X(5)-{beta}{sup 4} behavior.

  12. Connecting the X(5)-{beta}{sup 2}, X(5)-{beta}{sup 4}, and X(3) models to the shape/phase transition region of the interacting boson model

    SciTech Connect (OSTI)

    McCutchan, E. A. Bonatsos, D. Zamfir, N. V.

    2007-08-15

    The parameter-independent (up to overall scale factors) predictions of the X(5)-{beta}{sup 2},X(5)-{beta}{sup 4}, and X(3) models, which are variants of the X(5) critical point symmetry developed within the framework of the geometric collective model, are compared to two-parameter calculations in the framework of the interacting boson approximation (IBA) model. The results show that these geometric models coincide with IBA parameters consistent with the phase/shape transition region of the IBA for boson numbers of physical interest (close to 10). {sup 186}Pt and {sup 172}Os are identified as good examples of X(3), while {sup 146}Ce, {sup 174}Os, and {sup 158}Er, {sup 176}Os are identified as good examples of X(5)-{beta}{sub 2} and X(5)-{beta}{sup 4} behavior, respectively.

  13. Yb{sub 5}Ni{sub 4}Sn{sub 10} and Yb{sub 7}Ni{sub 4}Sn{sub 13}: New polar intermetallics with 3D framework structures

    SciTech Connect (OSTI)

    Lei Xiaowu; Sun Zhongming; Li Longhua; Zhong Guohua; Hu Chunli; Mao Jianggao

    2010-04-15

    The title compounds have been obtained by solid state reactions of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction studies. Yb{sub 5}Ni{sub 4}Sn{sub 10} adopts the Sc{sub 5}Co{sub 4}Si{sub 10} structure type and crystallizes in the tetragonal space group P4/mbm (No. 127) with cell parameters of a=13.785(4) A, c=4.492 (2) A, V=853.7(5) A{sup 3}, and Z=2. Yb{sub 7}Ni{sub 4}Sn{sub 13} is isostructural with Yb{sub 7}Co{sub 4}InGe{sub 12} and crystallizes in the tetragonal space group P4/m (No. 83) with cell parameters of a=11.1429(6) A, c=4.5318(4) A, V=562.69(7) A{sup 3}, and Z=1. Both structures feature three-dimensional (3D) frameworks based on three different types of one-dimensional (1D) channels, which are occupied by the Yb atoms. Electronic structure calculations based on density functional theory (DFT) indicate that both compounds are metallic. These results are in agreement with those from temperature-dependent resistivity and magnetic susceptibility measurements. - Graphical abstract: Two new ytterbium nickel stannides, namely, Yb{sub 5}Ni{sub 4}Sn{sub 10} and Yb{sub 7}Ni{sub 4}Sn{sub 13}, have been synthesized and structurally characterized by single-crystal X-ray diffraction studies. Both their structures feature three-dimensional (3D) frameworks based on three different types of one-dimensional (1D) channels, which are situated by all the Yb atoms. Electronic structure calculations based on density functional theory (DFT) indicate that both compounds are metallic, which are in accordance with the results from temperature-dependent resistivity and magnetic susceptibility measurements.

  14. FOUR IRAC SOURCES WITH AN EXTREMELY RED H - [3.6] COLOR: PASSIVE OR DUSTY GALAXIES AT z > 4.5?

    SciTech Connect (OSTI)

    Huang, J.-S.; Fazio, G. G.; Zheng, X. Z.; Rigopoulou, D.; Magdis, G.; Wang, T.

    2011-11-20

    We report the detection of four IRAC sources in the GOODS-South field with an extremely red color of H - [3.6] > 4.5. The four sources are not detected in the deep Hubble Space Telescope WFC3 H-band image with H{sub limit} = 28.3 mag. We find that only three types of SED templates can produce such a red H - [3.6] color: a very dusty SED with the Calzetti extinction of A{sub V} = 16 mag at z = 0.8; a very dusty SED with the SMC extinction of A{sub V} = 8 mag at z = 2.0- 2.2; and an 1 Gyr SSP with A{sub V} {approx} 0.8 at z = 5.7. We argue that these sources are unlikely dusty galaxies at z {<=} 2.2 based on absent strong MIPS 24 {mu}m emission. The old stellar population model at z > 4.5 remains a possible solution for the 4 sources. At z > 4.5, these sources have stellar masses of log(M{sub *}/M{sub Sun }) = 10.6-11.2. One source, ERS-1, is also a type-II X-ray QSO with L{sub 2-8keV} = 1.6 Multiplication-Sign 10{sup 44} erg s{sup -1}. One of the four sources is an X-ray QSO and another one is a HyperLIRG, suggesting a galaxy-merging scenario for the formation of these massive galaxies at high redshifts.

  15. Molten salt flux synthesis and structure of the new layered uranyl tellurite, K{sub 4}[(UO{sub 2}){sub 5}(TeO{sub 3}){sub 2}O{sub 5}

    SciTech Connect (OSTI)

    Woodward, Jonathan D.; Albrecht-Schmitt, Thomas E. . E-mail: albreth@auburn.edu

    2005-09-15

    The reaction of UO{sub 3} and TeO{sub 3} with a KCl flux at 800 deg. C for 3 days yields single crystals of K{sub 4}[(UO{sub 2}){sub 5}(TeO{sub 3}){sub 2}O{sub 5}]. The structure of the title compound consists of layered, two-dimensional {sub {infinity}}{sup 2}[(UO{sub 2}){sub 5}(TeO{sub 3}){sub 2}O{sub 5}]{sup 4-} sheets arranged in a stair-like topology separated by potassium cations. Contained within these sheets are one-dimensional uranium oxide ribbons consisting of UO{sub 7} pentagonal bipyramids and UO{sub 6} tetragonal bipyramids. The ribbons are in turn linked by corner-sharing with trigonal pyramidal TeO{sub 3} units to form sheets. The lone-pair of electrons from the TeO{sub 3} groups are oriented in opposite directions with respect to one another on each side of the sheets rendering each individual sheet nonpolar. The potassium cations form contacts with nearby tellurite units and axial uranyl oxygen atoms. Crystallographic data (193K, MoK{alpha}, {lambda}=0.71073A): triclinic, space group P1-bar , a=6.8514(5)A, b=7.1064(5)A, c=11.3135(8)A, {alpha}=99.642(1){sup o}, {beta}=93.591(1){sup o}, {gamma}=100.506(1){sup o}, V=531.48(7)A{sup 3}, Z=1,R(F)=4.19% for 149 parameters and 2583 reflections with I>2{sigma}(I)

  16. A fourth polymorph in the family of BEDT-TTF salts with thiocyanatocuprate(I) anions: (BEDT-TTF){<_4}Cu{<_3}(NCS){<_5}.

    SciTech Connect (OSTI)

    Schlueter, J. A.; Geiser, U.; Wang, H. H.; Manson, J. L.

    2012-05-01

    A new crystallographic modification was found in the family of BEDT-TTF salts containing thiocyanatocuprate(I) anions. The cation radical salt crystallizes in the P{sup {bar 1}} space group with a = 8.2720(9) {angstrom}, b = 19.099(2) {angstrom}, c = 43.758(5) {angstrom}, {alpha} = 81.088(4){sup o}, {beta} = 87.253(4){sup o}, {gamma} = 83.790(4){sup o}, V = 6786.2(13) {angstrom}{sup 3} at 150 K. The BEDT-TTF radical cations pack in an {alpha}-type motif, but every four columns, there is a slip in the layer. Where this slip occurs, the stacks are coupled in a {beta}'' manner. The material exhibits semiconductive behavior with an activation energy of 0.13 eV above 250 K and 0.22 eV below. Packing motif of the (BEDT-TTF){sub 4}Cu{sub 3}(NCS){sub 5} structure.

  17. Beamline 5.4.3

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

    gas phase and cluster samples. Spatial resolution 1 mm Detectors Wide-range MCT-A (mercury cadmium telluride), Si Bolometer, DLATGS, hot electron bolometer, Spot size at sample...

  18. Beamline 5.4.3

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

    Interferometer resolution 0.00096 cm-1 Endstations Bruker IFS 125HR with 9 scanner chambers Characteristics High resolution Far-IR to Mid-IR spectroscopy primarily for gas phase...

  19. Beamline 1.4.3

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

    Beamline 1.4.3 Beamline 1.4.3 Print Tuesday, 20 October 2009 08:08 FTIR spectromicroscopy Scientific disciplines: Biology, correlated electron systems, environmental science,...

  20. Cyclization of N-alkyl azinium cations with bifunctional nucleophiles. 21. Regioisomeric 1,3,4-thiadiazino(5,6-b)quinoxalines

    SciTech Connect (OSTI)

    Baklykov, V.G.; Charushin, V.N.; Chupakhin, O.N.; Drozd, V.N.

    1987-10-01

    Thiobenzyhydrazides undergo cyclization with N-alkyl-quinoxalinium salts to give 5-alkyl-substituted 1,4,4a,5,10,10a-hexahydro-1,3,4-thiadiazino(5,6-b)quinoxalines, which undergo isomerization to 10-alkyl-substituted thiadiazinoquinoxalines when they are heated in ethanol or in the presence of acids. The IR spectra of suspensions of the compounds in mineral oil were recorded with a UR-20 spectrometer. The PMR spectra of solutions in d/sub 6/-DMSO were recorded with Perkin-Elmer R-12B (60 MHz) and Brucker WP-80 (80 MHz) spectrometers with tetramethylsilane (TMS) and hexamethyldisiloxane (HMDS) as the internal standards. The /sup 13/C NMR spectra of solutions in d/sub 6/-DMSO were recorded with Brucker WH-90 (22.62 MHz) and Varian FT-80A (20.13 MHz) spectrometers. The chemical shifts were measured with respect to the signal of the solvent (d/sub 6/-DMSO, 39.6 ppm).

  1. Anti-cancer agents based on 4-(hetero)Ary1-1,2,5-oxadiazol-3-yl Amino derivatives and a method of making

    SciTech Connect (OSTI)

    Gakh, Andrei A.; Krasavin, Mikhail; Karapetian, Ruben; Rufanov, Konstantin A.; Konstantinov, Igor; Godovykh, Elena; Soldatkina, Olga; Sosnov, Andrey V.

    2013-01-29

    The present disclosure relates to novel compounds that can be used as anti-cancer agents in the prostate cancer therapy. ##STR00001## In particular, the invention relates N-substituted derivatives of 4-(hetero)aryl-1,2,5-oxadiazol-3-yl amines having the structural Formula (I) and (II), stereoisomers, tautomers, racemics, prodrugs, metabolites thereof, or pharmaceutically acceptable salt and/or solvate thereof. Meaning of R1 and R2 in the Formula (I) and (II) are defined in claim 1. The invention also relates to methods for preparing said compounds, and to pharmaceutical compositions comprising said compounds.

  2. Reconstructing the stellar mass distributions of galaxies using S{sup 4}G IRAC 3.6 and 4.5 μm images. II. The conversion from light to mass

    SciTech Connect (OSTI)

    Meidt, Sharon E.; Schinnerer, Eva; Van de Ven, Glenn; Querejeta, Miguel; Peletier, Reynier; Knapen, Johan H.; Cisternas, Mauricio; Muñoz-Mateos, Juan-Carlos; Hinz, Joannah L.; De Paz, Armando Gil; Athanassoula, E.; Bosma, Albert; Buta, Ronald J.; Ho, Luis C.; Holwerda, Benne; and others

    2014-06-20

    We present a new approach for estimating the 3.6 μm stellar mass-to-light (M/L) ratio Y{sub 3.6} in terms of the [3.6]-[4.5] colors of old stellar populations. Our approach avoids several of the largest sources of uncertainty in existing techniques using population synthesis models. By focusing on mid-IR wavelengths, we gain a virtually dust extinction-free tracer of the old stars, avoiding the need to adopt a dust model to correctly interpret optical or optical/near-IR colors normally leveraged to assign the mass-to-light ratio Y. By calibrating a new relation between near-IR and mid-IR colors of giant stars observed in GLIMPSE we also avoid the discrepancies in model predictions for the [3.6]-[4.5] colors of old stellar populations due to uncertainties in the molecular line opacities assumed in template spectra. We find that the [3.6]-[4.5] color, which is driven primarily by metallicity, provides a tight constraint on Y{sub 3.6}, which varies intrinsically less than at optical wavelengths. The uncertainty on Y{sub 3.6} of ∼0.07 dex due to unconstrained age variations marks a significant improvement on existing techniques for estimating the stellar M/L with shorter wavelength data. A single Y{sub 3.6} = 0.6 (assuming a Chabrier initial mass function (IMF)), independent of [3.6]-[4.5] color, is also feasible because it can be applied simultaneously to old, metal-rich and young, metal-poor populations, and still with comparable (or better) accuracy (∼0.1 dex) than alternatives. We expect our Y{sub 3.6} to be optimal for mapping the stellar mass distributions in S{sup 4}G galaxies, for which we have developed an independent component analysis technique to first isolate the old stellar light at 3.6 μm from nonstellar emission (e.g., hot dust and the 3.3 polycyclic aromatic hydrocarbon feature). Our estimate can also be used to determine the fractional contribution of nonstellar emission to global (rest-frame) 3.6 μm fluxes, e.g., in WISE imaging, and

  3. Beamline 5.0.3

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

    Beamline 5.0.3 Print Berkeley Center for Structural Biology (BCSB) Monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION ...

  4. Beamline 5.0.3

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

    Beamline 5.0.3 Print Berkeley Center for Structural Biology (BCSB) Monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION...

  5. Disposition of the Dietary Mutagen 2-Amino-3,8-dimethylimidazo[4,5- f ]quinoxaline in Healthy and Pancreatic Cancer Compromised Humans

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

    Malfatti, Michael A.; Kuhn, Edward A.; Turteltaub, Kenneth W.; Vickers, Selwyn M.; Jensen, Eric H.; Strayer, Lori; Anderson, Kristin E.

