National Library of Energy BETA

Sample records for 6 4 2

  1. 4X6" Rotary Bayonet LN2 Test Fill

    SciTech Connect (OSTI)

    Fitzpatrick, J.B.; /Fermilab

    1988-08-02

    This engineering note describes a test fill of the 4-inch x 6-inch rotary bayonet test fixture with LN{sub 2}. This test verifies the operation of valves on the fixture, and checks for proper construction/insulation. Further cold testing is imminent (with rotation and moment loading of the bayonet) after proper construction is verified and the test fixture is accepted. While this test fixture is a pressure vessel (4-inch), it does not require special safety treatment because it is under 6-inch in diameter. Flow capacity calculations were done to insure that the relief valve chosen would be capable of handling fire/loss of vacuum conditions. The D-Zero Safety Committee Chairman was notified of this testing.

  2. " 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...

  3. Transfer between the cesium 6 {sup 2}P{sub 1/2} and 6 {sup 2}P{sub 3/2} levels induced by collisions with H{sub 2}, HD, D{sub 2}, CH{sub 4}, C{sub 2}H{sub 6}, CF{sub 4}, and C{sub 2}F{sub 6}

    SciTech Connect (OSTI)

    Pitz, Greg A.; Fox, Charles D.; Perram, Glen P.

    2011-09-15

    The cross sections of spin-orbit energy exchange between the cesium 6 {sup 2}P{sub 1/2}{r_reversible}6 {sup 2}P{sub 3/2} states induced by collisions with N{sub 2}, H{sub 2}, HD, D{sub 2}, CH{sub 4}, C{sub 2}H{sub 6}, CF{sub 4}, and C{sub 2}F{sub 6} were obtained for pressures less than 100 Torr at room temperature by means of steady-state laser-induced fluorescence techniques. The spin-orbit energy exchange rate with N{sub 2}, H{sub 2}, HD, D{sub 2}, CH{sub 4}, C{sub 2}H{sub 6}, CF{sub 4}, and C{sub 2}F{sub 6}, have been measured as {sigma}{sub 21}(6 {sup 2}P{sub 3/2}{yields}6 {sup 2}P{sub 1/2})= 16.3, 34.1, 30.0, 22.7, 21.4, 65.6, 64.8, and 137 A{sup 2} and {sigma}{sub 12}(6 {sup 2}P{sub 1/2}{yields}6 {sup 2}P{sub 3/2})= 1.8, 4.4, 4.1, 3.0, 2.9, 13.3, 9.7, and 16.3 A{sup 2}, respectively. Correlations of the spin-orbit transfer probabilities with rotational-energy defect and vibrational-energy defect have been shown.

  4. Building Technologies Program: Tax Deduction Qualified Software- TRACE 700 version 6.2.4

    Office of Energy Efficiency and Renewable Energy (EERE)

    Provides required documentation that TRACE 700 version 6.2.4 meets Internal Revenue Code §179D, Notice 2006-52, dated June 2, 2006, for calculating commercial building energy and power cost savings.

  5. 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.

  6. A study of radiolytic stability of 25,27-bis(2-propyloxy) calix[4]-26,28-crown-6 (iPR-C[4]C-6)

    SciTech Connect (OSTI)

    Jianchen, Wang; Chongli, Song

    2008-07-01

    The radiolytic stability of 25,27-bis(2-propyloxy)calix[4] arene -26,28-crown-6 (iPr-C[4]C-6) was studied. {sup 60}co was used as a radiation source. Its dose rate was 437 Gy/min., and the total absorbed dose of the iPr-C[4]C-6 was from 10{sup 4} to 10{sup 6} Gy. The iPr-C[4]C-6 solid and 0.025 mol/L iPr-C[4]C-6/n-octanol which were pre-equilibrated with 0.01 mol/L and 3 mol/L nitric acid, respectively, were given different doses, and their extraction performance was researched. Their degradation mechanism was investigated by mass spectrometry (MS) and infrared spectroscopy (IR). The results show that radiolytic stability of the iPr-C[4]C-6 solid and 0.025 mol/L iPr-C[4]C-6/n-octanol are good when their absorbed dose is less than 10{sup 6} Gy. The extracting system of iPr-C[4]C-6/n-octanol is promising for separating cesium from high-level liquid waste(HLLW)

  7. 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.

  8. 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.

  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, 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).

  10. 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).

  11. Hidden Superlattice in Tl2(SC6H4S) and Tl2(SeC6H4Se) Solved from Powder X-ray Diffraction

    SciTech Connect (OSTI)

    K Stone; D Turner; M Singh; T Vaid; P Stephens

    2011-12-31

    The crystal structures of the isostructural title compounds poly[({mu}-benzene-1,4-dithiolato)dithallium], Tl{sub 2}(SC{sub 6}H{sub 4}S), and poly[({mu}-benzene-1,4-diselenolato)dithallium], Tl{sub 2}(SeC{sub 6}H{sub 4}Se), were solved by simulated annealing from high-resolution synchrotron X-ray powder diffraction. Rietveld refinements of an initial structure with one formula unit per triclinic cell gave satisfactory agreement with the data, but led to a structure with impossibly close non-bonded contacts. A disordered model was proposed to alleviate this problem, but an alternative supercell structure leads to slightly improved agreement with the data. The isostructural superlattice structures were confirmed for both compounds through additional data collection, with substantially better counting statistics, which revealed the presence of very weak superlattice peaks not previously seen. Overall, each structure contains Tl-S or Tl-Se two-dimensional networks, connected by phenylene bridges. The sulfur (or selenium) coordination sphere around each thallium is a highly distorted square pyramid or a 'see-saw' shape, depending upon how many Tl-S or Tl-Se interactions are considered to be bonds. In addition, the two compounds contain pairs of Tl{sup I} ions that interact through a closed-shell 'thallophilic' interaction: in the sulfur compound there are two inequivalent pairs of Tl atoms with Tl-Tl distances of 3.49 and 3.58 {angstrom}, while in the selenium compound those Tl-Tl interactions are at 3.54 and 3.63 {angstrom}.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. Molecular and crystal structures of 4'-hydroxy derivative of (3R,6R)-3-methyl-6-isopropyl-2-(4-phenylbenzylidene)cyclohexanone

    SciTech Connect (OSTI)

    Kutulya, L. A.; Kulishov, V. I.; Shishkina, S. V.; Tolochko, A. S.; Roshal', A. D.; Shishkin, O. V.

    2008-05-15

    The molecular and crystal structures of the 4-hydroxy derivative of (3R,6R)-3-methyl-6-isopropyl-2-(4-phenylbenzylidene)cyclohexanone are determined by X-ray diffraction analysis. Single crystals are orthorhombic, a = 9.147(2) A, b = 12.959(2) A, c = 15.695(5) A, V = 1860.4(7) A{sup 3}, Z = 4, and space group P2{sub 1}2{sub 1}2{sub 1}. The cyclohexanone ring in the crystal structure has an asymmetric chair conformation. The puckering parameters are as follows: the puckering amplitude S is 0.91, and the puckering angles {theta} and {psi} are equal to 20.2{sup o} and 10.4{sup o}, respectively. It is established that the enone fragment and the cyclohexanone ring in molecules are flattened considerably. In the crystal structure, the molecules are linked by the hydrogen bonds (bond length, 1.85 A). The structural features and the strength of the hydrogen bonds for the compound under investigation and its analogue with one benzene ring are compared using the X-ray diffraction and IR spectroscopic data.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Degradation products of 2,4,6-Trinitrotoluene by a microbial consortia

    SciTech Connect (OSTI)

    Ortiz, O.; Parker, C.; Bender, J.

    1995-12-01

    Remediation of contaminated soils can be accomplished using microbial species. Of particular interest is the remediation of explosive contaminated soils. A microbial consortia has been developed which removes TNT by an unexplained mechanism. Our goal is to understand the degradation of TNT by this microbial mat. Constructed mats have been generated in our laboratory by enriching water with ensiled grass and adding specific microbial components for organic degradation. Microbial mats are natural mixed microbial communities dominated by cyanobacterias (blue-green algae). In this research, degradation products of TNT have been identified using GC/MS. Ninety-seven percent of TNT (1000 mg/L), was removed in < 1 day by floating mats placed over TNT-contaminated water in quiescent ponds. Metabolites of TNT, 2, 4-Dinitro-6 amminotoluene and 2-Nitro-4,6 diaminotoluene has been observed after 1 day of mat treatment. A mechanism is postulated for this degradation showing that two of the nitro groups of the TNT molecule are being reduced to amino groups systematically. Anoxic zones in the mat, containing sulfur-reducing bacteria, may account for the reduction of TNT. GC/MS shows significant decreases in metabolite concentrations in 4-7 days, indicating continued degradation of TNT. It has been found by toxicity assays that these metabolites appeared to be nontoxic and nonmutagenic. These results suggest that floating microbial mats may be useful for the decontamination of sites in the environment contaminated with TNT. Further studies using {sup 13}C TNT will focus on the fate of the carbon, to determine the intermediates products prior to transformations into hydrocarbons or utilization by the bacteria consortia.

  5. Data:4bc8edda-d0e1-40ee-aac2-c2b32603a6b4 | Open Energy Information

    Open Energy Info (EERE)

    edda-d0e1-40ee-aac2-c2b32603a6b4 No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1....

  6. Fundamental Kinetics Database Utilizing Shock Tube Measurements (Volumes 1, 2, 3, 4, and Volume 6)

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

    Davidson, D. F.; Hanson, R. K

    The data from shock tube experiments generally takes three forms: ignition delay times, species concentration time-histories and reaction rate measurements. Volume 1 focuses on ignition delay time data measured and published by the Shock Tube Group in the Mechanical Engineering Department of Stanford University. The cut-off date for inclusion into this volume was January 2005. Volume 2 focuses on species concentration time-histories and was cut off December 2005. The two volumes are in PDF format and are accompanied by a zipped file of supporting data. Volume 3 was issued in 2009. Volume 4, Ignition delay times measurements came out in May, 2014, along with Reaction Rates Measurements, Vol 6. Volume 5 is not available at this time.

  7. Aerobic degradation of 2,4,6-trinitrotoluene by Enterobacter cloacae PB2 and by pentaerythritol tetranitrate reductase

    SciTech Connect (OSTI)

    French, C.E.; Bruce, N.C.; Nicklin, S.