    2016-02-26

    Pancreatic cancer is the fourth leading cause of cancer death in the U.S. Once diagnosed, prognosis is poor with a 5-year survival rate of less than 5%. Exposure to carcinogenic heterocyclic amines (HCAs) derived from cooked meat has been shown to be positively associated with pancreatic cancer risk. To evaluate the processes that determines the carcinogenic potential of HCAs for human pancreas, 14-carbon labeled 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (MeIQx), a putative human carcinogenic HCA found in well-done cooked meat, was administered at a dietary relevant dose to human volunteers diagnosed with pancreatic cancer undergoing partial pancreatectomy and healthy control volunteers. After 14C-MeIQx exposure,more » blood and urine was collected for pharmacokinetic and metabolite analysis. MeIQx-DNA adducts levels were quantified by accelerator mass spectrometry from pancreatic tissue excised during surgery from the cancer patient group. Pharmacokinetic analysis of plasma revealed a rapid distribution of MeIQx with a plasma elimination half-life of approximately 3.5 hr in 50% of the cancer patients and all of the control volunteers. In 2 of the 4 cancer patients very low levels of MeIQx were detected in plasma and urine suggesting low absorption from the gut into the plasma. Urinary metabolite analysis revealed five MeIQx metabolites with 2-amino-3-methylimidazo[4,5-f]quinoxaline-8-carboxylic acid being the most abundant accounting for 25%–50% of the recovered 14-carbon/ml urine. We found there was no discernable difference in metabolite levels between the cancer patient volunteers and the control group. MeIQx-DNA adduct analysis of pancreas and duodenum tissue revealed adduct levels indistinguishable from background levels. Lastly, although other meat-derived HCA mutagens have been shown to bind DNA in pancreatic tissue, indicating that exposure to HCAs from cooked meat cannot be discounted as a risk factor for pancreatic cancer, the results from this

  6. Molten Salt Mixture Properties (KF-ZrF4 and KCl-MgCl2) for Use in RELAP5-3D for High Temperature Reactor Application

    SciTech Connect (OSTI)

    N. A. Anderson; P. Sabharwall

    2012-06-01

    Molten salt coolants are being investigated as primary coolants for a fluoride high-temperature reactor and as secondary coolants for high temperature reactors such as the next generation nuclear plant. This work provides a review of the thermophysical properties of candidate molten salt coolants for use as a secondary heat transfer medium from a high temperature reactor to a processing plant. The molten salts LiF-NaF-KF, KF-ZrF4 and KCl-MgCl2 were considered for use in the secondary coolant loop. The thermophysical properties necessary to add the molten salts KF-ZrF4 and KCl-MgCl2 to RELAP5-3D were gathered for potential modeling purposes. The properties of the molten salt LiF-NaF-KF were already available in RELAP5-3D. The effect that the uncertainty in individual properties had on the Nusselt number was evaluated. This uncertainty in the Nusselt number was shown to be nearly independent of the molten salt temperature.

  7. Second order phase transition temperature of single crystals of Gd5Si1.3Ge2.7 and Gd5Si1.4Ge2.6

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

    Hadimani, R. L.; Melikhov, Y.; Schlagel, D. L.; Lograsso, T. A.; Dennis, K. W.; McCallum, R. W.; Jiles, D. C.

    2015-01-30

    Gd5(SixGe1–x)4 has mixed phases in the composition range 0.32 < x < 0.41, which have not been widely studied. In this paper, we have synthesized and indexed single crystal samples of Gd5Si1.3Ge2.7 and Gd5Si1.4Ge2.6. In this study, we have investigated the first order and second order phase transition temperatures of these samples using magnetic moment vs. temperature and magnetic moment vs. magnetic field at different temperatures. We have used a modified Arrott plot technique that was developed and reported by us previously to determine the “hidden” second order phase transition temperature of the orthorhombic II phase.

  8. RECONSTRUCTING THE STELLAR MASS DISTRIBUTIONS OF GALAXIES USING S{sup 4}G IRAC 3.6 AND 4.5 {mu}m IMAGES. I. CORRECTING FOR CONTAMINATION BY POLYCYCLIC AROMATIC HYDROCARBONS, HOT DUST, AND INTERMEDIATE-AGE STARS

    SciTech Connect (OSTI)

    Meidt, Sharon E.; Schinnerer, Eva; Bosma, Albert; Athanassoula, E.; Sheth, Kartik; Munoz-Mateos, Juan-Carlos; Buta, Ronald J.; Zaritsky, Dennis; Hinz, Joannah L.; Skibba, Ramin A.; Laurikainen, Eija; Salo, Heikki; Elmegreen, Debra; Elmegreen, Bruce G.; Gadotti, Dimitri A.; Regan, Michael; Ho, Luis C.; Madore, Barry F.; Gil de Paz, Armando; and others

    2012-01-01

    With the aim of constructing accurate two-dimensional maps of the stellar mass distribution in nearby galaxies from Spitzer Survey of Stellar Structure in Galaxies 3.6 and 4.5 {mu}m images, we report on the separation of the light from old stars from the emission contributed by contaminants. Results for a small sample of six disk galaxies (NGC 1566, NGC 2976, NGC 3031, NGC 3184, NGC 4321, and NGC 5194) with a range of morphological properties, dust content, and star formation histories are presented to demonstrate our approach. To isolate the old stellar light from contaminant emission (e.g., hot dust and the 3.3 {mu}m polycyclic aromatic hydrocarbon (PAH) feature) in the IRAC 3.6 and 4.5 {mu}m bands we use an independent component analysis (ICA) technique designed to separate statistically independent source distributions, maximizing the distinction in the [3.6]-[4.5] colors of the sources. The technique also removes emission from evolved red objects with a low mass-to-light ratio, such as asymptotic giant branch (AGB) and red supergiant (RSG) stars, revealing maps of the underlying old distribution of light with [3.6]-[4.5] colors consistent with the colors of K and M giants. The contaminants are studied by comparison with the non-stellar emission imaged at 8 {mu}m, which is dominated by the broad PAH feature. Using the measured 3.6 {mu}m/8 {mu}m ratio to select individual contaminants, we find that hot dust and PAHs together contribute between {approx}5% and 15% to the integrated light at 3.6 {mu}m, while light from regions dominated by intermediate-age (AGB and RSG) stars accounts for only 1%-5%. Locally, however, the contribution from either contaminant can reach much higher levels; dust contributes on average 22% to the emission in star-forming regions throughout the sample, while intermediate-age stars contribute upward of 50% in localized knots. The removal of these contaminants with ICA leaves maps of the old stellar disk that retain a high degree of

  9. Influence of composition modification on Ca{sub 0.5?x}Mg{sub x}Ti{sub 2}(PO{sub 4}){sub 3} (0.0 ? x ? 0.5) nanoparticles as electrodes for lithium batteries

    SciTech Connect (OSTI)

    Vidal-Abarca, C. Aragn, M.J.; Lavela, P.; Tirado, J.L.

    2014-01-01

    Graphical abstract: - Highlights: Cation mixing was determined in the Ca{sub 0.5?x}Mg{sub x}Ti{sub 2}(PO{sub 4}){sub 3} biphasic series. Nanometric Ca{sub 0.15}Mg{sub 0.35}Ti{sub 2}(PO{sub 4}){sub 3} delivered 138 mAh/g at C/20 in lithium cells. Low content of Ca{sup 2+} increases cell volume favoring Li{sup +} insertion in R-3c framework. Diminution of R{sub SEI} and R{sub CT} for Ca{sub 0.15}Mg{sub 0.35}Ti{sub 2}(PO{sub 4}){sub 3} discharged electrodes. Fast electrode response for x = 0.35. - Abstract: The Ca{sub 0.5?x}Mg{sub x}Ti{sub 2}(PO{sub 4}){sub 3} series (0.0 ? x ? 0.5) was prepared by a solgel method. X-ray diffraction patterns showed two rhombohedral phases which coexist for intermediate compositions. Despite of the absence of a solid solution mechanism for the whole stoichiometry range, an appreciable cation mixing was observed in both phases. {sup 31}P MAS NMR spectroscopy revealed that low magnesium contents are incorporated to the calcium compound inducing changes in the ordering of the alkaline earth cations in M{sub 1} sites. Derivative plots of the voltagecapacity curves revealed two reversible regions ascribed to the reduction of Ti{sup 4+} to Ti{sup 3+}, ascribable to the subsequent insertion of lithium ions into M{sub 1} and M{sub 2} vacant sites. Capacity values as high as 138 mAh/g after the first discharge were monitored for nanometric Ca{sub 0.15}Mg{sub 0.35}Ti{sub 2}(PO{sub 4}){sub 3} at C/20. Cell cycling under successive kinetic rates revealed a good capacity retention for samples with x = 0.15 and 0.25. Impedance spectra were recorded in lithium cells discharged after different number of cycles at different C rates. The increase in charge transfer resistance was shown to be an important factor determining the electrode behavior on extended cycling.

  10. Synthesis and crystal structure of two new cerium rhodium oxides: Ce{sub 2/3-x}Rh{sup 3+}{sub 2}O{sub 4} (x{approx}0.12) with Ce mixed valency and Ce{sup 4+}Rh{sup 3+}{sub 2}O{sub 5}

    SciTech Connect (OSTI)

    Mizoguchi, Hiroshi; Zakharov, L.N.; Bhuvanesh, N.S.P.; Sleight, A.W.; Subramanian, M.A.

    2011-06-15

    The new compounds Ce{sub 2/3-x}Rh{sub 2}O{sub 4} (x{approx}0.11-0.14) and CeRh{sub 2}O{sub 5} have been prepared. Their structures were determined from single crystal X-ray diffraction data. Electrical and magnetic properties were also evaluated. Based on the structural analysis and physical properties, oxidation states for CeRh{sub 2}O{sub 5} can be assigned as Ce{sup 4+}Rh{sup 3+}{sub 2}O{sub 5}. A small variation in x was detected for Ce{sub 2/3-x}Rh{sub 2}O{sub 4} indicating a formula ranging from Ce{sup 3.64+}{sub 0.55}Rh{sup 3+}{sub 2}O{sub 4} to Ce{sup 3.81+}{sub 0.525}Rh{sup 3+}{sub 2}O{sub 4}. - Graphical abstract: The new compounds Ce{sub 2/3-x}Rh{sub 2}O{sub 4} (x{approx}0.11-0.14) and CeRh{sub 2}O{sub 5} have been prepared and their structures were determined from single crystal X-ray diffraction data. Electrical and magnetic properties were also evaluated. Highlights: > The new compounds CeRh{sub 2}O{sub 5} and Ce{sub 2/3-x}Rh{sub 2}O{sub 4} (x{approx}0.11-0.14) have been prepared. > Their structures were determined from single crystal X-ray diffraction data. > Valence picture is Ce{sup 4+}Rh{sup 3+}{sub 2}O{sub 5} and Ce{sup 3.64+}{sub 0.55}Rh{sup 3+}{sub 2}O{sub 4} to Ce{sup 3.81+}{sub 0.525}Rh{sup 3+}{sub 2}O{sub 4}.

  11. Haplotypes in the APOA1-C3-A4-A5 gene cluster affect plasma lipids in both humans and baboons

    SciTech Connect (OSTI)

    Wang, Qian-fei; Liu, Xin; O'Connell, Jeff; Peng, Ze; Krauss, Ronald M.; Rainwater, David L.; VandeBerg, John L.; Rubin, Edward M.; Cheng, Jan-Fang; Pennacchio, Len A.

    2003-09-15

    Genetic studies in non-human primates serve as a potential strategy for identifying genomic intervals where polymorphisms impact upon human disease-related phenotypes. It remains unclear, however, whether independently arising polymorphisms in orthologous regions of non-human primates leads to similar variation in a quantitative trait found in both species. To explore this paradigm, we studied a baboon apolipoprotein gene cluster (APOA1/C3/A4/A5) for which the human gene orthologs have well established roles in influencing plasma HDL-cholesterol and triglyceride concentrations. Our extensive polymorphism analysis of this 68 kb gene cluster in 96 pedigreed baboons identified several haplotype blocks each with limited diversity, consistent with haplotype findings in humans. To determine whether baboons, like humans, also have particular haplotypes associated with lipid phenotypes, we genotyped 634 well characterized baboons using 16 haplotype tagging SNPs. Genetic analysis of single SNPs, as well as haplotypes, revealed an association of APOA5 and APOC3 variants with HDL cholesterol and triglyceride concentrations, respectively. Thus, independent variation in orthologous genomic intervals does associate with similar quantitative lipid traits in both species, supporting the possibility of uncovering human QTL genes in a highly controlled non-human primate model.

  12. Structure and optical homogeneity of LiNbO{sub 3}:Zn (0.03–4.5 mol.%) crystals

    SciTech Connect (OSTI)

    Sidorov, Nikolay E-mail: tepl-na@chemy.kolasc.net.ru E-mail: Jovial1985@yandex.ru Tepljakova, Natalja E-mail: tepl-na@chemy.kolasc.net.ru E-mail: Jovial1985@yandex.ru Gabain, Aleksei E-mail: tepl-na@chemy.kolasc.net.ru E-mail: Jovial1985@yandex.ru Yanichev, Aleksander E-mail: tepl-na@chemy.kolasc.net.ru E-mail: Jovial1985@yandex.ru Palatnikov, Mikhail E-mail: tepl-na@chemy.kolasc.net.ru E-mail: Jovial1985@yandex.ru

    2014-11-14

    Structure and optical homogeneity of LiNbO{sub 3}:Zn (0.03–4.5 mol.%) crystals were searched by photoinduced light scattering and by Raman spectroscopy. The photorefractive effect depends on Zn{sup 2+} concentration nonmonotonically. Decrease of photorefractive effect is explained by decrease of structure defects with localized electrons. The Zn{sup 2+} cations replace structure defects Nb{sub Li} and Li{sub Nb}, trapping levels appear near the bottom of the conduction band and photo electrons recombine with emission under laser radiation. By the Raman spectra the area of the high structure order is found. In this area the own alternation, the alternation of impurity cations and the vacancies along the polar axis is almost perfect.

  13. Organometallic complexes of bulky, optically active, C3-symmetric tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)

    SciTech Connect (OSTI)

    Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.