    1998-08-01

    Enterobacter cloacae PB2 was originally isolated on the basis of its ability to utilize nitrate esters, such as pentaerythritol tetranitrate (PETN) and glycerol trinitrate, as the sole nitrogen source for growth. The enzyme responsible is an NADPH-dependent reductase designated PETN reductase. E. cloacae PB2 was found to be capable of slow aerobic growth with 2,4,6-trinitrotoluene (TNT) as the sole nitrogen source. Dinitrotoluenes were not produced and could not be used as nitrogen sources. Purified PETN reductase was found to reduce TNT to its hydride-Meisenheimer complex, which was further reduced to the dihydride-Meisenheimer complex. Purified PETN reductase and recombinant Escherichia coli expressing PETN reductase were able to liberate nitrogen as nitrite from TNT. The ability to remove nitrogen from TNT suggests that PB2 or recombinant organisms expressing PETN reductase may be useful for bioremediation of TNT-contaminated soil and water.

  8. Chemically induced Parkinson's disease: intermediates in the oxidation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine to the 1-methyl-4-phenyl-pyridinium ion

    SciTech Connect (OSTI)

    Chacon, J.N.; Chedekel, M.R.; Land, E.J.; Truscott, T.G.

    1987-04-29

    Various unstable intermediate oxidation states have been postulated in the metabolic activation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine to the 1-methyl-4-phenyl pyridinium ion. We now report the first direct observation of these free radical intermediates by pulse radiolysis and flash photolysis. Studies are described of various reactions of such species, in particular with dopamine whose autoxidation to dopamine quinone is reported to be potentiated by 1-methyl-4-phenyl-1,2,3, 6-tetrahydropyridine.

  9. Photo-initiated reactions of 2,4,6 TCP on Degussa P25 formulation TiO{sub 2} : wavelength sensitive decomposition.

    SciTech Connect (OSTI)

    Hurum, D. C.; Gray, K. A.; Rajh, T.; Thurnauer, M. C.; Chemistry; Northwestern Univ.

    2004-10-21

    The photoinitiated oxidative reactions of 2,4,6 trichlorophenol (2,4,6 TCP) and 2,4,5 trichlorophenol (2,4,5 TCP) are studied on the titania photocatalyst Degussa P25. On this catalyst 2,4,6 TCP is used to confirm two distinct oxidative mechanisms that are triggered at different light-excitation wavelengths. A charge-transfer mechanism occurs at sub-bandgap energies of the photocatalyst leading to a phenoxyl radical product and an oxidative mechanism occurs at the bandgap leading to a semiquinone radical product. The wavelength dependence of these two mechanisms is discussed.

  10. Role of SrMoO{sub 4} in Sr{sub 2}MgMoO{sub 6} synthesis

    SciTech Connect (OSTI)

    Vasala, S.; Yamauchi, H.; Karppinen, M.

    2011-05-15

    Here we investigate the elemental and phase compositions during the solid-state synthesis of the promising SOFC-anode material, Sr{sub 2}MgMoO{sub 6}, and demonstrate that molybdenum does not notably evaporate under the normal synthesis conditions with temperatures up to 1200 {sup o}C due to the formation of SrMoO{sub 4} as an intermediate product at low temperatures, below 600 {sup o}C. However, partial decomposition of the Sr{sub 2}MgMoO{sub 6} phase becomes evident at the higher temperatures ({approx}1500 {sup o}C). The effect of SrMoO{sub 4} on the electrical conductivity of Sr{sub 2}MgMoO{sub 6} is evaluated by preparing a series of Sr{sub 2}MgMoO{sub 6} samples with different amounts of additional SrMoO{sub 4}. Under the reducing operation conditions of an SOFC anode the insulating SrMoO{sub 4} phase is apparently reduced to the highly conductive SrMoO{sub 3} phase. Percolation takes place with 20-30 wt% of SrMoO{sub 4} in a Sr{sub 2}MgMoO{sub 6} matrix, with a notable increase in electrical conductivity after reduction. Conductivity values of 14, 60 and 160 S/cm are determined at 800 {sup o}C in 5% H{sub 2}/Ar for the Sr{sub 2}MgMoO{sub 6} samples with 30, 40 and 50 wt% of added SrMoO{sub 4}, respectively. -- Graphical abstract: SrMoO{sub 4} is formed at low temperatures during the synthesis of Sr{sub 2}MgMoO{sub 6}, which prevents the volatilization of Mo from typical precursor mixtures of this promising SOFC anode material. SrMoO{sub 4} is insulating and it is often found as an impurity in Sr{sub 2}MgMoO{sub 6} samples. It is however readily reduced to highly conducting SrMoO{sub 3}. Composites of Sr{sub 2}MgMoO{sub 6} and SrMoO{sub 3} show increased electrical conductivities compared to pure Sr{sub 2}MgMoO{sub 6} under the reductive operation conditions of an SOFC anode. Display Omitted Highlights: {yields} Sr{sub 2}MgMoO{sub 6} is a promising SOFC anode material. {yields} During the Sr{sub 2}MgMoO{sub 6} synthesis SrMoO{sub 4} is formed at low

  11. Resonant Spin Excitation in the High Temperature Superconductor Ba0.6K0.4Fe2As2

    SciTech Connect (OSTI)

    Christianson, Andrew D; Goremychkin, E. A.; Osborn, R.; Rosenkranz, Stephen; Lumsden, Mark D; Malliakas, C.; Todorov, L.; Claus, H.; Chung, D.Y.; Kanatzidis, M.; Bewley, Robert I.; Guidi, T.

    2008-12-18

    A new family of superconductors containing layers of iron arsenide has attracted considerable interest because of their high transition temperatures (T{sub c}), some of which are >50 K, and because of similarities with the high-{sub c} copper oxide superconductors. In both the iron arsenides and the copper oxides, superconductivity arises when an antiferromagnetically ordered phase has been suppressed by chemical doping. A universal feature of the copper oxide superconductors is the existence of a resonant magnetic excitation, localized in both energy and wavevector, within the superconducting phase. This resonance, which has also been observed in several heavy-fermion superconductors is predicted to occur when the sign of the superconducting energy gap takes opposite values on different parts of the Fermi surface, an unusual gap symmetry which implies that the electron pairing interaction is repulsive at short range. Angle-resolved photoelectron spectroscopy shows no evidence of gap anisotropy in the iron arsenides, but such measurements are insensitive to the phase of the gap on separate parts of the Fermi surface. Here we report inelastic neutron scattering observations of a magnetic resonance below T{sub c} in Ba{sub 0.6}K{sub 0.4}Fe{sub 2}As{sub 2}, a phase-sensitive measurement demonstrating that the superconducting energy gap has unconventional symmetry in the iron arsenide superconductors.

  12. Structure, phase transitions, and isotope effects in [(CH3)4N]2PuCl6

    SciTech Connect (OSTI)

    Wilson, Richard E.

    2015-11-02

    The single crystal X-ray diffraction structure of [(CH3)4N]2PuCl6 is presented for the first time, resolving long standing confusion and speculation regarding the structure of this compound in the literature. A temperature dependent study of this compound shows that the structure of [(CH3)4N]2PuCl6 undergoes no fewer than two phase transitions between 100 and 360 K. The phase of [(CH3)4N]2PuCl6 at room temperature is Fd-3c a = 26.012(3) Å. At 360 K, the structure is in space group Fm-3m with a = 13.088(1) Å. The plutonium octahedra and tetramethylammonium cations undergo a rotative displacement and the degree of rotation varies with temperature, giving rise to the phase transition from Fm-3m to Fd-3c as the crystal is cooled. Synthesis and structural studies of the deuterated salt [(CD3)4N]2PuCl6 suggest that there is an isotopic effect associated with this phase transition as revealed by a changing transition temperature in the deuterated versus protonated compound indicating that the donor-acceptor interactions between the tetramethylammonium cations and the hexachloroplutonate anions are driving the phase transformation.

  13. Thermal Reactions of Uranium Metal, UO2, U3O8, UF4, and UO2F2 with NF3 to Produce UF6

    SciTech Connect (OSTI)

    McNamara, Bruce K.; Scheele, Randall D.; Kozelisky, Anne E.; Edwards, Matthew K.

    2009-11-01

    he objective of this paper is to demonstrate that NF3 fluorinates uranium metal, UO2, UF4, UO3, U3O8, and UO2F22H2O to produce the volatile UF6 at temperatures between 100 and 500?C. Thermogravimetric reaction profiles are described that reflect changes in the uranium oxidation state and discrete chemical speciation. Differences in the onset temperatures for each system indicate that NF3-substrate interactions are important for the temperature at which NF3 reacts: U metal > UO3 > UO2 > UO2F2 > UF4 and in fact may indicate different fluorination mechanisms for these various substrates. These studies demonstrate that NF3 is a potential replacement fluorinating agent in the existing nuclear fuel cycle and in oft-proposed actinide volatility reprocessing.

  14. (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.

  15. 4-(3-Methoxyphenyl)-2,6-dimethylcyclohex-3-enecarboxylic acid

    SciTech Connect (OSTI)

    Xie, Songwen; Nusbaum, Dannette A.; Stein, Holly J.; Pink, Maren

    2012-03-15

    The racemic title compound, C{sub 16}H{sub 20}O{sub 3}, was synthesized to study the hydrogen-bonding interaction of the two enantiomers in the solid state. In the crystal structure, R and S pairs of the racemate are linked by pairs of intermolecular O-H...O hydrogen bonds, producing centrosymmetric R{sub 2}{sup 2}(8) rings.