    2015-07-16

    A bulky, optically active monoanionic scorpionate ligand, tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*), is synthesized from the naturally occurring amino acid l-valine as its lithium salt, Li[ToP*] (1). That compound is readily converted to the thallium complex Tl[ToP*] (2) and to the acid derivative H[ToP*] (3). Group 7 tricarbonyl complexes ToP*M(CO)3 (M = Mn (4), Re (5)) are synthesized by the reaction of MBr(CO)5 and Li[ToP*] and are crystallographically characterized. The νCO bands in their infrared spectra indicate that π back-donation in the rhenium compounds is greater with ToP* than with non-methylated tris(4S-isopropyl-2-oxazolinyl)phenylborate (ToP). The reaction of H[ToP*] and ZnEt2 gives ToP*ZnEt (6), while ToP*ZnCl (7) is synthesized from Li[ToP*] and ZnCl2. The reaction of ToP*ZnCl and KOtBu followed by addition of PhSiH3 provides the zinc hydride complex ToP*ZnH (8). In this study, compound 8 is the first example of a crystallographically characterized optically active zinc hydride. We tested its catalytic reactivity in the cross-dehydrocoupling of silanes and alcohols, which provided Si-chiral silanes with moderate enantioselectivity.

  14. table3.5_02

    Gasoline and Diesel Fuel Update (EIA)

    ... Wood Chips, Bark Table 3.5 Selected Byproducts in Fuel Consumption, 2002; Level: National ... Notes: To obtain the RSE percentage for any table cell, multiply the cell's corresponding ...

  15. Variation of the Side Chain Branch Position Leads to Vastly Improved Molecular Weight and OPV Performance in 4,8-dialkoxybenzo[1,2-b:4,5-b′]dithiophene/2,1,3-benzothiadiazole Copolymers

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

    Coffin, Robert C.; MacNeill, Christopher M.; Peterson, Eric D.; Ward, Jeremy W.; Owen, Jack W.; McLellan, Claire A.; Smith, Gregory M.; Noftle, Ronald E.; Jurchescu, Oana D.; Carroll, David L.

    2011-01-01

    Tmore » hrough manipulation of the solubilizing side chains, we were able to dramatically improve the molecular weight ( M w ) of 4,8-dialkoxybenzo[1,2- b :4,5- b ′ ]dithiophene (BDT)/2,1,3-benzothiadiazole (BT) copolymers. When dodecyl side chains ( P1 ) are employed at the 4- and 8-positions of the BDT unit, we obtain a chloroform-soluble copolymer fraction with M w of 6.3 kg/mol. Surprisingly, by moving to the commonly employed 2-ethylhexyl branch ( P2 ), M w decreases to 3.4 kg/mol.his is despite numerous reports that this side chain increases solubility and M w . By moving the ethyl branch in one position relative to the polymer backbone (1-ethylhexyl, P3 ), M w is dramatically increased to 68.8 kg/mol. As a result of this M w increase, the shape of the absorption profile is dramatically altered, with λ max = 637 nm compared with 598 nm for P1 and 579 nm for P2 .he hole mobility as determined by thin film transistor (TFT) measurements is improved from ~ 1 × 10 − 6  cm 2 /Vs for P1 and P2 to 7 × 10 − 4  cm 2 /Vs for P3 , while solar cell power conversion efficiency in increased to 2.91 % for P3 relative to 0.31 % and 0.19 % for P1 and P2 , respectively.« less

  16. Biomimetic Actinide Chelators: An Update on the Preclinical Development of the Orally Active Hydroxypyridonate Decorporation Agents 3,4,3-LI(1,2-HOPO) and 5-LIO(Me-3,2-HOPO)

    SciTech Connect (OSTI)

    Durbin, Patricia W.; Kullgren, Birgitta; Ebbe, Shirley N.; Xu, Jide; Chang, Polly Y.; Bunin, Deborah I.; Blakely, Eleanor A.; Bjornstad, Kathleen A.; Rosen, Chris J.; Shuh, David K.; Raymond, Kenneth N.

    2011-07-13

    The threat of a dirty bomb or other major radiological contamination presents a danger of large-scale radiation exposure of the population. Because major components of such contamination are likely to be actinides, actinide decorporation treatments that will reduce radiation exposure must be a priority. Current therapies for the treatment of radionuclide contamination are limited and extensive efforts must be dedicated to the development of therapeutic, orally bioavailable, actinide chelators for emergency medical use. Using a biomimetic approach based on the similar biochemical properties of plutonium(IV) and iron(III), siderophore-inspired multidentate hydroxypyridonate ligands have been designed and are unrivaled in terms of actinide-affinity, selectivity, and efficiency. A perspective on the preclinical development of two hydroxypyridonate actinide decorporation agents, 3,4,3-LI(1,2-HOPO) and 5-LIO(Me-3,2-HOPO), is presented. The chemical syntheses of both candidate compounds have been optimized for scale-up. Baseline preparation and analytical methods suitable for manufacturing large amounts have been established. Both ligands show much higher actinide-removal efficacy than the currently approved agent, diethylenetriaminepentaacetic acid (DTPA), with different selectivity for the tested isotopes of plutonium, americium, uranium and neptunium. No toxicity is observed in cells derived from three different human tissue sources treated in vitro up to ligand concentrations of 1 mM, and both ligands were well tolerated in rats when orally administered daily at high doses (>100 micromol kg d) over 28 d under good laboratory practice guidelines. Both compounds are on an accelerated development pathway towards clinical use.

  17. Microstructure, magnetic and electric properties of BaTiO{sub 3}Ni{sub 0.5}Zn{sub 0.5}Fe{sub 1.5}Cr{sub 0.5}O{sub 4} nanocomposite

    SciTech Connect (OSTI)

    Mohamed, Mohamed Bakr; El-Sayed, Karimat

    2013-05-15

    Highlights: ? BaTiO{sub 3}/Ni{sub 0.5}Zn{sub 0.5}Fe{sub 1.5}Cr{sub 0.5}O{sub 4} nanocomposites were synthesized by the solgel method. ? A large induced strain is induced in the composite. ? The ferroelectric phase transition dependence on the amount of ferrite. - Abstract: xBaTiO{sub 3} + (1 ? x)Ni{sub 0.5}Zn{sub 0.5}Fe{sub 1.5}Cr{sub 0.5}O{sub 4} (x = 0.35, 0.5, 0.65) nanocomposites were synthesized by the solgel method. The two corresponding intended nanocomposites phases were confirmed by X-ray diffraction, no other foreign phases were present. The microstrain of the nanocomposite was found to depend on the ratio amount of BaTiO{sub 3} (BTO) in the nanocomposites. The tetragonality ratio c/a of BTO approximates its values to be (a = c) at concentration of 65% BTO. Magnetic properties showed superparamgnetic behavior at room temperature. The temperature dependent of dielectric constant measurements showed that the Curie temperature (T{sub c}) of the ferroelectric phase transition varies with different composites ratio. The dielectric properties of the composite increased with increase of ferrite content. The compressed stress generated by the lattice mismatch of the in planes at the interface of the ferroelectric and magnetic phases cause large strain. The mediation of this strain causes strong electromagnetic coupling creating new materials with good quality.

  18. Investigation of the pressure dependent thermodynamic and elastic properties of 1,3,5-triamino-2,4,6-trinitrobenzene using dispersion corrected density functional theory

    SciTech Connect (OSTI)

    Rykounov, A. A.

    2015-06-07

    The influence of pressure on the thermodynamic, structural, and elastic properties of the 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) molecular crystal at T = 0 is systematically studied. Calculations are carried out using density functional theory methods in a plane wave basis set with dispersion corrections for the exchange-correlation part of total energy, and ultrasoft pseudopotentials. The equilibrium unit cell parameters, the cold compression curve in the pressure range of 0–50 GPa and the sound speeds are computed. The effect of finite pressure on the molecular structure of TATB is elucidated from the analysis of relative changes in the intra- and intermolecular geometrical parameters. For the first time, the full set of elastic constants of this crystal at zero and non-zero pressures is determined from ab initio calculations. The resulted structural, elastic, and acoustic properties of TATB are shown to be in a good agreement with available experimental and theoretical data.

  19. Beamline 4.0.3

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

    4.0.3 Beamline 4.0.3 Print Tuesday, 20 October 2009 08:30 High-resolution spectroscopy of complex materials (MERLIN) Endstations: 4.0.3.1: High-resolution inelastic scattering (MERIXS) 4.0.3.2: Angle-resolved photoemission spectroscopy (ARPES) GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics 9.0-cm-period quasiperiodic elliptical polarization undulator (EPU9) Energy range 9eV-120eV with current gratings Monochromator Variable-included-angle spherical grating monochromator

  20. Beamline 1.4.3

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

    Beamline 1.4.3 Print FTIR spectromicroscopy Scientific disciplines: Biology, correlated electron systems, environmental science, geology, chemistry, polymers, soft materials...

  1. Beamline 1.4.3

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

    1.4.3 Print FTIR spectromicroscopy Scientific disciplines: Biology, correlated electron systems, environmental science, geology, chemistry, polymers, soft materials GENERAL...

  2. RELAP5-3D User Problems

    SciTech Connect (OSTI)

    Riemke, Richard Allan

    2001-09-01

    The Reactor Excursion and Leak Analysis Program with 3D capability1 (RELAP5-3D) is a reactor system analysis code that has been developed at the Idaho National Engineering and Environmental Laboratory (INEEL) for the U. S. Department of Energy (DOE). The 3D capability in RELAP5-3D includes 3D hydrodynamics2 and 3D neutron kinetics3,4. Assessment, verification, and validation of the 3D capability in RELAP5-3D is discussed in the literature5,6,7,8,9. Additional assessment, verification, and validation of the 3D capability of RELAP5-3D will be presented in other papers in this users seminar. As with any software, user problems occur. User problems usually fall into the categories of input processing failure, code execution failure, restart/renodalization failure, unphysical result, and installation. This presentation will discuss some of the more generic user problems that have been reported on RELAP5-3D as well as their resolution.

  3. RELAP5-3D User Problems

    SciTech Connect (OSTI)

    Riemke, Richard Allan

    2002-09-01

    The Reactor Excursion and Leak Analysis Program with 3D capability1 (RELAP5-3D) is a reactor system analysis code that has been developed at the Idaho National Engineering and Environmental Laboratory (INEEL) for the U. S. Department of Energy (DOE). The 3D capability in RELAP5-3D includes 3D hydrodynamics2 and 3D neutron kinetics3,4. Assessment, verification, and validation of the 3D capability in RELAP5-3D is discussed in the literature5,6,7,8,9,10. Additional assessment, verification, and validation of the 3D capability of RELAP5-3D will be presented in other papers in this users seminar. As with any software, user problems occur. User problems usually fall into the categories of input processing failure, code execution failure, restart/renodalization failure, unphysical result, and installation. This presentation will discuss some of the more generic user problems that have been reported on RELAP5-3D as well as their resolution.

  4. Spectroscopy and isotope shifts of the 4s3d {sup 1}D{sub 2}-4s5p {sup 1}P{sub 1} repumping transition in magneto-optically trapped calcium atoms

    SciTech Connect (OSTI)

    Dammalapati, U.; Norris, I.; Burrows, C.; Arnold, A. S.; Riis, E.

    2010-02-15

    We investigate a repumping scheme for magneto-optically trapped calcium atoms. It is based on excitation of the 4s3d{sup 1}D{sub 2}-4s5p{sup 1}P{sub 1} transition at 672 nm with an extended cavity diode laser. The effect of the repumping is approximately a factor of three increase in trap lifetime and a doubling of the trapping efficiency from a Zeeman slowed thermal beam. Added to this, the 672-nm laser repumps atoms from an otherwise dark state to yield an overall increase in detected fluorescence signal from the magneto-optic trap (MOT) of more than an order of magnitude. Furthermore, we report isotope shift measurements of the 672-nm transition, for the first time, for four naturally occurring even isotopes. Using available charge radii data, the observed shifts, extending up to 4.3 GHz, display the expected linear dependence in a King plot analysis. The measured shifts are used to determine the isotope shifts of the remaining {sup 41,43,46}Ca isotopes. These might be of interest where less abundant isotopes are used enabling isotope selective repumping, resulting in enhanced trapping and detection efficiencies.

  5. An indoxyl compound 5-bromo-4-chloro-3-indolyl 1,3-diacetate, CAC-0982, suppresses activation of Fyn kinase in mast cells and IgE-mediated allergic responses in mice

    SciTech Connect (OSTI)

    Lee, Jun Ho; Kim, Tae Hyung; Kim, Hyuk Soon; Kim, A-Ram; Kim, Do-Kyun; Nam, Seung Taek; Kim, Hyun Woo; Park, Young Hwan; Her, Erk; Park, Yeong Min; Kim, Hyung Sik; Kim, Young Mi; Choi, Wahn Soo

    2015-06-15

    Mast cells, constituents of virtually all organs and tissues, are critical cells in IgE-mediated allergic responses. The aim of this study was to investigate the effect and mechanism of an indoxyl chromogenic compound, 5-bromo-4-chloro-3-indolyl 1,3-diacetate, CAC-0982, on IgE-mediated mast cell activation and allergic responses in mice. CAC-0982 reversibly suppressed antigen-stimulated degranulation in murine mast cells (IC{sub 50}, ~ 3.8 μM) and human mast cells (IC{sub 50}, ~ 3.0 μM). CAC-0982 also inhibited the expression and secretion of IL-4 and TNF-α in mast cells. Furthermore, CAC-0982 suppressed the mast cell-mediated allergic responses in mice in a dose-dependent manner (ED{sub 50} 27.9 mg/kg). As for the mechanism, CAC-0982 largely suppressed the phosphorylation of Syk and its downstream signaling molecules, including LAT, Akt, Erk1/2, p38, and JNK. Notably, the tyrosine kinase assay of antigen-stimulated mast cells showed that CAC-0982 inhibited Fyn kinase, one of the upstream tyrosine kinases for Syk activation in mast cells. Taken together, these results suggest that CAC-0982 may be used as a new treatment for regulating IgE-mediated allergic diseases through the inhibition of the Fyn/Syk pathway in mast cells. - Highlights: • The anti-allergic effect of 5-bromo-4-chloro-3-indolyl 1,3-diacetate, CAC-0982, was measured. • CAC-0982 reversibly suppressed the activation of mast cells by IgE and antigen. • CAC-0982 inhibited passive cutaneous anaphylaxis in mice. • CAC-0982 suppresses mast cells through inhibition of Fyn activation in mast cells.