  16. Two new coordination polymers constructed by naphthalene-1,4-dicarboxylic acid and 2,4-diamino-6-methyl-triazine

    SciTech Connect (OSTI)

    Li, Yamin; Xiao, Changyu; Zhang, Xudong; Xu, Yanhui; Li, Junrui; Lun, Huijie; Chen, Qi

    2013-08-15

    Two new transition metal coordination complexes, ([MnO(nda)](H{sub 2}dmt)(H{sub 2}O)){sub n} (1), [Ag{sub 5}(nda){sub 2.5}(dmt)]{sub n} (2), (H{sub 2}nda=naphthalene-1,4-dicarboxylic acid, dmt=2,4-diamine-6-methyl-1,3,5-triazine) have been hydrothermally synthesized by the reactions of H{sub 2}nda and dmt with the homologous MnCl{sub 24H{sub 2}O and AgNO{sub 3}, respectively, and characterized by single-crystal X-ray diffraction, IR spectra, elemental analysis, thermogravimetric analysis (TGA). The compound 1 exhibits a 3D network comprising 1D metal chain (MnO(CO{sub 2}){sub 2}){sub n} connected by the ligand nda{sup 2−}, featuring a four-connected uninodal diamond -like topology. In compound 2, it is firstly observed that decanuclear silver units as secondary building units to construct 3D network by the ligands dmt and nda{sup 2−}, with a rare 2-nodal (3,8)-connected tfz-d topology ((4{sup 3}){sub 2}(4{sup 6}.6{sup 18}.8{sup 4})). The interactions within each Mn(II)—Mn(II) pair of compound 1 are antiferromagnetic (g=2.07, J=−1.42(1) cm{sup −1}, zj′=−0.73(2) cm{sup −1}). In addition, compound 2 exhibits photoluminescent property at about 472 nm (λ{sub ex}=394 nm). - Graphical abstract: Two new transition metal coordination complexes 1–2 have been hydrothermally synthesized and characterized by single-crystal X-ray diffraction, IR spectra, elemental analysis thermogravimetric analysis (TGA). Highlights: • The compound 1 exhibits a 3D network with four-connected uninodal diamond-like topology. • The first 3D network of 2 with a rare tfz-d topology consists of decanuclear silver clusters as secondary building units. • The magnetic measurement indicates the compound 1 shows antiferromagnetic interactions. • The photoluminescent property of 2 has been measured.

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

    SciTech Connect (OSTI)

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

    2009-09-15

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

  18. Magnetocaloric effect in gadolinium-oxalate framework Gd{sub 2}(C{sub 2}O{sub 4}){sub 3}(H{sub 2}O){sub 6}⋅(0{sub ⋅}6H{sub 2}O)

    SciTech Connect (OSTI)

    Sibille, Romain Didelot, Emilie; Mazet, Thomas; Malaman, Bernard; François, Michel

    2014-12-01

    Magnetic refrigerants incorporating Gd{sup 3+} ions and light organic ligands offer a good balance between isolation of the magnetic centers and their density. We synthesized the framework material Gd{sub 2}(C{sub 2}O{sub 4}){sub 3}(H{sub 2}O){sub 6}⋅0.6H{sub 2}O by a hydrothermal route and characterized its structure. The honeycomb lattice of Gd{sup 3+} ions interlinked by oxalate ligands in the (a,c) plane ensures their decoupling in terms of magnetic exchange interactions. This is corroborated by magnetic measurements indicating negligible interactions between the Gd{sup 3+} ions in this material. The magnetocaloric effect was evaluated from isothermal magnetization measurements. The maximum entropy change −ΔS{sub M}{sup max} reaches 75.9 mJ cm{sup −3} K{sup −1} (around 2 K) for a moderate field change (2 T)

  19. O R N L 2 0 1 5 - G 0 0 6 9 4 / t c c

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

    N L 2 0 1 5 - G 0 0 6 9 4 t c c D e l i v e r i n g i n d u s t r y s o l u t i o n s t h r o u g h p r e d i c t i v e s i mu l a t i o n * I mp r o v e d r e a c t o r p e r f...

  20. Negative to positive magnetoresistance and magnetocaloric effect in Pr0.6Er0.4Al2

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

    Pathak, Arjun K.; Gschneidner, Jr., K. A.; Pecharsky, V. K.

    2014-10-13

    We report on the magnetic, magnetocaloric and magnetotransport properties of Pr0.6Er0.4Al2. The title compound exhibits a large positive magnetoresistance (MR) for H ≥ 40 kOe and a small but non negligible negative MR for H ≤ 30 kOe. The maximum positive MR reaches 13% at H = 80 kOe. The magnetic entropy and adiabatic temperature changes as functions of temperature each show two anomalies: a broad dome-like maximum below 20 K and a relatively sharp peak at higher temperature. As a result, observed behaviors are unique among other binary and mixed lanthanide compounds.

  1. 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.

  2. Data:5277c4c2-0b8b-4179-ad2c-59139826c6f2 | Open Energy Information

    Open Energy Info (EERE)

    ad2c-59139826c6f2 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...

  3. Intrinsic Nanostructure in Zr2-xFe4Si16-y (x=0.81, y=6.06)

    SciTech Connect (OSTI)

    Smith, G J; Simonson, J W; Orvis, T; Marques, C; Grose, J E; Kistner-Morris, J J; Wu, L; Cho, Kyuil; Kim, Hyong june; Tanatar, Makariy A; Garlea, V O; Prozorov, Ruslan; Zhu, Y; Aronson, M C

    2014-09-17

    We present a study of the crystal structure and physical properties of single crystals of a new Fe-based ternary compound, Zr2?x Fe4Si16?y(x=0.81,y=6.06). Zr1.19 Fe4Si9.94 is a layered compound, where stoichiometric ?-FeSi2-derived slabs are separated by Zr-Si planes with substantial numbers of vacancies. High resolution transmission electron microscopy (HRTEM) experiments show that these Zr-Si layers consist of 3.5nm domains where the Zrand Si vacancies are ordered within a supercell sixteen times the volume of the stoichiometric cell. Within these domains, the occupancies of the Zr and Si sites obey symmetry rules that permit only certain compositions, none of which by themselves reproduce the average composition found in x-ray diffraction experiments. Magnetic susceptibility and magnetization measurements reveal a small but appreciable number of magnetic moments that remain freely fluctuating to 1.8K, while neutron diffraction confirms the absence of bulk magnetic order with a moment of 0.2? B or larger down to 1.5K. Electrical resistivity measurements find that Zr1.19Fe4Si9.94 is metallic, and the modest value of the Sommerfeld coefficient of the specific heat ? = C/T suggests that quasi-particle masses are not particularly strongly enhanced. The onset of superconductivity at Tc 6K results in a partial resistive transition and a small Meissner signal, although a bulk-like transition is found in the specific heat. Sharp peaks in the ac susceptibility signal the interplay of the normal skin depth and the London penetration depth, typical of a system in which nano-sized superconducting grains are separated by a on-superconducting host. Ultra low field differential magnetic susceptibility measurements reveal the presence of a surprisingly large number of trace magnetic and superconducting phases, suggesting that the Zr-Fe-Si ternary system could be a potentially rich source of new bulk superconductor.

  4. TTW 4-6-06

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

    6, 2006 WIPP Quick Facts (As of 04-05-06) 4,472 Shipments received since opening 36,697 Cubic meters of waste disposed 76,623 Containers disposed in the underground Trone appointed to new position SNL-Carlsbad Program Group has announced the appointment of Janis Trone as the team lead for Quality Assurance (QA). Trone has seven years of experience in WIPP QA. Since joining SNL in 1993, she has worked in QA, the National TRU Program and Performance Assessment. CEO Tour Chuck Spencer, chief

  5. D-B CONST Ex A (Rev. 4.2, 6/14/13) Exhibit A General Conditions

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

    2, 6/14/13) Exhibit A General Conditions Page 1 of 28 EXHIBIT "A" GENERAL CONDITIONS TABLE OF CONTENTS GC Title Page GC-1 DEFINITIONS (Aug 2012) .......................................................................................................... 3 GC-2 AUTHORIZED REPRESENTATIVES, COMMUNICATIONS AND NOTICES (Apr 2013) ........................................................................................................................................... 3 GC-3 INDEPENDENT

  6. 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.

  7. Data:D045f2af-6b4f-465b-b015-d2ee4a986972 | 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...

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

    SciTech Connect (OSTI)

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

    2011-01-01

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

  9. 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

  10. Final analysis of proton form factor ratio data at Q2 = 4.0, 4.8, and 5.6 GeV2

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

    Puckett, A. J. R.; Brash, E. J.; Gayou, O.; Jones, M. K.; Pentchev, L.; Perdrisat, C. F.; Punjabi, V.; Aniol, K. A.; Averett, T.; Benmokhtar, F.; et al

    2012-04-11

    Recently published measurements of the proton electromagnetic form factor ratio R = μp GEp/GMp at momentum transfers Q2 up to 8.5 GeV2 in Jefferson Lab Hall C deviate from the linear trend of previous measurements in Jefferson Lab Hall A, favoring a slower rate of decrease of R with Q2. While statistically compatible in the region of overlap with Hall A, the Hall C data hint at a systematic difference between the two experiments. This possibility was investigated in a reanalysis of the Hall A data. We find that the original analysis underestimated the background in the selection of elasticmore » events. The application of an additional cut to further suppress the background increases the results for R, improving the consistency between Halls A and C.« less

  11. Brazing ZrO{sub 2} ceramic to Ti6Al4V alloy using NiCrSiB amorphous filler foil: Interfacial microstructure and joint properties

    SciTech Connect (OSTI)

    Cao, J., E-mail: cao_jian@hit.edu.cn [Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Song, X.G., E-mail: song_xiaoguohit@yahoo.com.cn [Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Li, C., E-mail: li_chun1989@yahoo.cn [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Zhao, L.Y., E-mail: Zhao_ly@163.com [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Feng, J.C., E-mail: feng_jicai@163.com [Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China)

    2013-07-15

    Reliable brazing of ZrO{sub 2} ceramic and Ti6Al4V alloy was achieved using NiCrSiB amorphous filler foil. The interfacial microstructure of ZrO{sub 2}/Ti6Al4V joints was characterized by scanning electron microscope, energy dispersive spectrometer and micro-focused X-ray diffractometer. The effects of brazing temperature on the interfacial microstructure and joining properties of brazed joints were investigated in detail. Active Ti of Ti6Al4V alloy dissolved into molten filler metal and reacted with ZrO{sub 2} ceramic to form a continuous TiO reaction layer, which played an important role in brazing. Various reaction phases including Ti{sub 2}Ni, Ti{sub 5}Si{sub 3} and ?-Ti were formed in brazed joints. With an increasing of brazing temperature, the TiO layer thickened gradually while the Ti{sub 2}Ni amount reduced. Shear test indicated that brazed joints tend to fracture at the interface between ZrO{sub 2} ceramic and brazing seam or Ti{sub 2}Ni intermetallic layer. The maximum average shear strength reached 284.6 MPa when brazed at 1025 C for 10 min. - Graphical Abstract: Interfacial microstructure of ZrO{sub 2}/TC4 joint brazed using NiCrSiB amorphous filler foil was: ZrO{sub 2}/TiO/Ti{sub 2}Ni + ?-Ti + Ti{sub 5}Si{sub 3}/?-Ti/Widmansttten structure/TC4. - Highlights: Brazing of ZrO{sub 2} ceramic and Ti-6Al-4V alloy was achieved. Interfacial microstructure was TiO/Ti{sub 2}Ni + ? + Ti{sub 5}Si{sub 3}/?/Widmansttten structure. The formation of TiO produced the darkening effect of ZrO{sub 2} ceramic. The highest joining strength of 284.6MPa was obtained.

  12. Spin orientations of the spin-half Ir4+ ions in Sr3NiIrO6, Sr2IrO4 and Na2IrO3: Density functional, perturbation theory and Madelung potential analyses

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

    Gordon, Elijah E.; Xiang, Hongjun; Koehler, Jurgen; Whangbo, Myung -Hwan

    2016-03-01

    The spins of the low-spin Ir4+ (S = 1/2, d5) ions at the octahedral sites of the oxides Sr3NiIrO6, Sr2IrO4 and Na2IrO3 exhibit preferred orientations with respect to their IrO6 octahedra. We evaluated the magnetic anisotropies of these S = 1/2 ions on the basis of DFT calculations including spin-orbit coupling (SOC), and probed their origin by performing perturbation theory analyses with SOC as perturbation within the LS coupling scheme. The observed spin orientations of Sr3NiIrO6 and Sr2IrO4 are correctly predicted by DFT calculations, and are accounted for by the perturbation theory analysis. As for the spin orientation of Na2IrO3,more » both experimental studies and DFT calculations have not been unequivocal. Our analysis reveals that the Ir4+ spin orientation of Na2IrO3 should have nonzero components along the c- and a-axes directions. The spin orientations determined by DFT calculations are sensitive to the accuracy of the crystal structures employed, which is explained by perturbation theory analyses when interactions between adjacent Ir4+ ions are taken into consideration. There are indications implying that the 5d electrons of Na2IrO3 are less strongly localized compared with those of Sr3NiIrO6 and Sr2IrO4. This implication was confirmed by showing that the Madelung potentials of the Ir4+ ions are less negative in Na2IrO3 than in Sr3NiIrO6, Sr2IrO4. Most transition-metal S = 1/2 ions do have magnetic anisotropies because the SOC induces interactions among their crystal-field split d-states, and the associated mixing of the states modifies only the orbital parts of the states. This finding cannot be mimicked by a spin Hamiltonian because this model Hamiltonian lacks the orbital degree of freedom, thereby leading to the spin-half syndrome. As a result, the spin-orbital entanglement for the 5d spin-half ions Ir4+ is not as strong as has been assumed lately.« less

  13. Final report for tank 241-AN-102, grab samples 2AN-95-1 through 2AN-95-6 and 102-AN-1 through 102-AN-4

    SciTech Connect (OSTI)

    Esch, R.A.

    1996-03-21

    Ten grab samples (2AN-95-1, 2, 3, 4A, 5A; 102-AN-1, 2, 3(A), 3(B), and 4) and one field blank (2AN-95-6) were taken from tank 241-AN-102. In support of the safety screening program, total organic carbon and cyanide were performed as secondary analyses because the differential scanning calorimetry results exceeded the notification limit. These were compared to safety screening limits at a confidence level of 95%. Waste compatibility analyses were performed on the 3 supernate samples and the field blank from the latest sampling event. Results presented in the 45 day and in this report show that the waste in Tank 241-AN-1D2 has energetics greater than 480 J/g (dry) and total organic carbon > 3 wt%; however, with a moisture content > 17 wt%, the tank may be considered ``conditionally`` safe in accordance with the Data Quality Objective to Support Resolution of the Organic Complexant Safety Issue.

  14. Balancing act: Evidence for a strong subdominant d-wave pairing channel in Ba0.6K0.4Fe2As2

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

    Böhm, T.; Kemper, A. F.; Moritz, B.; Kretzschmar, F.; Muschler, B.; Eiter, H. -M.; Hackl, R.; Devereaux, T. P.; Scalapino, D. J.; Wen, Hai -Hu

    2014-12-18

    We present detailed measurements of the temperature-dependent Raman spectra of optimally doped Ba0.6K0.4Fe2As2 and analyze the low-temperature spectra based on local-density-approximation band-structure calculations and the subsequent estimation of effective Raman vertices. Experimentally, a narrow, emergent mode appears in the B1g (dx2-y2) Raman spectra only below Tc, well into the superconducting state and at an energy below twice the energy gap on the electron Fermi-surface sheets. The Raman spectra can be reproduced quantitatively with estimates for the magnitude and momentum-space structure of an A1g (s-wave) pairing gap on different Fermi-surface sheets, as well as the identification of the emergent sharp featuremore » as a Bardasis-Schrieffer exciton. Formed as a Cooper-pair bound state in a subdominant dx2-y2 channel, the binding energy of the exciton relative to the gap edge shows that the coupling strength in the subdominant channel is as strong as 60% of that in the dominant s-wave channel. This result suggests that dx2-y2 may be the dominant pairing symmetry in Fe-based superconductors that lack central hole bands.« less

  15. New hypodiphosphates of the alkali metals: Synthesis, crystal structure and vibrational spectra of the hypodiphosphates(IV) M{sub 2}[(H{sub 2}P{sub 2}O{sub 6})(H{sub 4}P{sub 2}O{sub 6})] (M=Rb and Cs)

    SciTech Connect (OSTI)

    Wu, Peng; Wiegand, Thomas; Eckert, Hellmut

    2012-10-15

    The new hypodiphosphates(IV) Rb{sub 2}[(H{sub 2}P{sub 2}O{sub 6})(H{sub 4}P{sub 2}O{sub 6})] (1) and Cs{sub 2}[(H{sub 2}P{sub 2}O{sub 6})(H{sub 4}P{sub 2}O{sub 6})] (2) were synthesized by soft chemistry reactions from aqueous solutions of hypophosphoric acid and the corresponding heavy alkali-metal carbonates. Their crystal structures were determined by single crystal X-ray diffraction. Both compounds crystallize isotypic in the triclinic space group P-1 with one formula unit in the unit cell. The structures are built up by discrete (H{sub 2}P{sub 2}O{sub 6}){sup 2-} and (H{sub 4}P{sub 2}O{sub 6}) units in staggered conformation for the P{sub 2}O{sub 6} skeleton and the corresponding alkali-metal cations. In the (H{sub 2}P{sub 2}O{sub 6}){sup 2-} ion the hydrogen atoms are in a 'trans-trans' conformation. O{center_dot}H-O hydrogen bonds between the (H{sub 2}P{sub 2}O{sub 6}){sup 2-} and (H{sub 4}P{sub 2}O{sub 6}) groups consolidate the structures into a three-dimensional network. The FT-Raman and {sup 31}P and {sup 1}H and MAS NMR spectra of the title compounds have been recorded and interpreted, especially with respect to their assignment to the (H{sub 2}P{sub 2}O{sub 6}){sup 2-} and (H{sub 4}P{sub 2}O{sub 6}) groups. Thermogravimetric data of 2 have been interpreted in terms of a thermal decomposition model. - Graphical Abstract: The layered compounds Rb{sub 2}[(H{sub 2}P{sub 2}O{sub 6})(H{sub 4}P{sub 2}O{sub 6})] and Cs{sub 2}[(H{sub 2}P{sub 2}O{sub 6})(H{sub 4}P{sub 2}O{sub 6})] have been synthesized and investigated. Both crystallize isotypic. The structures are built up by discrete (H{sub 2}P{sub 2}O{sub 6}){sup 2-} and (H{sub 4}P{sub 2}O{sub 6}) units and the corresponding alkali-metal cations. Highlights: Black-Right-Pointing-Pointer Synthesis and single-crystal structure of new alkali hypodiphosphates. Black-Right-Pointing-Pointer Structures are characterized by [(H{sub 2}P{sub 2}O{sub 6})(H{sub 4}P{sub 2}O{sub 6})]{sup 2-} units and M{sup +} cations

  16. Highly efficient visible-light-induced photocatalytic activity of Bi{sub 2}WO{sub 6}/BiVO{sub 4} heterojunction photocatalysts

    SciTech Connect (OSTI)

    Chaiwichian, Saranyoo; Inceesungvorn, Burapat; Wetchakun, Khatcharin; Phanichphant, Sukon; Kangwansupamonkon, Wiyong; Wetchakun, Natda

    2014-06-01

    Highlights: Bi{sub 2}WO{sub 6}/BiVO{sub 4} heterojunction photocatalysts were obtained using hydrothermal method. Physicochemical properties played a significant role on photocatalytic efficiency. Bi{sub 2}WO{sub 6}/BiVO{sub 4} heterogeneous structures were greatly enhanced for degradation of MB. A tentative mechanism of charge transfer process in MB degradation was proposed. - Abstract: The Bi{sub 2}WO{sub 6}/BiVO{sub 4} heterojunction photocatalysts were synthesized by hydrothermal method. Physical properties of the heterojunction photocatalyst samples were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) techniques. The XRD results indicated that BiVO{sub 4} retain monoclinic and tetragonal structures, while Bi{sub 2}WO{sub 6} presented as orthorhombic structure. The Brunauer, Emmett and Teller (BET) adsorptiondesorption of nitrogen gas for specific surface area determination at the temperature of liquid nitrogen was performed on all samples. UVvis diffuse reflectance spectra (UVvis DRS) were used to identify the absorption range and band gap energy of the heterojunction photocatalysts. The photocatalytic performance of Bi{sub 2}WO{sub 6}/BiVO{sub 4} heterojunction photocatalysts was studied via the photodegradation of methylene blue (MB) under visible light irradiation. The results indicated that the heterojunction photocatalyst at 0.5:0.5 mole ratio of Bi{sub 2}WO{sub 6}:BiVO{sub 4} shows the highest photocatalytic activity.