  6. Beamline 4.0.3

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

    Beamline 4.0.3 Print High-resolution spectroscopy of complex materials (MERLIN) Endstations: 4.0.3.1: High-resolution inelastic scattering (MERIXS) 4.0.3.2: Angle-resolved photoemission spectroscopy (ARPES) GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics 9.0-cm-period quasiperiodic elliptical polarization undulator (EPU9) Energy range 9eV-120eV with current gratings Monochromator Variable-included-angle spherical grating monochromator (SGM) Calculated flux (1.9 GeV, 400 mA)

  7. Beamline 4.0.3

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

    Beamline 4.0.3 Print High-resolution spectroscopy of complex materials (MERLIN) Endstations: 4.0.3.1: High-resolution inelastic scattering (MERIXS) 4.0.3.2: Angle-resolved photoemission spectroscopy (ARPES) GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics 9.0-cm-period quasiperiodic elliptical polarization undulator (EPU9) Energy range 9eV-120eV with current gratings Monochromator Variable-included-angle spherical grating monochromator (SGM) Calculated flux (1.9 GeV, 400 mA)

  8. Beamline 4.0.3

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

    Beamline 4.0.3 Print High-resolution spectroscopy of complex materials (MERLIN) Endstations: 4.0.3.1: High-resolution inelastic scattering (MERIXS) 4.0.3.2: Angle-resolved photoemission spectroscopy (ARPES) GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics 9.0-cm-period quasiperiodic elliptical polarization undulator (EPU9) Energy range 9eV-120eV with current gratings Monochromator Variable-included-angle spherical grating monochromator (SGM) Calculated flux (1.9 GeV, 400 mA)

  9. Beamline 4.0.3

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

    Beamline 4.0.3 Print High-resolution spectroscopy of complex materials (MERLIN) Endstations: 4.0.3.1: High-resolution inelastic scattering (MERIXS) 4.0.3.2: Angle-resolved photoemission spectroscopy (ARPES) GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics 9.0-cm-period quasiperiodic elliptical polarization undulator (EPU9) Energy range 9eV-120eV with current gratings Monochromator Variable-included-angle spherical grating monochromator (SGM) Calculated flux (1.9 GeV, 400 mA)

  10. 3,5,4?-Trimethoxystilbene, a natural methoxylated analog of resveratrol, inhibits breast cancer cell invasiveness by downregulation of PI3K/Akt and Wnt/?-catenin signaling cascades and reversal of epithelialmesenchymal transition

    SciTech Connect (OSTI)

    Tsai, Jie-Heng; Hsu, Li-Sung; Lin, Chih-Li; Hong, Hui-Mei; Pan, Min-Hsiung; Way, Tzong-Der; Chen, Wei-Jen

    2013-11-01

    The molecular basis of epithelialmesenchymal transition (EMT) functions as a potential therapeutic target for breast cancer because EMT may endow breast tumor-initiating cells with stem-like characteristics and enable the dissemination of breast cancer cells. We have recently verified the antitumor activity of 3,5,4?-trimethoxystilbene (MR-3), a naturally methoxylated derivative of resveratrol, in colorectal cancer xenografts via an induction of apoptosis. The effect of MR-3 on EMT and the invasiveness of human MCF-7 breast adenocarcinoma cell line were also explored. We found that MR-3 significantly increased epithelial marker E-cadherin expression and triggered a cobblestone-like morphology of MCF-7 cells, while reciprocally decreasing the expression of mesenchymal markers, such as snail, slug, and vimentin. In parallel with EMT reversal, MR-3 downregulated the invasion and migration of MCF-7 cells. Exploring the action mechanism of MR-3 on the suppression of EMT and invasion indicates that MR-3 markedly reduced the expression and nuclear translocation of ?-catenin, accompanied with the downregulation of ?-catenin target genes and the increment of membrane-bound ?-catenin. These results suggest the involvement of Wnt/?-catenin signaling in the MR-3-induced EMT reversion of MCF-7 cells. Notably, MR-3 restored glycogen synthase kinase-3? activity by inhibiting the phosphorylation of Akt, the event required for ?-catenin destruction via a proteasome-mediated system. Overall, these findings indicate that the anti-invasive activity of MR-3 on MCF-7 cells may result from the suppression of EMT via down-regulating phosphatidylinositol 3-kinase (PI3K)/AKT signaling, and consequently, ?-catenin nuclear translocation. These occurrences ultimately lead to the blockage of EMT and the invasion of breast cancer cells. - Highlights: MR-3 blocked MCF-7 cell invasion by inducing a reversal of EMT. Wnt/?-catenin signaling is involved in MR-3-induced EMT reversion of MCF-7

  11. Beamline 4.0.3

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

    3 Print High-resolution spectroscopy of complex materials (MERLIN) Endstations: 4.0.3.1: High-resolution inelastic scattering (MERIXS) 4.0.3.2: Angle-resolved photoemission spectroscopy (ARPES) GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics 9.0-cm-period quasiperiodic elliptical polarization undulator (EPU9) Energy range 9eV-120eV with current gratings Monochromator Variable-included-angle spherical grating monochromator (SGM) Calculated flux (1.9 GeV, 400 mA) 1012

  12. Beamline 4.0.3

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

    3 Print High-resolution spectroscopy of complex materials (MERLIN) Endstations: 4.0.3.1: High-resolution inelastic scattering (MERIXS) 4.0.3.2: Angle-resolved photoemission spectroscopy (ARPES) GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics 9.0-cm-period quasiperiodic elliptical polarization undulator (EPU9) Energy range 9eV-120eV with current gratings Monochromator Variable-included-angle spherical grating monochromator (SGM) Calculated flux (1.9 GeV, 400 mA) 1012

  13. Beamline 4.0.3

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

    3 Print High-resolution spectroscopy of complex materials (MERLIN) Endstations: 4.0.3.1: High-resolution inelastic scattering (MERIXS) 4.0.3.2: Angle-resolved photoemission spectroscopy (ARPES) GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics 9.0-cm-period quasiperiodic elliptical polarization undulator (EPU9) Energy range 9eV-120eV with current gratings Monochromator Variable-included-angle spherical grating monochromator (SGM) Calculated flux (1.9 GeV, 400 mA) 1012

  14. Beamline 4.0.3

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

    3 Print High-resolution spectroscopy of complex materials (MERLIN) Endstations: 4.0.3.1: High-resolution inelastic scattering (MERIXS) 4.0.3.2: Angle-resolved photoemission spectroscopy (ARPES) GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics 9.0-cm-period quasiperiodic elliptical polarization undulator (EPU9) Energy range 9eV-120eV with current gratings Monochromator Variable-included-angle spherical grating monochromator (SGM) Calculated flux (1.9 GeV, 400 mA) 1012

  15. Beamline 4.0.3

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

    3 Print High-resolution spectroscopy of complex materials (MERLIN) Endstations: 4.0.3.1: High-resolution inelastic scattering (MERIXS) 4.0.3.2: Angle-resolved photoemission spectroscopy (ARPES) GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics 9.0-cm-period quasiperiodic elliptical polarization undulator (EPU9) Energy range 9eV-120eV with current gratings Monochromator Variable-included-angle spherical grating monochromator (SGM) Calculated flux (1.9 GeV, 400 mA) 1012

  16. Beamline 4.0.3

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

    3 Print High-resolution spectroscopy of complex materials (MERLIN) Endstations: 4.0.3.1: High-resolution inelastic scattering (MERIXS) 4.0.3.2: Angle-resolved photoemission spectroscopy (ARPES) GENERAL BEAMLINE INFORMATION Operational 2011 Source characteristics 9.0-cm-period quasiperiodic elliptical polarization undulator (EPU9) Energy range 9eV-120eV with current gratings Monochromator Variable-included-angle spherical grating monochromator (SGM) Calculated flux (1.9 GeV, 400 mA) 1012

  17. Synthesis, structure, and physical properties of [Sm(C{sub 6}NO{sub 2}H{sub 5}){sub 3}(H{sub 2}O){sub 2}]{sub 2n}.(H{sub 5}O{sub 2}){sub n}(ZnCl{sub 5}){sub n}(ZnCl{sub 4}){sub 2n}.(H{sub 2}O){sub 2n} with unprecedented ZnCl{sub 5}{sup 3-} species

    SciTech Connect (OSTI)

    Xie Yiming Chen Wentong; Wu Jihuai

    2008-08-15

    A novel bimetallic 4f-3d metal-isonicotinic acid inorganic-organic hybrid complex [Sm(C{sub 6}NO{sub 2}H{sub 5}){sub 3}(H{sub 2}O){sub 2}]{sub 2n}.(H{sub 5}O{sub 2}){sub n}(ZnCl{sub 5}){sub n}(ZnCl{sub 4}){sub 2n}.(H{sub 2}O){sub 2n} (1) has been synthesized via hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Complex 1 is characteristic of a one-dimensional polycationic chain-like structure and unprecedented ZnCl{sub 5}{sup 3-} species. Photoluminescent investigation reveals that the title complex displays interesting emissions in a wide region. Optical absorption spectra of 1 reveal the presence of an optical gap of 3.59 eV. - Graphical abstract: A novel bimetallic 4f-3d metal-isonicotinic acid inorganic-organic hybrid complex was synthesized. It is characteristic of a one-dimensional polycationic chain-like structure. Photoluminescent investigation reveals that the title complex displays interesting emissions in a wide region. Optical absorption spectra of 1 reveal the presence of a wide optical bandgap.

  18. NON-NRC FUNDED RELAP5-3D VERSION 4.x.x SOFTWARE REACTOR EXCURSION AND LEAK ANALYSIS PACKAGE - THREE DIMENSIONAL

    SciTech Connect (OSTI)

    2012-03-26

    The RELAP5-3D Version 3.x code has been developed for best-estimate transient simulation of nuclear reactor coolant systems during postulated accidents. The code models the coupled behavior of the reactor coolant system and the core for loss-of-coolant accidents and operational transients such as anticipated transient without scram, loss of offsite power, loss of feedwater, and loss of flow. A generic modeling approach is used that permits simulating a variety of thermal hydraulic systems including pressurized water reactors, boiling water reactors, Soviet-designed reactors, heavy water reactors, gas-cooled reactors, liquid metal and molten salt cooled reactors, and even fusion reactors. Numerical models include multi-dimensional hydrodynamics, 1- and 2-D heat transfer in metal walls, 0-, 1-, 2-, and 3-D neutron kinetics, trips, and control systems. Secondary system components are included to permit modeling of plant controls, turbines, condensers, and secondary feedwater systems.

  19. NON-NRC FUNDED RELAP5-3D VERSION 4.x.x SOFTWARE REACTOR EXCURSION AND LEAK ANALYSIS PACKAGE - THREE DIMENSIONAL

    Energy Science and Technology Software Center (OSTI)

    2012-03-26

    The RELAP5-3D Version 3.x code has been developed for best-estimate transient simulation of nuclear reactor coolant systems during postulated accidents. The code models the coupled behavior of the reactor coolant system and the core for loss-of-coolant accidents and operational transients such as anticipated transient without scram, loss of offsite power, loss of feedwater, and loss of flow. A generic modeling approach is used that permits simulating a variety of thermal hydraulic systems including pressurized watermore » reactors, boiling water reactors, Soviet-designed reactors, heavy water reactors, gas-cooled reactors, liquid metal and molten salt cooled reactors, and even fusion reactors. Numerical models include multi-dimensional hydrodynamics, 1- and 2-D heat transfer in metal walls, 0-, 1-, 2-, and 3-D neutron kinetics, trips, and control systems. Secondary system components are included to permit modeling of plant controls, turbines, condensers, and secondary feedwater systems.« less

  20. S M Stoller Pinellas Environmental Restoration Project - 4.5...

    Office of Legacy Management (LM)

    ... 3.8 anr Chromium 10 .4 anr Cobalt 50 .5 Copper 25 .4 Iron 300 7.1 2.8 <300 Lead 5.0 1.2 ... anr Calcium anr Chromium anr Cobalt Copper Iron 1090 1110 1.8 0-14 1090 27800 27000 ...

  1. Site characterization plan: Yucca Mountain Site, Nevada Research and Development Area, Nevada: Volume 2, Part A: Chapters 3, 4, and 5

    SciTech Connect (OSTI)

    1988-12-01

    This site characterization plan (SCP) has been developed for the candidate repository site at Yucca Mountain in the State of Nevada. The SCP includes a description of the Yucca Mountain site (Chapters 1--5), a conceptual design for the repository (Chapter 6), a description of the packaging to be used for the waste to be emplaced in the repository (Chapter 7), and a description of the planned site characterization activities (Chapter 8). The schedules and milestones presented in Sections 8.3 and 8.5 of the SCP were developed to be consistent with the June 1988 draft Amendment to the DOE`s Mission Plan for the Civilian Radioactive Waste Management Program. The five month delay in the scheduled start of exploratory shaft construction that was announced recently is not reflected in these schedules. 575 refs., 84 figs., 68 tabs.