  17. Itinerant ferromagnetism in the As 4p conduction band of Ba0.6K0.4Mn2As2 identified by x-ray magnetic circular dichroism

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

    Ueland, B. G.; Pandey, Abhishek; Lee, Y.; Sapkota, A.; Choi, Y.; Haskel, D.; Rosenberg, R. A.; Lang, J. C.; Harmon, B. N.; Johnston, D. C.; et al

    2015-05-27

    In this study, x-ray magnetic circular dichroism (XMCD) measurements on single-crystal and powder samples of Ba0.6K0.4Mn2As2 show that the ferromagnetism below TC ≈ 100 K arises in the As 4p conduction band. No XMCD signal is observed at the Mn x-ray absorption edges. Below TC, however, a clear XMCD signal is found at the As K edge which increases with decreasing temperature. The XMCD signal is absent in data taken with the beam directed parallel to the crystallographic c axis indicating that the orbital magnetic moment lies in the basal plane of the tetragonal lattice. These results show that themore » previously reported itinerant ferromagnetism is associated with the As 4p conduction band and that distinct local-moment antiferromagnetism and itinerant ferromagnetism with perpendicular easy axes coexist in this compound at low temperature.« less

  18. Magnetic domain structure and domain-wall energy in UFe{sub 8}Ni{sub 2}Si{sub 2} and UFe{sub 6}Ni{sub 4}Si{sub 2} intermetallic compounds

    SciTech Connect (OSTI)

    Wyslocki, J.J.; Suski, W.; Wochowski, K.

    1994-03-01

    Magnetic domain structures in the UFe{sub 8}Ni{sub 2}Si{sub 2} and UFe{sub 6}Ni{sub 4}Si{sub 2} compounds were studied using the powder pattern method. The domain structure observed is typical for uniaxial materials. The domain-wall energy density {gamma} was determined from the average surface domain width D{sub s} observed on surfaces perpendicular to the easy axis as equal to 16 erg/cm{sup 2} for UFe{sub 8}Ni{sub 2}Si{sub 2} and 10 erg/cm{sup 2} for UFe{sub 6}Ni{sub 4}Si{sub 2}. Moreover, the critical diameter for single domain particle D{sub c} was calculated for the studied compounds.

  19. Characterization of collision cascade damage in Ca{sub 2}La{sub 8}(SiO{sub 4}){sub 6}O{sub 2} by HRTEM

    SciTech Connect (OSTI)

    Weber, W.J.; Wang, L.M.

    1994-12-01

    Ca{sub 2}La{sub 8}(SiO{sub 4}){sub 6}O{sub 2} thin crystals become amorphous under ion beam irradiation. The ion dose required for complete amorphization of the thin crystal (critical amorphization dose, D{sub c}) increased with the increasing irradiation temperature and decreased with ion mass at elevated temperatures. Samples irradiated with 1-1.5 MeV Ar{sup +}, Kr{sup +} and Xe{sup +} ions to doses much lower than Dc, in the temperature range from 20 to 498 K were used for a detailed HRTEM study to better understand the amorphization process. The residual collision cascade damage after irradiation appeared as manometer scale amorphous domains. The images of these domains are extremely sensitive to the sample thickness. Small domains of cascade size were only found at the very thin edge of the sample. In thicker regions, amorphous domains appear after higher doses as the result of cascade overlap in projection. At higher temperatures, the observed amorphous domains are smaller indicating thermal recovery at the amorphous/crystalline interface. The amorphous domains are also larger in size after irradiation with ions of higher mass at a fixed ion dose. These results are consistent with the Dc-temperature curves determined by in situ TEM with the HVEM-Tandem Facility at Argonne National Laboratory. The width of the amorphous rim along the edge of the specimen grew with increasing ion dose suggesting that amorphization also proceeds from the sample surface. Images of the collision cascade damage were compared to the cascade sizes calculated with the TRIM code. Some digitally acquired HRTEM images of the cascade damage were processed to reveal more detailed information.

  20. Beamline 4.2.2

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

    Beamline 4.2.2 Beamline 4.2.2 Print Tuesday, 20 October 2009 08:31 Molecular Biology Consortium Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography...

  1. Metabolic effects of CYP2A6 and CYP2A13 on 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK)-induced gene mutation-A mammalian cell-based mutagenesis approach

    SciTech Connect (OSTI)

    Chiang, Huai-chih; Wang, Chin-Ying; Lee, Hui-Ling; Tsou, Tsui-Chun

    2011-06-01

    Both cytochrome P450 2A6 (CYP2A6) and cytochrome P450 2A13 (CYP2A13) are involved in metabolic activation of tobacco-specific nitrosamines and may play important roles in cigarette smoking-induced lung cancer. Unlike CYP2A6, effects of CYP2A13 on the tobacco-specific nitrosamine-induced mutagenesis in lung cells remain unclear. This study uses a supF mutagenesis assay to examine the relative effects of CYP2A6 and CYP2A13 on metabolic activation of a tobacco-specific nitrosamine, 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), and its resulting mutagenesis in human lung cells. A recombinant adenovirus-mediated CYP2A6/CYP2A13 expression system was established to specifically address the relative effects of these two CYPs. Mutagenesis results revealed that both CYP2A6 and CYP2A13 significantly enhanced the NNK-induced supF mutation and that the mutagenic effect of CYP2A13 was markedly higher than that of CYP2A6. Analysis of NNK metabolism indicated that {>=} 70% of NNK was detoxified to 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL), either with or without CYP2A6/CYP2A13 expression. Both CYP2A6 and CYP2A13 significantly enhanced the {alpha}-hydroxylation of NNK; and the {alpha}-hydroxylation activity of CYP2A13 was significantly higher than that of CYP2A6. Analysis of the NNK-related DNA adduct formation indicated that, in the presence of CYP2A13, NNK treatments caused marked increases in O{sup 6}-methylguanine (O{sup 6}-MeG). The present results provide the first direct in vitro evidence demonstrating the predominant roles of CYP2A13 in NNK-induced mutagenesis, possibly via metabolic activation of NNK {alpha}-hydroxylation.

  2. Crystal structure of bis(isothiocyanato)[2,6-diacetylpyridine bis(4-hydroxybenzoylhydrazone)]Fe(III) Chloride bis(dimethylformamide) solvate

    SciTech Connect (OSTI)

    Dilek, N.; Guenes, B.; Bueyuekguengoer, O.; Guep, R.

    2013-01-15

    The crystal structure of title compound (Fe[(C{sub 25}H{sub 21}N{sub 7}O{sub 4}S{sub 2})] {center_dot} 4(C{sub 3}NOH{sub 7}), where C{sub 3}NOH{sub 7} is dimethylformamide, DMF) was determined by the X-ray diffraction method. This compound crystallizes in the monoclinic C2/c space group, Z = 4. Unit cell parameters are: a = 13.6080(5), b = 17.6375(7), c = 19.5571(6) A, {beta} = 108.753(2) Degree-Sign . The N-H...O and O-H...O interactions stabilize the molecules in the lattice. The structure contains also the solvent dimethylformamide molecules, which are connected with intermoleculer hydrogen bond. The O atoms of DMF molecules take place as acceptor atoms.

  3. Beamline 6.1.2

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

    Beamline 6.1.2 Beamline 6.1.2 Print Tuesday, 20 October 2009 08:41 Center for X-Ray Optics Soft X-Ray Microscopy Scientific disciplines: Magnetism, spin dynamics, x-ray optics,...

  4. Beamline 6.1.2

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

    6.1.2 Beamline 6.1.2 Print Tuesday, 20 October 2009 08:41 Center for X-Ray Optics Soft X-Ray Microscopy Scientific disciplines: Magnetism, spin dynamics, x-ray optics,...

  5. Active Phase of a Nickel Phosphide (Ni2P) Catalyst Supported on KUSY Zeolite for the Hydrodesulfurization of 4,6-DMDBT

    SciTech Connect (OSTI)

    Lee,Y.; Shu, Y.; Oyama, S.

    2007-01-01

    Ni{sub 2}P catalysts supported on potassium ion-exchanged ultrastable Y zeolites (KUSY) were prepared by temperature-programmed reduction (TPR), and the effect of Ni{sub 2}P loading and initial Ni/P ratios on the hydroprocessing performance was studied. X-ray diffraction (XRD), and extended X-ray absorption fine structure (EXAFS) were used to obtain structural parameters. Transmission electron microscopy (TEM) analysis showed that the KUSY-supported Ni{sub 2}P samples consisted of nanoparticles, which were likely situated in the mesoporous cavities or the external surfaces of the zeolite crystals. The catalytic activity was measured at 613 K and 3.1 MPa in a three-phase fixed bed reactor for hydrodesulfurization (HDS) and hydrodenitrogenation (HDN) using a model liquid feed containing 500 ppm S as 4,6-dimethyldibenzothiophene (4,6-DMDBT), 500 ppm N as quinoline, and 3000-6000 ppm S as dimethyldisulfide (DMDS). Partial exchange with K enhanced the catalytic activity for the HDS of 4,6-DMDBT and resistance to N-compound inhibition. The Ni{sub 2}P/KUSY had high activity with an HDS conversion of 99%, and an HDN conversion of 100%, which were much higher than those of a commercial Ni-Mo-S/Al{sub 2}O{sub 3} catalyst with an HDS conversion of 80% and HDN conversion of 100%, based on equal sites (240 {mu}mol) loaded in the reactor. The sites were counted by CO chemisorption for the phosphide and by low-temperature O{sub 2} chemisorption for the sulfide. Deficiency of P in the Ni{sub 2}P resulted in deactivation, probably due to susceptibility to sulfidation. EXAFS analysis of the catalysts showed that the addition of extra P led to an increase in Ni-P coordination with lengthening of Ni-Ni bond distances, resulting in a high and stable catalytic activity.

  6. Data:05d6c74a-9073-4ad2-8045-cd52082ca0a4 | 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...

  7. Beamline 4.2.2

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

    4.2.2 Print Molecular Biology Consortium Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) Scientific discipline: Structural biology GENERAL...

  8. PARC Periodical | Vol. 6, Issue 4 | Photosynthetic Antenna Research Center

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

    PARC Periodical | Vol. 6, Issue 4 April 6, 2015 PARC Periodical | Vol. 6, Issue 4 VIEW PERIODICAL HERE

  9. A preliminary prediction of the (ν{sub 2} + ν{sub 4}) combination band of {sup 34}SF{sub 6}

    SciTech Connect (OSTI)

    Meskine, M. Ouardi, O. Kaarour, A.