  2. Selective adsorption in two porous triazolate–oxalate-bridged antiferromagnetic metal-azolate frameworks obtained via in situ decarboxylation of 3-amino-1,2,4-triazole-5-carboxylic acid

    SciTech Connect (OSTI)

    Hou, Juan-Juan; Xu, Xia; Jiang, Ning; Wu, Ya-Qin; Zhang, Xian-Ming

    2015-03-15

    Solvothermal reactions of metal salts, 3-amino-1,2,4-triazole-5-carboxylic acid (H{sub 2}atzc) and ammonium oxalate in different temperature produced two metal azolate frameworks, namely, [Cu{sub 3}(atzc){sub 2}(atz)(ox)]·1.5H{sub 2}O (1) and [Co{sub 5}(atz){sub 4}(ox){sub 3}(HCOO){sub 2}]·DMF (2) (H{sub 2}atzc=3-amino-1,2,4-triazole-5-carboxylic acid, Hatz=3-amino-1,2,4-triazole, and ox=oxalate), in which the atzc precusor was in situ decarboxylated. Structural determination reveals that 1 contains [Cu{sub 3}(atzc){sub 2}(atz)]{sup 2−} layers of mixed μ{sub 4}-atzc and μ{sub 3}-atz ligands, which are pillared by ox{sup 2−} groups to form a 3D porous framework. Compound 2 contains 2D layers with basic spindle-shaped decanuclear units, which extended by ox{sup 2−} and formates to form 3D porous framework. Gas adsorption investigation revealed that two kinds of frameworks exhibited selective CO{sub 2} over N{sub 2} sorption. Moreover, activated 2 shows H{sub 2} storage capacity. Additionally, magnetic properties of both the compounds have been investigated. - Graphical abstract: Solvothermal reactions of metal salts, 3-amino-1,2,4-triazole-5-carboxylate and oxalate produced two metal azolate frameworks, which could store gas molecules, especially H{sub 2} due to small pores. in situ decarboxylation of precursor was observed. - Highlights: • Two MAFs were synthesized via in situ decarboxylation of H{sub 2}atzc. • Both activated frameworks exhibited selective CO{sub 2} over N{sub 2} sorption. • Activated 2 could adsorb H{sub 2}, which makes it promising candidates for gas storage.

  3. Synthesis, structure and properties of new chain cuprates, Na{sub 3}Cu{sub 2}O{sub 4} and Na{sub 8}Cu{sub 5}O{sub 10}

    SciTech Connect (OSTI)

    Sofin, Mikhail; Peters, Eva-Maria; Jansen, Martin . E-mail: jansen@fkf.mpg.de

    2005-12-15

    Na{sub 3}Cu{sub 2}O{sub 4} and Na{sub 8}Cu{sub 5}O{sub 10} were prepared via the azide/nitrate route from stoichiometric mixtures of the precursors CuO, NaN{sub 3} and NaNO{sub 3}. Single crystals have been grown by subsequent annealing of the as prepared powders at 500 deg. C for 2000h in silver crucibles, which were sealed in glass ampoules under dried Ar. According to the X-ray analysis of the crystal structures (Na{sub 3}Cu{sub 2}O{sub 4}: P2{sub 1}/n, Z=4, a=5.7046(2), b=11.0591(4), c=8.0261(3)A, {beta}=108.389(1){sup o}, 2516 independent reflections, R{sub 1}(all)=0.0813, wR{sub 2} (all)=0.1223; Na{sub 8}Cu{sub 5}O{sub 10}: Cm, Z=2, a=8.228(1), b=13.929(2), c=5.707(1)A, {beta}=111.718(2){sup o}, 2949 independent reflections, R{sub 1}(all)=0.0349, wR{sub 2} (all)=0.0850), the main feature of both crystal structures are CuO{sub 2} chains built up from planar, edge-sharing CuO{sub 4} squares. From the analysis of the Cu-O bond lengths, the valence states of either +2 or +3 can be unambiguously assigned to each copper atom. In Na{sub 3}Cu{sub 2}O{sub 4} these ions alternate in the chains, in Na{sub 8}Cu{sub 5}O{sub 10} the periodically repeated part consists of five atoms according to Cu{sup II}-Cu{sup II}-Cu{sup III}-Cu{sup II}-Cu{sup III}. The magnetic susceptibilities show the dominance of antiferromagnetic interactions. At high temperatures the compounds exhibit Curie-Weiss behaviour (Na{sub 3}Cu{sub 2}O{sub 4}: {mu}=1.7{mu}{sub B}, {theta}=-160K, Na{sub 8}Cu{sub 5}O{sub 10}: {mu}=1.8{mu}{sub B}, {theta}=-58K, magnetic moments per divalent copper ion). Antiferromagmetic ordering is observed to occur in these compounds below 13K (Na{sub 3}Cu{sub 2}O{sub 4}) and 24K (Na{sub 8}Cu{sub 5}O{sub 10})

  4. Beamline 1.4.3

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

    Beamline 1.4.3 Print FTIR spectromicroscopy Scientific disciplines: Biology, correlated electron systems, environmental science, geology, chemistry, polymers, soft materials GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 0.05-1.2 eV Frequency range 650 - 10,000 cm-1 Interferometer resolution Up to 0.125 cm-1 Endstations Nicolet Magna 760 FTIR, Nic-Plan IR Microscope (N2 purged) Characteristics Motorized sample stage, 0.1-micron resolution,

  5. Beamline 1.4.3

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

    Beamline 1.4.3 Print FTIR spectromicroscopy Scientific disciplines: Biology, correlated electron systems, environmental science, geology, chemistry, polymers, soft materials GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 0.05-1.2 eV Frequency range 650 - 10,000 cm-1 Interferometer resolution Up to 0.125 cm-1 Endstations Nicolet Magna 760 FTIR, Nic-Plan IR Microscope (N2 purged) Characteristics Motorized sample stage, 0.1-micron resolution,

  6. Beamline 1.4.3

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

    Beamline 1.4.3 Print FTIR spectromicroscopy Scientific disciplines: Biology, correlated electron systems, environmental science, geology, chemistry, polymers, soft materials GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 0.05-1.2 eV Frequency range 650 - 10,000 cm-1 Interferometer resolution Up to 0.125 cm-1 Endstations Nicolet Magna 760 FTIR, Nic-Plan IR Microscope (N2 purged) Characteristics Motorized sample stage, 0.1-micron resolution,

  7. Beamline 1.4.3

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

    Beamline 1.4.3 Print FTIR spectromicroscopy Scientific disciplines: Biology, correlated electron systems, environmental science, geology, chemistry, polymers, soft materials GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 0.05-1.2 eV Frequency range 650 - 10,000 cm-1 Interferometer resolution Up to 0.125 cm-1 Endstations Nicolet Magna 760 FTIR, Nic-Plan IR Microscope (N2 purged) Characteristics Motorized sample stage, 0.1-micron resolution,

  8. Beamline 1.4.3

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

    Beamline 1.4.3 Print FTIR spectromicroscopy Scientific disciplines: Biology, correlated electron systems, environmental science, geology, chemistry, polymers, soft materials GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 0.05-1.2 eV Frequency range 650 - 10,000 cm-1 Interferometer resolution Up to 0.125 cm-1 Endstations Nicolet Magna 760 FTIR, Nic-Plan IR Microscope (N2 purged) Characteristics Motorized sample stage, 0.1-micron resolution,

  9. Beamline 5.0.3

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

    0.3 Print Berkeley Center for Structural Biology (BCSB) Monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes ...

  10. Beamline 5.0.3

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

    0.3 Print Berkeley Center for Structural Biology (BCSB) Monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes...

  11. Dynamic compression of dense oxide (Gd3Ga5O12) from 0.4 to 2.6 TPa: Universal Hugoniot of fluid metals

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

    Ozaki, N.; Nellis, W. J.; Mashimo, T.; Ramzan, M.; Ahuja, R.; Kaewmaraya, T.; Kimura, T.; Knudson, M.; Miyanishi, K.; Sakawa, Y.; et al

    2016-05-19

    Materials at high pressures and temperatures are of great current interest for warm dense matter physics, planetary sciences, and inertial fusion energy research. Shock-compression equation-of-state data and optical reflectivities of the fluid dense oxide, Gd3Ga5O12 (GGG), were measured at extremely high pressures up to 2.6 TPa (26 Mbar) generated by high-power laser irradiation and magnetically-driven hypervelocity impacts. Above 0.75 TPa, the GGG Hugoniot data approach/reach a universal linear line of fluid metals, and the optical reflectivity most likely reaches a constant value indicating that GGG undergoes a crossover from fluid semiconductor to poor metal with minimum metallic conductivity (MMC). Thesemore » results suggest that most fluid compounds, e.g., strong planetary oxides, reach a common state on the universal Hugoniot of fluid metals (UHFM) with MMC at sufficiently extreme pressures and temperatures. Lastly, the systematic behaviors of warm dense fluid would be useful benchmarks for developing theoretical equation-of-state and transport models in the warm dense matter regime in determining computational predictions.« less

  12. Buildings Energy Data Book: 5.4 Water Heaters

    Buildings Energy Data Book [EERE]

    2 Water Heater Stock for Residential Buildings, By Storage Type Small (30 gallons or less) 17.1 17% 1.4 14% 18.5 17% Medium (31 to 49 gallons) 52.4 53% 2.4 24% 54.8 50% Large (50 gallons or more) 27.1 27% 2.8 27% 29.9 27% Tankless water heater 1.1 1% 0.2 2% 1.3 1% No Separate Water Heater 1.9 2% 3.4 33% 5.3 5% Total (1) 99.6 100% 10.2 100% 109.8 100% Note(s): Souce(s): Number and Percent of Households in 2005 Used by One Unit Used by Multiple Units Total According to RECS, 1.1 million households

  13. SSQ V3 N3_Final_4oct13.indd

    National Nuclear Security Administration (NNSA)

    3 * October 2013 Message from the Acting Assistant Deputy Administrator for Research, Development, Test Capabilities, and Evaluation, Roger A. Lewis Defense Programs Stockpile Stewardship in Action Volume 3, Number 3 Inside this Issue 2 The Z Astrophysical Plasma Properties Collaboration 4 Science Using Guns at a Million Times Atmospheric Pressure: Megabar Science 5 Outstanding Poster Awards 6 Spotlight on the Offi ce of Test Capabilities and Evaluation 8 Five Students Selected for the

  14. 4-fluoroalkyl-3-halophenyl nortropanes

    DOE Patents [OSTI]

    Goodman, Mark M.; Chen, Ping

    2002-06-04

    A series of compounds in the 4-fluoroalkyl-3-halophenyl nortropanes family are described as diagnostic and therapeutic agents for diseases associated with serotonin transporter dysfunction. These compounds bind to serotonin transporter protein with high affinity and selectivity. The invention provides methods of synthesis which incorporate radioisotopic halogens at a last step which permit high radiochemical yield and maximum usable product life. The radiolabeled compounds of the invention are useful as imaging agents for visualizing the location and density of serotonin transporter by PET and SPECT imaging.

  15. Buildings Energy Data Book: 3.4 Commercial Environmental Emissions

    Buildings Energy Data Book [EERE]

    4 2025 Commercial Buildings Energy End-Use Carbon Dioxide Emissions Splits, by Fuel Type (Million Metric Tons) (1) Natural Petroleum Gas Distil. Resid. LPG Oth(2) Total Coal Electricity (3) Total Percent Lighting 171.2 171.2 16.1% Space Heating 89.4 7.7 6.3 0.4 14.3 5.5 25.7 135.0 12.7% Ventilation 94.4 94.4 8.9% Space Cooling 1.8 81.5 83.3 7.8% Electronics 63.8 63.8 6.0% Refrigeration 53.7 53.7 5.1% Computers 31.2 31.2 2.9% Water Heating 27.5 2.3 2.3 14.0 43.7 4.1% Cooking 11.0 3.5 14.5 1.4%

  16. Buildings Energy Data Book: 3.4 Commercial Environmental Emissions

    Buildings Energy Data Book [EERE]

    2 2010 Commercial Buildings Energy End-Use Carbon Dioxide Emissions Splits, by Fuel Type (Million Metric Tons) (1) Natural Petroleum Gas Distil. Resid. LPG Oth(2) Total Coal Electricity (3) Total Percent Lighting 211.9 211.9 20.4% Space Heating 87.4 10.2 6.7 0.3 17.3 5.6 50.5 160.7 15.5% Space Cooling 2.3 149.1 151.3 14.6% Ventilation 95.2 95.2 9.2% Refrigeration 69.1 69.1 6.7% Electronics 46.4 46.4 4.5% Water Heating 23.2 2.0 2.0 16.2 41.4 4.0% Computers 37.7 37.7 3.6% Cooking 9.5 4.1 13.6 1.3%

  17. INTERIM REPORT--INDEPENDENT VERIFICATION SURVEY OF SECTION 3, SURVEY UNITS 1, 4 AND 5 EXCAVATED SURFACES, WHITTAKER CORPORATION, REYNOLDS INDUSTRIAL PARK, TRANSFER, PENNSYLVANIA DCN: 5002-SR-04-0"

    SciTech Connect (OSTI)

    ADAMS, WADE C

    2013-04-18

    At Pennsylvania Department of Environmental Protection's request, ORAU's IEAV program conducted verification surveys on the excavated surfaces of Section 3, SUs 1, 4, and 5 at the Whittaker site on March 13 and 14, 2013. The survey activities included visual inspections, gamma radiation surface scans, gamma activity measurements, and soil sampling activities. Verification activities also included the review and assessment of the licensee's project documentation and methodologies. Surface scans identified four areas of elevated direct gamma radiation distinguishable from background; one area within SUs 1 and 4 and two areas within SU5. One area within SU5 was remediated by removing a golf ball size piece of slag while ORAU staff was onsite. With the exception of the golf ball size piece of slag within SU5, a review of the ESL Section 3 EXS data packages for SUs 1, 4, and 5 indicated that these locations of elevated gamma radiation were also identified by the ESL gamma scans and that ESL personnel performed additional investigations and soil sampling within these areas. The investigative results indicated that the areas met the release criteria.

  18. Buildings Energy Data Book: 3.4 Commercial Environmental Emissions

    Buildings Energy Data Book [EERE]

    5 2035 Commercial Buildings Energy End-Use Carbon Dioxide Emissions Splits, by Fuel Type (Million Metric Tons) (1) Natural Petroleum Gas Distil. Resid. LPG Oth(2) Total Coal Electricity (3) Total Percent Lighting 179.6 179.6 15.5% Space Heating 87.3 6.7 6.6 0.4 13.7 5.5 25.5 132.0 11.4% Ventilation 100.7 100.7 8.7% Space Cooling 1.7 84.1 85.8 7.4% Electronics 72.3 72.3 6.2% Refrigeration 55.6 55.6 4.8% Water Heating 28.8 2.5 2.5 13.3 44.7 3.9% Computers 33.6 33.6 2.9% Cooking 11.9 3.4 15.2 1.3%

  19. Na{sub 23}K{sub 9}Tl{sub 15.3}: An unusual Zintl compound containing apparent Tl{sub 5}{sup 7{minus}}, Tl{sub 4}{sup 8{minus}}, Tl{sub 3}{sup 7{minus}}, and Tl{sup 5{minus}} anions

    SciTech Connect (OSTI)

    Zhen-Chao Dong; Corbett, J.D.