    2015-03-30

    Sulfur hexafluoride appears to be a species of growing importance in the field of atmospheric physics and chemistry as a pollutant that can contribute to the greenhouse effect. The infrared spectroscopy of SF6 is essential for quantitative measurements in the atmosphere, is still insufficiently known. In this work, we present a new contribution to this topic concerning (ν{sub 2}+ν{sub 4}) combination band. The prediction of this band is based on the tensorial formalism and vibrational extrapolation methods developed in Dijon. The effective Hamiltonian contains contribution from the ground state level GS, ν{sub 2} and ν{sub 4} witch are known from previous studies. The analysis has been performed using nonlinear least squares fit procedure included in the XTDS program to Jup=95.

  10. Intrinsic Gilbert damping constant in epitaxial Co{sub 2}Fe{sub 0.4}Mn{sub 0.6}Si Heusler alloys films

    SciTech Connect (OSTI)

    Kwilu, Augustin L. Sahashi, Masashi; Oogane, Mikihiko; Naganuma, Hiroshi; Ando, Yasuo

    2015-05-07

    The (001)-oriented and (110)-oriented epitaxial grown Co{sub 2}Fe{sub 0.4}Mn{sub 0.6}Si films were fabricated by magnetron sputtering technique in order to investigate the annealing temperature dependence of the intrinsic Gilbert damping constant (α). The stuck films, deposited on MgO and Al{sub 2}O{sub 3} a-plane substrates, respectively, were annealed at various temperatures ranging from 400 °C to 550 °C. The X-ray diffraction analysis was conducted to confirm that all the films were epitaxially grown. In addition, the ferromagnetic resonance measurements as well as the vibrating sample magnetometer were carried out to determine their magnetic properties. A small α of 0.004 was recorded for the sample with 001-oriented Co{sub 2}Fe{sub 0.4}Mn{sub 0.6}Si (CFMS (001)) and 110-oriented CFMS (CFMS (110)) annealed at 450 °C.

  11. Beamline 6.0.2

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

    0.2 Beamline 6.0.2 Print Tuesday, 20 October 2009 08:40 UltrafastFemtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces...

  12. [H{sub 2}en]{sub 2}{l_brace}La{sub 2}M(SO{sub 4}){sub 6}(H{sub 2}O){sub 2}{r_brace} (M=Co, Ni): First organically templated 3d-4f mixed metal sulfates

    SciTech Connect (OSTI)

    Yuan Yanping; Wang Ruiyao; Kong Deyuan; Mao Jianggao . E-mail: mjg@ms.fjirsm.ac.cn; Clearfield, Abraham

    2005-06-15

    The first organically templated 3d-4f mixed metal sulfates, [H{sub 2}en]{sub 2}{l_brace}La{sub 2}M(SO{sub 4}){sub 6}(H{sub 2}O){sub 2}{r_brace} (M=Co 1, Ni 2) have been synthesized and structurally determined from non-merohedrally twinned crystals. The two compounds are isostructural and their structures feature a three-dimensional anionic network formed by the lanthanum(III) and nickel(II) ions bridged by sulfate anions. The La(III) ions in both compounds are 10-coordinated by four sulfate anions in bidentate chelating fashion, and two sulfate anions in a unidentate fashion. The transition metal(II) ion is octahedrally coordinated by six oxygens from four sulfate anions and two aqua ligands. The doubly protonated enthylenediamine cations are located at the tunnels formed by 8-membered rings (four La and four sulfate anions)

  13. Negative to positive magnetoresistance and magnetocaloric effect in Pr0.6Er0.4Al2

    SciTech Connect (OSTI)

    Pathak, Arjun K.; Gschneidner, Jr., K. A.; Pecharsky, V. K.

    2014-10-13

    We report on the magnetic, magnetocaloric and magnetotransport properties of Pr0.6Er0.4Al2. The title compound exhibits a large positive magnetoresistance (MR) for H ≥ 40 kOe and a small but non negligible negative MR for H ≤ 30 kOe. The maximum positive MR reaches 13% at H = 80 kOe. The magnetic entropy and adiabatic temperature changes as functions of temperature each show two anomalies: a broad dome-like maximum below 20 K and a relatively sharp peak at higher temperature. As a result, observed behaviors are unique among other binary and mixed lanthanide compounds.

  14. Magnetic properties of Ni40+xMn39-xSn21 (x=0, 2, 4, 6 and 8 at.%) Heusler alloys

    SciTech Connect (OSTI)

    Lazpita, P.; Lograsso, T.; Schlagel, D. L.

    2014-01-27

    The low electron concentration region (e/a < 7.75) of the magnetic phase diagram of the off-stoichiometric NiMnSn Heusler alloys was investigated in detail by DSC and magnetization measurements of the Ni40+xMn39?xSn21(x = 0, 2, 4, 6 and 8 at.%) alloys. The alloys show a stable austenitic phase without any martensitic transformation down to 5 K even after heat treatment. The Curie temperature exhibits a broad maximum over a large composition range. The evolution of the magnetic moment with the electron concentration fits the data of previous studies and confirms the peak-like dependence in the extended range of e/a values predicted by ab initio calculations. The explored part of the moment versus e/a curve can be explained in terms of a localized magnetic moment model and full atomic order in the alloys.

  15. Photoimaging of the multiple filamentation of femtosecond laser pulses in poly(methyl methacrylate) doped with 2,2-difluoro-4-(9-anthracyl)-6-methyl-1,3,2-dioxaborine

    SciTech Connect (OSTI)

    Kulchin, Yu N; Vitrik, O B; Chekhlenok, A A; Zhizhchenko, A Yu; Proschenko, D Yu; Mirochnik, A G; Lyu Guohui

    2013-12-31

    We have studied the filamentation of femtosecond laser pulses (? = 800 nm, ?42 fs pulse duration) in poly(methyl methacrylate) doped with 2,2-difluoro-4-(9-anthracyl)-6-methyl-1,3,2- dioxaborine and the associated photomodification of the material. The results demonstrate that multiple filamentation occurs at pulse energies above 5 ?J. At a pulse energy of 1.5 mJ, it is accompanied by supercontinuum generation. The average filament length in PMMA is 9 mm and the filament diameter is ?10 ?m. An incident power density of ?10{sup 12} W cm{sup -2} ensures inscription of the filament pattern owing to two-photon photochemical processes. Preliminary exposure to continuous light at ? = 400 nm enables an ordered filament pattern to be written. (interaction of laser radiation with matter)

  16. Electron motion in the gases CF/sub 4/, C/sub 2/F/sub 6/, C/sub 3/F/sub 8/, and n-C/sub 4/F/sub 10/

    SciTech Connect (OSTI)

    Hunter, S.R.; Carter, J.G.; Christophorou, L.G.

    1988-07-01

    The drift velocity w of electrons has been measured in the perfluoroalkanes n-C/sub N/F/sub 2//sub N//sub +2/ (N = 1--4) over the density-reduced electric field (E/N) range 0.03 x 10/sup -17/ V cm/sup 2/less than or equal toE/Nless than or equal to500 x 10/sup -17/ V cm/sup 2/ using a pulsed Townsend experimental method. The present measurements of w are the first to be obtained for C/sub 2/F/sub 6/, C/sub 3/F/sub 8/, and n-C/sub 4/F/sub 10/ at low E/N values. The electron-drift-velocity measurements in C/sub 3/F/sub 8/ and n-C/sub 4/F/sub 10/ are dependent on gas pressure at high E/N values, even after allowing for nonequilibrium and boundary corrections to the measured electron swarm transit time. This is the first observation of a pressure dependence in the electron drift velocity in these gases and is believed to be due to changes in the electron energy distribution function f(epsilon-c,E/N) with gas pressure resulting from increases in the density-normalized electron attachment coefficient eta/N with gas pressure. The perfluoroalkanes CF/sub 4/, C/sub 2/F/sub 6/, and C/sub 3/F/sub 8/ exhibit regions of pronounced negative differential conductivity (NDC) similar to but smaller in magnitude than that in CH/sub 4/. Possible mechanisms leading to the observation of NDC effects in these molecular gases are discussed.

  17. Beamline 6.1.2

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

    Beamline 6.1.2 Beamline 6.1.2 Print Tuesday, 20 October 2009 08:41 Center for X-Ray Optics Soft X-Ray Microscopy Scientific disciplines: Magnetism, spin dynamics, x-ray optics, environmental science, materials science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 500-1300 eV Monochromator Zone-plate linear Measured flux (1.9 GeV, 400 mA) Images with 1000 x 1000 pixels, 1000 photons/pixel recorded in 3 s at 517 eV with 0.2% BW Resolving power (E/ΔE)

  18. Categorical Exclusion Determinations: B6.4 | Department of Energy

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

    4 Categorical Exclusion Determinations: B6.4 Existing Regulations B6.4: Facilities for ... Previous Regulations Categorical Exclusion Determinations dated before November 14th, 2011 ...

  19. Data:9436a490-e0ac-4ae2-b5e0-9ed6196f7cd6 | Open Energy Information

    Open Energy Info (EERE)

    ed6196f7cd6 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 Information 2....

  20. Measurement and simulation of the cross sections for the production of {sup 148}Gd in thin {sup nat}W and {sup 181}Ta targets irradiated with 0.4- to 2.6-GeV protons

    SciTech Connect (OSTI)

    Titarenko, Yu. E. Batyaev, V. F.; Titarenko, A. Yu.; Butko, M. A.; Pavlov, K. V.; Florya, S. N.; Tikhonov, R. S.; Zhivun, V. M.; Ignatyuk, A. V.; Mashnik, S. G.; Leray, S.; Boudard, A.; Cugnon, J.; Mancusi, D.; Yariv, Y.; Nishihara, K.; Matsuda, N.; Kumawat, H.; Mank, G.; Gudowski, W.

    2011-04-15

    The cross sections for the production of {sup 148}Gd in {sup nat}W and {sup 181}Ta targets irradiated by 0.4-, 0.6-, 0.8-, 1.2-, 1.6-, and 2.6-GeV protons at the ITEP accelerator complex have been measured by direct {alpha} spectrometry without chemical separation. The experimental data have been compared with the data obtained at other laboratories and with the theoretical simulations of the yields on the basis of the BERTINI, ISABEL, CEM03.02, INCL4.2, INCL4.5, CASCADE07, and PHITS codes.

  1. Utility of four strains of white-rot fungi for the detoxification of 2,4,6-trinitrotoluene in liquid culture

    SciTech Connect (OSTI)

    Donnelly, K.C.; Chen, J.C.; Huebner, H.J.; Brown, K.W.; Autenrieth, R.L.; Bonner, J.S.

    1997-06-01

    The purpose of this study was to investigate the potential of four different strains of white-rot fungi (Phanerochaete chrysosporium, Phanerochaete sordida, Phlebia brevispora, and Cyathus stercoreus) to degrade 2,4,6-trinitrotoluene (TNT) in liquid medium. Loss of TNT from the culture medium was determined using high-performance liquid chromatography (HPLC), while the mutagenicity of the medium residues were evaluated using the Salmonella/microsome bioassay. The data indicate that within 21 d of incubation, all fungi were able to reduce the TNT concentration in the liquid medium to below detection limits. In this study, P. sordida showed a relatively high growth rate and the fastest rate of TNT degradation. The fungal treatment also produced a significant reduction of TNT mutagenicity. Treatment with C. stercoreus, P. brevispora, P. sordida, and P. chrysosporium resulted in the elimination of 94%, 90%, 87%, and 67% of the initial TNT-amended medium mutagenicity, respectively. The data also demonstrate that during incubation, TNT was eliminated from the culture medium two to eight times faster than the reduction in mutagenic potential. These results suggest that TNT disappearance alone cannot be used as the sole criterion in TNT remediation. Chemical analysis revealed that the major metabolites in the initial transformation of TNT were the monoamino-dinitrotoluenes, which were also degraded by the selected white-rot fungi. The study demonstrated that the white-rot fungi are capable of metabolizing and detoxifying TNT under aerobic conditions in nonligninolytic liquid medium.

  2. 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.

  3. Beamline 4.2.2

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

    4.2.2 Print Molecular Biology Consortium Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend Energy range 5,500-16,000eV Monochromator Rosenbaum-Rock Si(111) sagitally focused monochromator Calculated flux (1.9 GeV, 400 mA) 2.5 x 1011 photons/s at 12 keV Resolving power (E/ΔE) 7,000 with Si(111) crystals Endstations Minihutch Detectors

  4. Beamline 4.2.2

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

    4.2.2 Print Molecular Biology Consortium Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend Energy range 5,500-16,000eV Monochromator Rosenbaum-Rock Si(111) sagitally focused monochromator Calculated flux (1.9 GeV, 400 mA) 2.5 x 1011 photons/s at 12 keV Resolving power (E/ΔE) 7,000 with Si(111) crystals Endstations Minihutch Detectors

  5. Beamline 4.2.2

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

    4.2.2 Print Molecular Biology Consortium Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend Energy range 5,500-16,000eV Monochromator Rosenbaum-Rock Si(111) sagitally focused monochromator Calculated flux (1.9 GeV, 400 mA) 2.5 x 1011 photons/s at 12 keV Resolving power (E/ΔE) 7,000 with Si(111) crystals Endstations Minihutch Detectors

  6. Beamline 4.2.2

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

    4.2.2 Print Molecular Biology Consortium Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend Energy range 5,500-16,000eV Monochromator Rosenbaum-Rock Si(111) sagitally focused monochromator Calculated flux (1.9 GeV, 400 mA) 2.5 x 1011 photons/s at 12 keV Resolving power (E/ΔE) 7,000 with Si(111) crystals Endstations Minihutch Detectors

  7. Beamline 6.1.2

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

    Beamline 6.1.2 Print Center for X-Ray Optics Soft X-Ray Microscopy Scientific disciplines: Magnetism, spin dynamics, x-ray optics, environmental science, materials science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 500-1300 eV Monochromator Zone-plate linear Measured flux (1.9 GeV, 400 mA) Images with 1000 x 1000 pixels, 1000 photons/pixel recorded in 3 s at 517 eV with 0.2% BW Resolving power (E/ΔE) 500-700 Endstations X-ray microscope (XM-1)

  8. Beamline 6.1.2

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

    Beamline 6.1.2 Print Center for X-Ray Optics Soft X-Ray Microscopy Scientific disciplines: Magnetism, spin dynamics, x-ray optics, environmental science, materials science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 500-1300 eV Monochromator Zone-plate linear Measured flux (1.9 GeV, 400 mA) Images with 1000 x 1000 pixels, 1000 photons/pixel recorded in 3 s at 517 eV with 0.2% BW Resolving power (E/ΔE) 500-700 Endstations X-ray microscope (XM-1)

  9. Beamline 6.1.2

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

    Beamline 6.1.2 Print Center for X-Ray Optics Soft X-Ray Microscopy Scientific disciplines: Magnetism, spin dynamics, x-ray optics, environmental science, materials science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 500-1300 eV Monochromator Zone-plate linear Measured flux (1.9 GeV, 400 mA) Images with 1000 x 1000 pixels, 1000 photons/pixel recorded in 3 s at 517 eV with 0.2% BW Resolving power (E/ΔE) 500-700 Endstations X-ray microscope (XM-1)

  10. Beamline 6.3.2

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

    Beamline 6.3.2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 µm, 0.01° Detectors Photodiode, channeltron Spot size at

  11. Beamline 6.3.2

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

    Beamline 6.3.2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 µm, 0.01° Detectors Photodiode, channeltron Spot size at

  12. Beamline 6.3.2

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

    Beamline 6.3.2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 µm, 0.01° Detectors Photodiode, channeltron Spot size at

  13. Beamline 6.3.2

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

    Beamline 6.3.2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 µm, 0.01° Detectors Photodiode, channeltron Spot size at

  14. NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} core/shell nanocomposite: A highly efficient visible-light-driven photocatalyst utilizing upconversion

    SciTech Connect (OSTI)

    Sun, Yuanyuan; Wang, Wenzhong Sun, Songmei; Zhang, Ling

    2014-04-01

    Highlights: Design and synthesis of NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} based on upconversion. NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} nanocomposite was prepared for the first time. Coreshell structure benefits the properties. Upconversion contributed to the enhanced photocatalytic activity. Helps to understand the functionality of new type photocatalysts. - Abstract: NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} core/shell nanocomposite was designed and prepared for the first time based on upconversion. The products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), high resolution TEM (HRTEM), energy dispersive X-ray spectroscopy (EDS) and diffuse reflectance spectra (DRS). The results revealed that the as-synthesized NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} consisted of spheres with a core diameter of about 26 nm and a shell diameter of around 6 nm. The core was upconversion illuminant NaYF{sub 4}:Er,Yb and the shell was Bi{sub 2}MoO{sub 6} around the core, which was confirmed by EDS. The NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} exhibited higher photocatalytic activity for the photodecomposition of Rhodamine B (RhB) under the irradiation of Xe lamp and green light emitting diode (g-LED). The mechanism of the high photocatalytic activity was discussed by photoluminescence spectra (PL), which is mainly attributed to upconversion of NaYF{sub 4}:Er,Yb in the NaYF{sub 4}:Er,Yb/Bi{sub 2}MoO{sub 6} nanocomposite and the coreshell structure.

  15. Beamline 6.0.2

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

    6.0.2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Decommissioned. To reopen as energy science (AMBER) beamline. Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times

  16. Beamline 6.0.2

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

    Beamline 6.0.2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Decommissioned. To reopen as energy science (AMBER) beamline. Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode.

  17. Beamline 6.0.2

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

    Beamline 6.0.2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Decommissioned. To reopen as energy science (AMBER) beamline. Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode.

  18. Comparative study on 2,2′,4,5,5′-pentachlorobiphenyl-mediated decrease in serum thyroxine level between C57BL/6 and its transthyretin-deficient mice

    SciTech Connect (OSTI)

    Kato, Yoshihisa; Tamaki, Sekihiro; Haraguchi, Koichi; Ikushiro, Shin-ichi; Sekimoto, Masashi; Ohta, Chiho; Endo, Tetsuya; Koga, Nobuyuki; Yamada, Shizuo; Degawa, Masakuni

    2012-09-15

    The relationships between the changes in the levels of serum total thyroxine (T{sub 4}), serum T{sub 4}-transthyretin (TTR) complex, and accumulation of T{sub 4} in tissues by 2,2′,4,5,5′-pentachlorobiphenyl (PentaCB) were examined using wild-type C57BL/6 (WT) and its TTR-deficient (TTR-null) mice. The constitutive level of serum total T{sub 4} was much higher in WT mice than in TTR-null mice. In WT mice 4 days after a single intraperitoneal injection with PentaCB (112 mg/kg), serum total T{sub 4} level was significantly decreased along with a decrease in serum T{sub 4}–TTR complex, and the levels of serum total T{sub 4} in the PentaCB-treated WT mice were almost the same to those in PentaCB-untreated (control) TTR-null mice. In addition, a slight decrease in serum total T{sub 4} by PentaCB treatment was observed in TTR-null mice. Furthermore, clearance of [{sup 125}I]T{sub 4} from the serum after [{sup 125}I]T{sub 4}-administration was promoted by the PentaCB-pretreatment in either strain of mice, especially WT mice. On the other hand, accumulation level of [{sup 125}I]T{sub 4} in the liver, but not in extrahepatic tissues, was strikingly enhanced in the PentaCB-pretreated WT and TTR-null mice. Furthermore, in both strains of mice, PentaCB-pretreatment led to significant increases in the steady-state distribution volume of [{sup 125}I]T{sub 4} and the concentration ratio of the liver to serum. The present findings demonstrate that PentaCB-mediated decrease in serum T{sub 4} level occurs mainly through increase in accumulation level of T{sub 4} in the liver and further indicate that the increased accumulation of T{sub 4} in the liver of WT mice is primarily dependent on the PentaCB-mediated inhibition of serum T{sub 4}–TTR complex formation.

  19. A novel inorganic-organic compound: Synthesis and structural characterization of tin(II) phenylbis(phosphonate), Sn{sub 2}(PO{sub 3}C{sub 6}H{sub 4}PO{sub 3})

    SciTech Connect (OSTI)

    Subbiah, Ayyappan; Bhuvanesh, Nattamai; Clearfield, Abraham . E-mail: clearfield@mail.chem.tamu.edu

    2005-04-15

    A novel tin(II) phenylbis(phosphonate) compound has been synthesized hydrothermally and its structure has been determined by single crystal X-ray diffraction. The structure is monoclinic, space group P2{sub 1}/c (no. 14), a=4.8094(4), b=16.2871(13), c=6.9107(6)A; {beta}=106.292(6){sup o}, V=519.59(7)A{sup 3}, Z=2. The three-dimensional structure consists of 3-coordinated tin and 4-coordinated phosphorus double layers separated (pillared) by phenyl rings. These phenyl rings are placed 4.8A apart along the a-axis in the structure resulting in lower surface area ({approx}14m{sup 2}/g). The porosity has been increased by replacing phenyl groups by methyl groups ({approx}31m{sup 2}/g)

  20. Structural characterization and AC conductivity of bis tetrapropylammonium hexachlorado-dicadmate, [N(C{sub 3}H{sub 7}){sub 4}]{sub 2}Cd{sub 2}Cl{sub 6}

    SciTech Connect (OSTI)

    Hannachi, N.; Guidara, K.; Bulou, A.; Hlel, F.