    1996-05-22

    Reaction of the neat elements in tantalum containers at 400 {degrees}C and then 150 {degrees}C gives the pure title phase. X-ray crystallography shows that the hexagonal structure (P6{sub 3}/mmc, Z = 2, a = 11.235(1) {Angstrom}, b = 30.133(5) {Angstrom}) contains relatively high symmetry clusters Tl{sub 5}{sup 7{minus}} (D{sub 3h}), Tl{sub 4}{sup 8{minus}} (C{sub 3v}, {approx} T{sub d}), and the new Tl{sub 3}{sup 7{minus}} (D{sub {infinity}h}) plus Tl{sup 5{minus}}, the last two disordered over the same elongated site in 1:2 proportions. Cation solvation of these anions is tight and specific, providing good Coulombic trapping of weakly bound electrons on the isolated cluster anions. The observed disorder makes the compound structurally a Zintl phase with a closed shell electron count. EHMO calculations on the novel Tl{sub 3}{sup 7{minus}} reveal some bonding similarities with the isoelectronic CO{sub 2}, with two good {sigma}(s,p) bonding and two weakly bonding {pi} MO`s. The Tl-Tl bond lengths therein (3.14 {Angstrom}) are evidently consistent with multiple bonding. The weak temperature-independent paramagnetism and metallic conductivity (p{sub 293} {approx} 90 {mu}{Omega}{center_dot}cm) of the phase are discussed.

  20. SCDAP/RELAP5/MOD 3.1 code manual: MATPRO, A library of materials properties for Light-Water-Reactor accident analysis. Volume 4

    SciTech Connect (OSTI)

    Hagrman, D.T.; Allison, C.M.; Berna, G.A.

    1995-06-01

    The SCDAP/RELAP5 code has been developed for best estimate transient simulation of light -- water-reactor coolant systems during a severe accident. The code models the coupled behavior of the reactor coolant system, the core, fission products released during a severe accident transient as well as large and small break loss of coolant accidents, operational transients such as anticipated transient without SCRAM, loss of offsite power, loss of feedwater, and loss of flow. A generic modeling approach is used that permits as much of a particular system to be modeled as necessary. Control system and secondary system components are included to permit modeling of plant controls, turbines, condensers, and secondary feedwater conditioning systems. This volume, Volume IV, describes the material properties correlations and computer subroutines (MATPRO) used by SCDAP/RELAP5. formulation of the materials properties are generally semi-empirical in nature. The materials property subroutines contained in this document are for uranium, uranium dioxide, mixed uranium-plutonium dioxide fuel, zircaloy cladding, zirconium dioxide, stainless steel, stainless steel oxide, silver-indium-cadmium alloy, cadmium, boron carbide, Inconel 718, zirconium-uranium-oxygen melts, fill gas mixtures, carbon steel, and tungsten. This document also contains descriptions of the reaction and solution rate models needed to analyze a reactor accident.

  1. Eu3Ir2In15: A mixed-valent and vacancy-filled variant of the Sc5Co4Si10 structure type with anomalous magnetic properties

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

    Sarkar, Sumanta; Jana, Rajkumar; Siva, Ramesh; Banerjee, Swastika; Pati, Swapan K.; Balasubramanian, Mahalingam; Peter, Sebastian C.

    2015-10-27

    Here, a new compound, Eu3Ir2In15 has been synthesized using indium as an active metal flux. The compound crystallizes in tetragonal P4/mbm space group with lattice parameters, a = 14.8580(4) Å, b = 14.8580(4) Å, c = 4.3901(2) Å. It was further characterized by SEM-EDX studies. The temperature dependent magnetic susceptibility suggests that Eu in this compound is exclusively in divalent state. The effective magnetic moment (μeff) of this compound is 7.35 μB/Eu ion with paramagnetic Curie temperature (θp) of -28 K suggesting antiferromagnetic interaction. The mixed valent nature of Eu observed in magnetic measurements was confirmed by XANES measurements. Themore » compound undergoes demagnetization at a low magnetic field (10 Oe), which is quite unusual for Eu based intermetallic compounds. Temperature dependent resistivity studies reveal that the compound is metallic in nature. A comparative study was made between Eu3Ir2In15 and hypothetical vacancy variant Eu5Ir4In10 which also crystallizes in the same crystal structure However our computational studies along with control experiments suggest that the latter is thermodynamically less feasible compared to the former and hence we proposed that it is highly unlikely that a RE5T4X10 would exist with X as a group 13 elements.« less

  2. The unusual stability of TATB (1,3,5-triamino-2,4,6-trinitrobenzene): A review of the scientific literature

    SciTech Connect (OSTI)

    Rice, S.F.; Simpson, R.L.

    1990-07-04

    This review is intended as an up-to-date review of the scientific literature on TATB since its discovery as a high explosive. In particular, it focuses on clarifying our current understanding of the relationship between the structure of TATB and its unique thermal stability. We review a large number of different publications by many authors. A small portion of the work on TATB'' presented actually consists of experimental studies on TATB formulated as PBX-9502 or as LX-17. Where relevant, this distinction is indicated. However, inasmuch as this review focuses on thermal response and the relationship of chemical reactivity to the molecular and lattice structure of TATB as a pure material, results from these other formulations may not be directly applicable, and in general we have omitted them. 4 refs.

  3. Beamline 1.4.3

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

    for 4.2-730 K Scientific disciplines Biology, correlated electron systems, environmental science, geology, chemistry, polymers, soft materials Scientific applications Biological...

  4. Buildings Energy Data Book: 3.4 Commercial Environmental Emissions

    Buildings Energy Data Book [EERE]

    1 Carbon Dioxide Emissions for U.S. Commercial Buildings, by Year (Million Metric Tons) (1) Commercial U.S. Site Growth Rate Growth Rate Com.% Com.% Fossil Electricity Total 2010-Year Total 2010-Year of Total U.S. of Total Global 1980 245 409 653 4,723 14% 3.5% 1981 226 427 653 4,601 14% 3.6% 1982 226 426 653 4,357 15% 3.6% 1983 226 434 659 4,332 15% 3.6% 1984 236 455 691 4,561 15% 3.6% 1985 217 477 695 4,559 15% 3.6% 1986 216 481 698 4,564 15% 3.5% 1987 220 503 723 4,714 15% 3.5% 1988 230 531

  5. Beamline 1.4.3

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

    3 Print FTIR spectromicroscopy Scientific disciplines: Biology, correlated electron systems, environmental science, geology, chemistry, polymers, soft materials GENERAL BEAMLINE...

  6. RSE Table 5.4 Relative Standard Errors for Table 5.4

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

    4 Relative Standard Errors for Table 5.4;" " Unit: Percents." " "," ",," ","Distillate"," "," " " "," ","Net Demand",,"Fuel Oil",,,"Coal" "NAICS"," ","for ","Residual","and","Natural ","LPG and","(excluding Coal" "Code(a)","End Use","Electricity(b)","Fuel

  7. Buildings Energy Data Book: 3.4 Commercial Environmental Emissions

    Buildings Energy Data Book [EERE]

    3 2015 Commercial Buildings Energy End-Use Carbon Dioxide Emissions Splits, by Fuel Type (Million Metric Tons) (1) Natural Petroleum Gas Distil. Resid. LPG Oth(2) Total Coal Electricity (3) Total Percent Lighting 160.0 160.0 16.6% Space Heating 89.9 9.0 6.2 0.3 15.5 5.5 26.4 137.3 14.2% Space Cooling 1.9 80.0 81.9 8.5% Ventilation 85.0 85.0 8.8% Refrigeration 55.8 55.8 5.8% Electronics 49.9 49.9 5.2% Water Heating 25.5 2.0 2.0 14.3 41.8 4.3% Computers 30.0 30.0 3.1% Cooking 10.2 3.6 13.8 1.4%

  8. CCM3 to MM5 Data Conversion

    Energy Science and Technology Software Center (OSTI)

    2007-03-02

    The accompanying script (which uses the NCAR Command Language) ready output from the Community Climate Model Code, version 3 (CCM3) and converts it to input format for the Mesoscale Model, version 5 (MM5) code. The script utilizes a Fortran binary write routine.

  9. Beamline 5.3.2.2

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

    Beamline 5.3.2.2 Beamline 5.3.2.2 Print Tuesday, 20 October 2009 08:37 Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active

  10. Beamline 5.3.2.2

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

    Beamline 5.3.2.2 Beamline 5.3.2.2 Print Tuesday, 20 October 2009 08:37 Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active

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

    SciTech Connect (OSTI)

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

    2014-10-20

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

  12. QCD for Postgraduates (4/5)

    ScienceCinema (OSTI)

    None

    2011-10-06

    Modern QCD - Lecture 4 We will consider some processes of interest at the LHC and will discuss the main elements of their cross-section calculations. We will also summarize the current status of higher order calculations.

  13. tablehc4.3.xls

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

    Income Relative to Poverty Line Below 100 Percent......0.3 1.0 1.6 Q 1. Below 150 percent of poverty line or 60 percent of median State ...

  14. Data:C4e362d6-e3b5-43b0-aa5b-f1271f576b1e | Open Energy Information

    Open Energy Info (EERE)

    b0-aa5b-f1271f576b1e No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic...

  15. Synthesis, structure and magnetic properties of a new iron phosphonate-oxalate with 3D framework: [Fe(O{sub 3}PCH{sub 3})(C{sub 2}O{sub 4}){sub 0.5}(H{sub 2}O)

    SciTech Connect (OSTI)

    Zhang Yangyang [Applied Catalysis Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Qi Yue [Applied Catalysis Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Zhang Ying [Applied Catalysis Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Liu Ziyu [Applied Catalysis Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Zhao Yinfeng [Applied Catalysis Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Liu Zhongmin [Applied Catalysis Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)]. E-mail: liuzm@dicp.ac.cn

    2007-08-07

    A new iron phosphonate-oxalate [Fe(O{sub 3}PCH{sub 3})(C{sub 2}O{sub 4}){sub 0.5}(H{sub 2}O)] (1), has been synthesized under hydrothermal condition. The single-crystal X-ray diffraction studies reveal that 1 consists of layers of vertex-linked FeO{sub 6} octahedra and O{sub 3}PC tetrahedra, which are further connected by bis-chelate oxalate bridges, giving to a 3D structure with 10-membered channels. Crystal data: monoclinic, P2{sub 1}/n (no. 14), a=4.851(2)A, b=16.803(7)A, c=7.941(4)A, {beta}=107.516(6){sup o}, V=617.2(5)A{sup 3}, Z=4, R{sub 1}=0.0337 and wR{sub 2}=0.0874 for 1251 reflections [I>2{sigma}(I)]. Mossbauer spectroscopy measurement confirms the existence of high-spin Fe(III) in 1. Magnetic studies show that 1 exhibits weak ferromagnetism with T{sub N}=30K due to a weak spin canting.

  16. Absolute Frequency Measurement of the {sup 40}Ca{sup +} 4s {sup 2}S{sub 1/2}-3d {sup 2}D{sub 5/2} Clock Transition

    SciTech Connect (OSTI)

    Chwalla, M.; Kim, K.; Monz, T.; Riebe, M.; Schindler, P.; Villar, A. S.; Haensel, W.; Benhelm, J.; Kirchmair, G.; Roos, C. F.; Blatt, R.; Abgrall, M.; Santarelli, G.; Rovera, G. D.; Laurent, Ph.

    2009-01-16

    We report on the first absolute transition frequency measurement at the 10{sup -15} level with a single, laser-cooled {sup 40}Ca{sup +} ion in a linear Paul trap. For this measurement, a frequency comb is referenced to the transportable Cs atomic fountain clock of LNE-SYRTE and is used to measure the {sup 40}Ca{sup +} 4s {sup 2}S{sub 1/2}-3d {sup 2}D{sub 5/2} electric-quadrupole transition frequency. After the correction of systematic shifts, the clock transition frequency {nu}{sub Ca{sup +}}=411 042 129 776 393.2(1.0) Hz is obtained, which corresponds to a fractional uncertainty within a factor of 3 of the Cs standard. In addition, we determine the Landeg factor of the 3d{sup 2}D{sub 5/2} level to be g{sub 5/2}=1.200 334 0(3)

  17. Beamline 1.4.3

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

    3 Print FTIR spectromicroscopy Scientific disciplines: Biology, correlated electron systems, environmental science, geology, chemistry, polymers, soft materials GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 0.05-1.2 eV Frequency range 650 - 10,000 cm-1 Interferometer resolution Up to 0.125 cm-1 Endstations Nicolet Magna 760 FTIR, Nic-Plan IR Microscope (N2 purged) Characteristics Motorized sample stage, 0.1-micron resolution, reflection,

  18. Beamline 5.3.2.2

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

    3.2.2 Beamline 5.3.2.2 Print Tuesday, 20 October 2009 08:37 Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized

  19. NUG Meeting June 3-5, 2002

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

    NUG Meeting June 3-5, 2002 Dates June 3-5, 2002 Location NERSC's Oakland Scientific Facility 415 20th St. Oakland CA, 94612 Presentations Agenda June 3, 2002, NUG Business Meeting - Agenda The NUG Business Meeting will take place at Berkeley Lab, in Perseverance Hall (Building 54, Room130), which is the conference room annexed to the Lab's cafeteria. 8:00 pastries, fruit, juice, coffee, tea 8:15 Welcome and meeting logistics 8:30 NERSC Update - Implementation of the 5 Year Strategic Proposal -

  20. X-Ray diffraction and vibrational spectroscopic study of 2-chloro-N-{l_brace}4-[3-(2,5-dimethylphenyl)-3-methylcyclobutyl] -thiazol-2-yl{r_brace}-acetamide

    SciTech Connect (OSTI)

    Caliskan, Nezihe Guentepe, Feyizan; Yueksektepe, Cigdem; Cukurovali, Alaaddin; Bueyuekguengoer, Orhan

    2010-12-15

    The title compound C{sub 18}H{sub 21}ClN{sub 2}SO crystallizes with Z = 4 in space group P2{sub 1}/c. The structure of the title compound was characterized by {sup 1}H-NMR, {sup 13}C-NMR, IR and single crystal diffraction. There are an intermolecular N-H-O hydrogen bond and a C-H-{pi} interactions in crystal packing. In addition to the molecular geometry and packing obtained from X-ray experiment, the molecular geometry and vibrational frequencies of the title compound in ground state have been calculated using density functional theory method DFT (B3LYP) with 6-31G (d, p) basis set. Calculated frequencies, bond lengths, angles and dihedral angles are in good agreement with the corresponding experimental data.

  1. Microsoft Word - MP 5 2 Final Rev 3

    Office of Environmental Management (EM)

    Form 4.1-1 U. S. Department of Energy Carlsbad Field Office MANAGEMENT PROCEDURE CBFO MP 5.2, Rev. 3 Effective: 15 November 2010 SUBJECT: TRU WASTE SITE CERTIFICATION...

  2. Synthesis, characterization, crystal structure, and thermal analysis of 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl) acetamide

    SciTech Connect (OSTI)

    Sharma, R.; Nayak, P. S.; Narayana, B.; Kant, R.

    2015-12-15

    The title compound, C{sub 13}H{sub 14}O{sub 2}N{sub 3}Cl, has been synthesized by the reaction of chloroacetyl chloride with 4-aminoantipyrine in basic media and characterized by FT-IR, CHN elemental analysis, UV-Vis, TGA, DTA, DSC and single crystal X-ray diffraction. crystals are monoclinic, sp. gr. P2{sub 1}/c, a = 6.9994(6), b = 12.4035(13), c = 15.836(2) Å, β = 100.367(9)°, Z = 4. The crystal structure is stabilized by N–H···O and C–H···O interactions, the former interactions result in the formation of dimers corresponding to R{sub 2}{sup 2} (10) graphset motif and the dimers are further connected by C–H···O hydrogen bonding forming chains. In addition, the thermal stability of the compound was determined by TGA, DTA, DSC analysis, and absorption at λ{sub max} = 298 nm was determined by UV-Vis spectrophotometer.

  3. EVMS Training Snippet: 5.4 PARSII Analysis: Variance Reports...

    Office of Environmental Management (EM)

    4 PARSII Analysis: Variance Reports EVMS Training Snippet: 5.4 PARSII Analysis: Variance Reports This EVMS Training Snippet, sponsored by the Office of Project Management (PM) is ...

  4. Completion Report for Well Cluster ER-5-4

    SciTech Connect (OSTI)

    U.S. Department of Energy, National Nuclear Security Administration, Nevada Site Office; Bechtel Nevada

    2005-02-01

    Well Cluster ER-5-4 was drilled for the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office, in support of the Nevada Environmental Restoration Project at the Nevada Test Site, Nye County, Nevada. The cluster consists of two wells, positioned about 30 meters apart on the same drill pad, constructed as part of a hydrogeologic investigation program for Frenchman Flat at the Nevada Test Site. Detailed lithologic descriptions with preliminary stratigraphic assignments for the well cluster are included in this report. These are based on composite drill cuttings collected every 3 meters, and 156 sidewall samples taken at various depths below 192 meters in both boreholes, supplemented by geophysical log data. Detailed petrographic, chemical, and mineralogical studies of rock samples were conducted on 122 samples. Well ER-5-4 penetrated approximately 1,120 meters of Quaternary and Tertiary alluvium before reaching total depth in Tertiary volcanic rocks at 1,137.5 meters. The deeper Well ER-5-4 No.2 penetrated 1,120.4 meters of alluvial sediments, and was terminated within Tertiary volcanic rocks at a depth of 2,133.6 meters, indicating that Paleozoic rocks are deeper than expected at this site.

  5. 2.3-MW Medium-Voltage, Three-Level Wind Energy Inverter Applying a Unique Bus Structure and 4.5-kV Si/SiC Hybrid Isolated Power Modules: Preprint

    SciTech Connect (OSTI)

    Erdman, W.; Keller, J.; Grider, D.; VanBrunt, E.

    2014-11-01

    A high-efficiency, 2.3-MW, medium-voltage, three-level inverter utilizing 4.5-kV Si/SiC (silicon carbide) hybrid modules for wind energy applications is discussed. The inverter addresses recent trends in siting the inverter within the base of multimegawatt turbine towers. A simplified split, three-layer laminated bus structure that maintains low parasitic inductances is introduced along with a low-voltage, high-current test method for determining these inductances. Feed-thru bushings, edge fill methods, and other design features of the laminated bus structure provide voltage isolation that is consistent with the 10.4-kV module isolation levels. Inverter efficiency improvement is a result of the (essential) elimination of the reverse recovery charge present in 4.5-kV Si PIN diodes, which can produce a significant reduction in diode turn-off losses as well as insulated-gate bipolar transistor (IGBT) turn-on losses. The hybrid modules are supplied in industry-standard 140 mm x 130 mm and 190 mm x 130 mm packages to demonstrate direct module substitution into existing inverter designs. A focus on laminated bus/capacitor-bank/module subassembly level switching performance is presented.

  6. AMO Weekly Announcements 5/4

    Broader source: Energy.gov [DOE]

    Energy Department Announces New Funding for National Labs to Partner with Industry to Strengthen Clean Energy Manufacturing Competitiveness Assistant Secretary for Energy Efficiency and Renewable Energy Dr. David Danielson today announced the second round of funding for the Energy Department’s Technologist in Residence (TIR) program. At its core, the new program aims to strengthen lab- industry relationships to support industry needs and leverage the national lab network for strategic, long-term, collaborative R&D. Up to $2.3 million will support the Energy Department’s national laboratories in teaming up with manufacturing companies to tackle technical challenges of interest to the participating company or consortium.

  7. IDIQ BS Ex A (Rev. 3.5, 3/6/15) Exhibit A General Conditions

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

    5, 3/6/15) Exhibit A General Conditions Page 1 of 20 EXHIBIT "A" GENERAL CONDITIONS TABLE OF CONTENTS GC Title Page GC-1 DEFINITIONS (Aug 2012) ......................................................................................................... 3 GC-2A AUTHORIZED REPRESENTATIVES, COMMUNICATIONS AND NOTICES (Jan 2010) ....... 3 GC-3 INDEPENDENT CONTRACTOR (Jun 2009) ............................................................................ 4 GC-4 SUBCONTRACT INTERPRETATION (Jun

  8. Pressure-enhanced superconductivity in Eu 3 Bi 2 S 4 F 4 (Journal...

    Office of Scientific and Technical Information (OSTI)

    The pressure effect on the newly discovered charge-transferred BiS2-based superconductor, Eu3Bi2S4F4, with a Tc of 1.5 K at ambient pressure, is investigated by transport and ...

  9. Fine tunable red-green upconversion luminescence from glass ceramic containing 5%Er{sup 3+}:NaYF{sub 4} nanocrystals under excitation of two near infrared femtosecond lasers

    SciTech Connect (OSTI)

    Shang, Xiaoying; Cheng, Wenjing; Zhou, Kan; Ma, Jing; Feng, Donghai; Zhang, Shian; Sun, Zhenrong; Jia, Tianqing; Chen, Ping; Qiu, Jianrong

    2014-08-14

    In this paper, we report fine tunable red-green upconversion luminescence of glass ceramic containing 5%Er{sup 3+}: NaYF{sub 4} nanocrystals excited simultaneously by two near infrared femtosecond lasers. When the glass ceramic was irradiated by 800 nm femtosecond laser, weak red emission centered at 670 nm was detected. Bright red light was observed when the fs laser wavelength was tuned to 1490 nm. However, when excited by the two fs lasers simultaneously, the sample emitted bright green light centered at 550 nm, while the red light kept the same intensity. The dependences of the red and the green light intensities on the two pump lasers are much different, which enables us to manipulate the color emission by adjusting the two pump laser intensities, respectively. We present a theoretical model of Er{sup 3+} ions interacting with two fs laser fields, and explain well the experimental results.

  10. Beamline 5.3.2.1

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

    5.3.2.1 Beamline 5.3.2.1 Print Thursday, 26 February 2015 12:20 Scanning Transmission X-Ray Microscopy (STXM) GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 600-2000eV eV Monochromator Low-dispersion, spherical-grating monochromator, two gratings Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal

  11. Beamline 5.3.2.2

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

    5.3.2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25

  12. Beamline 5.3.2.2

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

    5.3.2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25

  13. Beamline 5.3.2.2

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

    Beamline 5.3.2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample

  14. Beamline 5.3.2.2

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

    Beamline 5.3.2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample

  15. Beamline 5.3.2.2

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

    Beamline 5.3.2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample

  16. Beamline 5.3.2.2

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

    Beamline 5.3.2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample

  17. " East North Central",16.1,16.4,18.4,19.5,22.2,23.6

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

    More Persons",21.4,23.3,25.9,23.1,28.6,33.2 "Household Composition" " Households With Children","NA","NA",22.5,22.8,24.8,29.2 " Age of Oldest Child" " Under 7 Years","NA","NA",20.6...

  18. High temperature redox reactions with uranium: Synthesis and characterization of Cs(UO{sub 2})Cl(SeO{sub 3}), Rb{sub 2}(UO{sub 2}){sub 3}O{sub 2}(SeO{sub 3}){sub 2}, and RbNa{sub 5}U{sub 2}(SO{sub 4}){sub 7}

    SciTech Connect (OSTI)

    Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.

    2013-10-15

    Cs(UO{sub 2})Cl(SeO{sub 3}) (1), Rb{sub 2}(UO{sub 2}){sub 3}O{sub 2}(SeO{sub 3}){sub 3} (2), and RbNa{sub 5}U{sub 2}(SO{sub 4}){sub 7} (3) single crystals were synthesized using CsCl, RbCl, and a CuCl/NaCl eutectic mixture as fluxes, respectively. Their lattice parameters and space groups are as follows: P2{sub 1}/n (a=6.548(1) Å, b=11.052(2) Å, c=10.666(2) Å and β=93.897(3)°), P1{sup ¯} (a=7.051(2) Å, b=7.198(2) Å, c=8.314(2) Å, α=107.897(3)°, β=102.687(3)° and γ=100.564(3)°) and C2/c (a=17.862(4) Å, b=6.931(1) Å, c=20.133(4) Å and β=109.737(6)°. The small anionic building units found in these compounds are SeO{sub 3}{sup 2−} and SO{sub 4}{sup 2−} tetrahedra, oxide, and chloride. The crystal structure of the first compound is composed of [(UO{sub 2}){sub 2}Cl{sub 2}(SeO{sub 3}){sub 2}]{sup 2−} chains separated by Cs{sup +} cations. The structure of (2) is constructed from [(UO{sub 2}){sub 3}O{sub 11}]{sup 16−} chains further connected through selenite units into layers stacked perpendicularly to the [0 1 0] direction, with Rb{sup +} cations intercalating between them. The structure of compound (3) is made of uranyl sulfate layers formed by edge and vertex connections between dimeric [U{sub 2}O{sub 16}] and [SO{sub 4}] polyhedra. These layers contain unusual sulfate–metal connectivity as well as large voids. - Graphical abstract: A new family of uranyl selenites and sulfates has been prepared by high-temperature redox reactions. This compounds display new bonding motifs. Display Omitted - Highlights: • Low-dimensional Uranyl Oxoanion compounds. • Conversion of U(IV) to U(VI) at high temperatures. • Dimensional reduction by both halides and stereochemically active lone-pairs.

  19. Buildings Energy Data Book: 5.4 Water Heaters

    Buildings Energy Data Book [EERE]

    5 Water Heater Efficiencies 2005 2010 Efficiency Stock Minimum Best-Available Residential Type Parameter (1) Efficiency New Efficiency New Efficiency Electric Storage EF 0.90 0.90 (2) 0.95 (2) Electric Instantaneous EF 0.82 0.82 0.98 Electric Heat Pump EF 2.00 2.00 2.35 Gas-Fired Storage EF 0.60 0.59 (3) 0.85 (3) Gas-Fired Instantaneous EF 0.82 0.82 0.98 Oil-Fired Storage EF 0.50 0.53 (4) 0.68 (4) Solar SEF 2.50 N.A. 2.50 2007 2010 Efficiency Stock Minimum Best-Available Commercial Type

  20. Beamline 5.3.2.2

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

    3.2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25 nm

  1. Best management practices and work plan for installation of and monitoring at temporary weirs and flumes at NT-3, NT-4, and NT-5 Oak Ridge Y-12 Plant, Oak Ridge, Tennessee

    SciTech Connect (OSTI)

    1998-02-01

    This Best Management Practices (BMP) and Work Plan has been developed in order to maintain compliance with applicable regulatory requirements by documenting the practices that are required during the installation and maintenance of temporary weirs and flumes at the NT-3, NT-4, and NT-5 tributaries, subsequent collection of water discharge data, and removal of the weirs and flumes. The practices included in this BMP comply with the Clean Water Act and the intent of Sect. 70-8-104(b) of the Tennessee Code Annotated: Tennessee Wildlife Resources Commission Proclamation 94-16 to prevent the destruction of the habitat of state-listed wildlife species that are designated as {open_quotes}in need of management.{close_quotes}

  2. Restructuring of RELAP5-3D

    SciTech Connect (OSTI)

    George Mesina; Joshua Hykes

    2005-09-01

    The RELAP5-3D source code is unstructured with many interwoven logic flow paths. By restructuring the code, it becomes easier to read and understand, which reduces the time and money required for code development, debugging, and maintenance. A structured program is comprised of blocks of code with one entry and exit point and downward logic flow. IF tests and DO loops inherently create structured code, while GOTO statements are the main cause of unstructured code. FOR_STRUCT is a commercial software package that converts unstructured FORTRAN into structured programming; it was used to restructure individual subroutines. Primarily it transforms GOTO statements, ARITHMETIC IF statements, and COMPUTED GOTO statements into IF-ELSEIF-ELSE tests and DO loops. The complexity of RELAP5-3D complicated the task. First, FOR_STRUCT cannot completely restructure all the complex coding contained in RELAP5-3D. An iterative approach of multiple FOR_STRUCT applications gave some additional improvements. Second, FOR_STRUCT cannot restructure FORTRAN 90 coding, and RELAP5-3D is partially written in FORTRAN 90. Unix scripts for pre-processing subroutines into coding that FOR_STRUCT could handle and post-processing it back into FORTRAN 90 were written. Finally, FOR_STRUCT does not have the ability to restructure the RELAP5-3D code which contains pre-compiler directives. Variations of a file were processed with different pre-compiler options switched on or off, ensuring that every block of code was restructured. Then the variations were recombined to create a completely restructured source file. Unix scripts were written to perform these tasks, as well as to make some minor formatting improvements. In total, 447 files comprising some 180,000 lines of FORTRAN code were restructured. These showed significant reduction in the number of logic jumps contained as measured by reduction in the number of GOTO statements and line labels. The average number of GOTO statements per subroutine

  3. Beamline 5.3.2.1

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

    5.3.2.1 Print Scanning Transmission X-Ray Microscopy (STXM) GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 600-2000eV eV Monochromator Low-dispersion, spherical-grating monochromator, two gratings Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25-100 nm

  4. Beamline 5.3.2.1

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

    5.3.2.1 Print Scanning Transmission X-Ray Microscopy (STXM) GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 600-2000eV eV Monochromator Low-dispersion, spherical-grating monochromator, two gratings Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25-100 nm

  5. Beamline 5.3.2.1

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

    Beamline 5.3.2.1 Print Scanning Transmission X-Ray Microscopy (STXM) GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 600-2000eV eV Monochromator Low-dispersion, spherical-grating monochromator, two gratings Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25-100

  6. Beamline 5.3.2.1

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

    5.3.2.1 Print Scanning Transmission X-Ray Microscopy (STXM) GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 600-2000eV eV Monochromator Low-dispersion, spherical-grating monochromator, two gratings Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25-100 nm

  7. Beamline 5.3.2.1

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

    5.3.2.1 Print Scanning Transmission X-Ray Microscopy (STXM) GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 600-2000eV eV Monochromator Low-dispersion, spherical-grating monochromator, two gratings Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25-100 nm

  8. Beamline 5.3.2.2

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

    2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25 nm

  9. Beamline 5.3.2.2

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

    2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25 nm

  10. Beamline 5.3.2.2

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

    2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25 nm

  11. Beamline 5.3.2.2

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

    2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25 nm

  12. Beamline 5.3.2.1

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

    5.3.2.1 Print Scanning Transmission X-Ray Microscopy (STXM) GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 600-2000eV eV Monochromator Low-dispersion, spherical-grating monochromator, two gratings Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25-100 nm

  13. Beamline 5.3.2.2

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

    2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25 nm

  14. Beamline 5.3.2.2

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

    2.2 Print Polymer Scanning Transmission X-Ray Microscopy (STXM) @ 5.3.2.2 GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 250-780 eV Monochromator Low-dispersion, spherical-grating monochromator, one grating Calculated flux (1.9 GeV, 500 mA) 1 x 107 photons/s at sample Resolving power (E/ΔE) ≤ 5,000 Endstations Scanning transmission x-ray microscope (STXM) Characteristics Active servo-stabilized toroidal premirror Spot size at sample (FWHM) 25 nm

  15. Second order phase transition temperature of single crystals of Gd5Si1.3Ge2.7 and Gd5Si1.4Ge2.6

    SciTech Connect (OSTI)

    Hadimani, R. L.; Melikhov, Y.; Schlagel, D. L.; Lograsso, T. A.; Dennis, K. W.; McCallum, R. W.; Jiles, D. C.

    2015-01-30

    Gd5(SixGe1–x)4 has mixed phases in the composition range 0.32 < x < 0.41, which have not been widely studied. In this paper, we have synthesized and indexed single crystal samples of Gd5Si1.3Ge2.7 and Gd5Si1.4Ge2.6. In this study, we have investigated the first order and second order phase transition temperatures of these samples using magnetic moment vs. temperature and magnetic moment vs. magnetic field at different temperatures. We have used a modified Arrott plot technique that was developed and reported by us previously to determine the “hidden” second order phase transition temperature of the orthorhombic II phase.

  16. Building Green in Greensburg: 5.4.7 Arts Center

    Broader source: Energy.gov [DOE]

    This poster highlights energy efficiency, renewable energy, and sustainable features of the high-performing 5.4.7 Arts Center building in Greensburg, Kansas.

  17. Categorical Exclusion Determinations: B4.5 | Department of Energy

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

    B4.5: Temporary adjustments to river operations Temporary adjustments to river operations to accommodate day-to-day river fluctuations, power demand changes, fish and wildlife ...

  18. Discovery of 5-[[4-[(2,3-Dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a Novel and Potent Vascular Endothelial Growth Factor Receptor Inhibitor

    SciTech Connect (OSTI)

    Harris, Philip A.; Boloor, Amogh; Cheung, Mui; Kumar, Rakesh; Crosby, Renae M.; Davis-Ward, Ronda G.; Epperly, Andrea H.; Hinkle, Kevin W.; Hunter, III, Robert N.; Johnson, Jennifer H.; Knick, Victoria B.; Laudeman, Christopher P.; Luttrell, Deirdre K.; Mook, Robert A.; Nolte, Robert T.; Rudolph, Sharon K.; Szewczyk, Jerzy R.; Truesdale, Anne T.; Veal, James M.; Wang, Liping; Stafford, Jeffrey A.

    2009-05-18

    Inhibition of the vascular endothelial growth factor (VEGF) signaling pathway has emerged as one of the most promising new approaches for cancer therapy. We describe herein the key steps starting from an initial screening hit leading to the discovery of pazopanib, N{sup 4}-(2,3-dimethyl-2H-indazol-6-yl)-N{sup 4}-methyl-N{sup 2}-(4-methyl-3-sulfonamidophenyl)-2,4-pyrimidinediamine, a potent pan-VEGF receptor (VEGFR) inhibitor under clinical development for renal-cell cancer and other solid tumors.

  19. table3.4_02.xls

    Gasoline and Diesel Fuel Update (EIA)

    ... Notes: To obtain the RSE percentage for any table cell, multiply the cell's corresponding ... were Table 3.4 Number of Establishments by Fuel Consumption, 2002; Level: National Data; ...

  20. NMR Studies of the Vanadium Spin Dynamics and Spin Structure in LiV2O4, CaV2O4, and (LixV1-x)3BO5 (x is almost equal to 0.33, 0.40)

    SciTech Connect (OSTI)

    Xiaopeng Zong

    2007-12-01

    Strong electron correlation is believed to be an essential and unifying factor in diverse properties of condensed matter systems. Ground states that can arise due to electron correlation effects include Mott insulators, heavy fermion, ferromagnetism and antiferromagnetism, spin glasses, and high-temperature superconductivity. The electronic systems in transition metal oxide compounds are often highly correlated. In this thesis, the author presents experimental studies on three strongly correlated vanadium oxide compounds: LiV{sub 2}O{sub 4}, (Li{sub x}V{sub 1-x}){sub 3}BO{sub 5}, and CaV{sub 2}O{sub 4}, which have completely different ground states.

  1. Categorical Exclusion Determinations: B5.4 | Department of Energy

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

    4 Categorical Exclusion Determinations: B5.4 Existing Regulations B5.4: Repair or replacement of pipelines Repair, replacement, upgrading, rebuilding, or minor relocation of pipelines within existing rights-of-way, provided that the actions are in accordance with applicable requirements (such as Army Corps of Engineers permits under section 404 of the Clean Water Act). Pipelines may convey materials including, but not limited to, air, brine, carbon dioxide, geothermal system fluids, hydrogen

  2. RELAP5/MOD3 code manual

    SciTech Connect (OSTI)

    Sloan, S.M.; Schultz, R.R.; Wilson, G.E.

    1994-06-01

    Summaries of RELAP5/MOD3 code assessments, a listing of the assessment matrix, and a chronology of the various versions of the code are given. Results from these code assessments have been used to formulate a compilation of some of the strengths and weaknesses of the code. These results are documented in the report. Volume 7 was designed to be updated periodically and to include the results of the latest code assessments as they become available. Consequently, users of Volume 7 should ensure that the latest revision is available.

  3. EX/P5-4 Two-Fluid Hall Effect on Plasma Relaxation

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

    EXP5-4 Two-Fluid Hall Effect on Plasma Relaxation in a High-Temperature Plasma W.X. Ding 1,3), V. Mirnov 2,3), A. F. Almagri 2,3), D.L. Brower 1,3), D. Craig 2,3), B.H. Deng 1,3), ...

  4. Microsoft PowerPoint - 4_Gary_Wednesday 5-22 Transit Matching...

    National Nuclear Security Administration (NNSA)

    Matching Case Study Gary Hirsch, PSI Scenario 1 Australia 2 Scenario 1 Australia 3 Scenario 1 Australia 4 Scenario 2 Mexico 5 Scenario 2 Mexico 6 Scenario 2 Mexico 7 Scenario 3...

  5. FIGS-3&4.CHP:Corel VENTURA

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

    S3. Crude Oil Supply and Disposition, Figure S4. Crude Oil Ending Stocks, 1 0 2,500 5,000 7,500 10,000 12,500 15,000 17,500 0 2,500 5,000 7,500 10,000 12,500 15,000 17,500 Jul Aug...

  6. Performance Evaluation of a 4.5 kW (1.3 Refrigeration Tons) Air-Cooled Lithium Bromide/Water Solar Powered (Hot-Water-Fired) Absorption Unit

    SciTech Connect (OSTI)

    Zaltash, Abdolreza; Petrov, Andrei Y; Linkous, Randall Lee; Vineyard, Edward Allan

    2007-01-01

    During the summer months, air-conditioning (cooling) is the single largest use of electricity in both residential and commercial buildings with the major impact on peak electric demand. Improved air-conditioning technology has by far the greatest potential impact on the electric industry compared to any other technology that uses electricity. Thermally activated absorption air-conditioning (absorption chillers) can provide overall peak load reduction and electric grid relief for summer peak demand. This innovative absorption technology is based on integrated rotating heat exchangers to enhance heat and mass transfer resulting in a potential reduction of size, cost, and weight of the "next generation" absorption units. Rotartica Absorption Chiller (RAC) is a 4.5 kW (1.3 refrigeration tons or RT) air-cooled lithium bromide (LiBr)/water unit powered by hot water generated using the solar energy and/or waste heat. Typically LiBr/water absorption chillers are water-cooled units which use a cooling tower to reject heat. Cooling towers require a large amount of space, increase start-up and maintenance costs. However, RAC is an air-cooled absorption chiller (no cooling tower). The purpose of this evaluation is to verify RAC performance by comparing the Coefficient of Performance (COP or ratio of cooling capacity to energy input) and the cooling capacity results with those of the manufacturer. The performance of the RAC was tested at Oak Ridge National Laboratory (ORNL) in a controlled environment at various hot and chilled water flow rates, air handler flow rates, and ambient temperatures. Temperature probes, mass flow meters, rotational speed measuring device, pressure transducers, and a web camera mounted inside the unit were used to monitor the RAC via a web control-based data acquisition system using Automated Logic Controller (ALC). Results showed a COP and cooling capacity of approximately 0.58 and 3.7 kW respectively at 35 C (95 F) design condition for ambient

  7. Self-biased large magnetoelectric coupling in co-sintered Bi{sub 0.5}Na{sub 0.5}TiO{sub 3} based piezoelectric and CoFe{sub 2}O{sub 4} based magnetostrictive bilayered composite

    SciTech Connect (OSTI)

    Kumari, Mukesh; Singh, Amrita; Chatterjee, Ratnamala E-mail: ratnamalac@gmail.com; Gupta, Arti; Prakash, Chandra

    2014-12-28

    In this work, magnetoelectric properties of a co-sintered bilayered composite of non-lead based piezoelectric 0.97(Bi{sub 0.5}Na{sub 0.5}TiO{sub 3})–0.03(K{sub 0.47}Na{sub 0.47}Li{sub 0.06}Nb{sub 0.74}Sb{sub 0.06}Ta{sub 0.2}O{sub 3}) and magnetostrictive Co{sub 0.6}Zn{sub 0.4}Fe{sub 1.7}Mn{sub 0.3}O{sub 4} are presented. Similar optimal sintering conditions of the individual components lead to a very clean interface as evidenced in the scanning electron microscopy, angle dispersive X-ray diffraction, and energy-dispersive X-ray (EDX) results. Clean interface results in strong intimate mechanical coupling between both components and causes a maximum transfer of induced strain, leading to a large magnetoelectric coupling ∼142 mV/cm·Oe measured in longitudinally magnetized-transversely polarized configuration (L-T mode). Remnant polarization ∼32 μC/cm{sup 2}, remnant magnetization ∼0.50 emu/g, and sufficiently high self biased magnetoelectricity ∼135 mV/cm Oe (L-T mode) were observed for this composite.

  8. Thermoelectric properties of polycrystalline In4Se3 and In4Te3

    SciTech Connect (OSTI)

    Shi, Xun; Cho, Jung Y; Salvador, James R.; Yang, Jihui; Wang, Hsin

    2010-01-01

    High thermoelectric performance of a single crystal layered compound In{sub 4}Se{sub 3} was reported recently. We present here an electrical and thermal transport property study over a wide temperature range for polycrystalline samples of In{sub 4}Se{sub 3} and In{sub 4}Te{sub 3}. Our data demonstrate that these materials are lightly doped semiconductors, leading to large thermopower and resistivity. Very low thermal conductivity, below 1 W/m K, is observed. The power factors for In{sub 4}Se{sub 3} and In{sub 4}Te{sub 3} are much smaller when compared with state-of-the-art thermoelectric materials. This combined with the very low thermal conductivity results in the maximum ZT value of less than 0.6 at 700 K for In{sub 4}Se{sub 3}.

  9. Crystal structure of Tb5Ni2In4, and magnetic properties of Dy5Ni2In4...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Crystal structure of Tb5Ni2In4, and ... DOE Contract Number: DE-AC02-07CH11358 Resource Type: Journal Article Resource Relation: ...

  10. RSE Table 3.5 Relative Standard Errors for Table 3.5

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

    5 Relative Standard Errors for Table 3.5;" " Unit: Percents." " "," "," "," "," "," "," "," ","Waste",," " " "," "," ","Blast"," "," ","Pulping Liquor"," ","Oils/Tars" "NAICS"," ","