    2010-11-15

    Synthesis, crystal structure, vibrational study, {sup 13}C, {sup 111}Cd CP-MAS-NMR analysis and electrical properties of the compound [N(C{sub 3}H{sub 7}){sub 4}]{sub 2}Cd{sub 2}Cl{sub 6}, are reported. The latter crystallizes in the triclinic system (space group P1-bar, Z = 2) with the following unit cell dimensions: a = 9.530(1) A, b = 11.744(1) A, c = 17.433(1) A, {alpha} = 79.31(1){sup o}, {beta} = 84.00(1){sup o} and {gamma} = 80.32(1){sup o}. Besides, its structure was solved using 6445 independent reflections down to R = 0.037. The atomic arrangement can be described by alternating organic and inorganic layers parallel to the (11-bar 0) plan, made up of tetrapropylammonium groups and Cd{sub 2}Cl{sub 6} dimers, respectively. In crystal structure, the inorganic layer, built up by Cd{sub 2}Cl{sub 6} dimers, is connected to the organic ones through van der Waals interaction in order to build cation-anion-cation cohesion. Impedance spectroscopy study, reported in the sample, reveals that the conduction in the material is due to a hopping process. The temperature and frequency dependence of dielectric constants of the single crystal sample has been investigated to determine some related parameters to the dielectric relaxation.

  1. Synthesis and structural characterization of Al{sub 4}SiC{sub 4}-homeotypic aluminum silicon oxycarbide, [Al{sub 4.4}Si{sub 0.6}][O{sub 1.0}C{sub 2.0}]C

    SciTech Connect (OSTI)

    Kaga, Motoaki; Iwata, Tomoyuki [Department of Environmental and Materials Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Nakano, Hiromi [Cooperative Research Facility Center, Toyohashi University of Technology, Toyohashi 441-8580 (Japan); Fukuda, Koichiro, E-mail: fukuda.koichiro@nitech.ac.j [Department of Environmental and Materials Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan)

    2010-03-15

    A new quaternary layered oxycarbide, [Al{sub 4.39(5)}Si{sub 0.61(5)}]{sub S}IGMA{sub 5}[O{sub 1.00(2)}C{sub 2.00(2)}]{sub S}IGMA{sub 3}C, has been synthesized and characterized by X-ray powder diffraction, transmission electron microscopy and energy dispersive X-ray spectroscopy (EDX). The title compound was found to be hexagonal with space group P6{sub 3}/mmc, Z=2, and unit-cell dimensions a=0.32783(1) nm, c=2.16674(7) nm and V=0.20167(1) nm{sup 3}. The atom ratios Al:Si were determined by EDX, and the initial structural model was derived by the direct methods. The final structural model showed the positional disordering of one of the three types of Al/Si sites. The maximum-entropy methods-based pattern fitting (MPF) method was used to confirm the validity of the split-atom model, in which conventional structure bias caused by assuming intensity partitioning was minimized. The reliability indices calculated from the MPF were R{sub wp}=3.73% (S=1.20), R{sub p}=2.94%, R{sub B}=1.04% and R{sub F}=0.81%. The crystal was an inversion twin. Each twin-related individual was isostructural with Al{sub 4}SiC{sub 4} (space group P6{sub 3}mc, Z=2). - Graphical abstract: A new oxycarbide discovered in the Al-Si-O-C system, Al{sub 4}SiC{sub 4}-homeotypic [Al{sub 4.4}Si{sub 0.6}][O{sub 1.0}C{sub 2.0}]C. The crystal is an inversion twin, and hence the structure is represented by a split-atom model. The three-dimensional electron density distributions are determined by the maximum-entropy methods-based pattern fitting, being consistent with the disordered structural model.

  2. 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.

  3. Synthesis and structural and magnetic characterization of the frustrated magnetic system La{sub 2}Ni{sub 4/3?x}Co{sub x}Sb{sub 2/3}O{sub 6}

    SciTech Connect (OSTI)

    Franco, D.G.; Carbonio, R.E.; Nieva, G.

    2013-11-15

    We report the synthesis of double perovskites La{sub 2}Ni{sub 4/3?x}Co{sub x}Sb{sub 2/3}O{sub 6} with x=0, 1/3, 2/3 and 1 by a solid state method. Rietveld refinements of X-ray and neutron powder diffraction data show that all samples crystallize in space group P2{sub 1}/n, with almost perfect occupation of the 2d octahedral site with the transition metals, while all Sb{sup 5+} are randomly distributed in a 2c octahedral site. The saturation magnetization in hysteresis loops indicates that the samples are ferrimagnetic throughout all the series. Virgin magnetization curves lie outside hysteresis loops at low temperatures and thermal evolution of H{sub m} defined as the inflection point of these curves follows the de AlmeidaThouless dependence for x?0. This spin glass like behavior below 30 K is also supported by thermal evolution of the coercivity, which follows an exponential law typical of magnetic clusters, not found in the pure Ni{sup 2+} perovskite, x=0 extreme. - Graphical abstract: Display Omitted - Author-Highlights: We synthesized new double perovskites: La{sub 2}Ni{sub 4/3?x}Co{sub x}SbO{sub 6} (x=1/3, 2/3, 1). The cations occupying octahedral sites are highly ordered in all samples. Magnetic transition occurs as a consequence of superexchange paths. Frustration is found and attributed to competition between different interactions.

  4. table6.4_02.xls

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

    4 Consumption Ratios of Fuel, 2002; Level: National Data; Row: Employment Sizes within NAICS Codes; Column: Energy-Consumption Ratios; Unit: Varies. Consumption Consumption per ...

  5. DWPF SB6 INITIAL CPC FLOWSHEET TESTING SB6-1 TO SB6-4L TESTS OF SB6-A AND SB6-B SIMULANTS

    SciTech Connect (OSTI)

    Lambert, D.; Pickenheim, B.; Best, D.

    2009-09-09

    The Defense Waste Processing Facility (DWPF) will transition from Sludge Batch 5 (SB5) processing to Sludge Batch 6 (SB6) processing in late fiscal year 2010. Tests were conducted using non-radioactive simulants of the expected SB6 composition to determine the impact of varying the acid stoichiometry during the Sludge Receipt and Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME) processes. The work was conducted to meet the Technical Task Request (TTR) HLW/DWPF/TTR-2008-0043, Rev.0 and followed the guidelines of a Task Technical and Quality Assurance Plan (TT&QAP). The flowsheet studies are performed to evaluate the potential chemical processing issues, hydrogen generation rates, and process slurry rheological properties as a function of acid stoichiometry. These studies were conducted with the estimated SB6 composition at the time of the study. This composition assumed a blend of 101,085 kg of Tank 4 insoluble solids and 179,000 kg of Tank 12 insoluble solids. The current plans are to subject Tank 12 sludge to aluminum dissolution. Liquid Waste Operations assumed that 75% of the aluminum would be dissolved during this process. After dissolution and blending of Tank 4 sludge slurry, plans included washing the contents of Tank 51 to {approx}1M Na. After the completion of washing, the plan assumes that 40 inches on Tank 40 slurry would remain for blending with the qualified SB6 material. There are several parameters that are noteworthy concerning SB6 sludge: (1) This is the second batch DWPF will be processing that contains sludge that has had a significant fraction of aluminum removed through aluminum dissolution; (2) The sludge is high in mercury, but the projected concentration is lower than SB5; (3) The sludge is high in noble metals, but the projected concentrations are lower than SB5; and(4) The sludge is high in U and Pu - components that are not added in sludge simulants. Six DWPF process simulations were completed in 4-L laboratory-scale equipment using

  6. Integrated Dry NO{sub x}/SO{sub 2} Emissions Control System baseline SNCR test report, February 4--March 6, 1992

    SciTech Connect (OSTI)

    Smith, R.A.; Shiomoto, G.H.; Muzio, L.J.; Hunt, T.

    1993-09-01

    The DOE sponsored Integrated Dry NO{sub x}SO{sub 2} Emissions Control System program, which is a Clean Coal Technology III demonstration, is being conducted by Public Service Company of Colorado. The test site is Arapahoe Generating Station Unit 4, which is a 100 MWe, down-fired utility boiler burning a low sulfur western coal. The project goal is to demonstrate 70 percent reductions in NO{sub x} and SO{sub 2} emissions through the integration of: (1) down-fired low-NO{sub x} burners with overfire air; (2) selective Non-Catalytic Reduction (SNCR) for additional NO{sub x} removal; and (3) dry sorbent injection and duct humidification for SO{sub 2} removal. The effectiveness of the integrated system on a high-sulfur coal will also be tested. This report documents the second test phase of the program. This second test phase was comprised of the start up of the SNCR system followed by a brief parametric test series. Time constraints due to the retrofit schedule precluded optimizing the SNCR system. Testing investigated both urea and aqueous ammonia as SNCR chemicals. Other parameters investigated included boiler load, the amount of chemical injected, as well as injection parameters (injection location, amount of mixing air, dilution water flow, and injector orifice sizes). NO{sub x} removals of nominally 35 percent could be obtained with both chemicals while maintaining ammonia slip levels less than 10 ppM at full load. At higher chemical injection rates (nominal N/NO molar ratios of 1.5 to 2.0), NO{sub x} reductions in the range of 60 to 70 percent were achieved, but with unacceptable levels of NH{sub 3} slip. For a given level of NO{sub x} reduction, ammonia slip was lower with aqueous ammonia injection than with urea. The test program also confirmed prior observations that (1) the optimum temperature for NO{sub x} reduction with ammonia is lower than with urea, and (2) N{sub 2}O emissions as a by-product of the SNCR process are lower for ammonia compared to urea.

  7. LCLS-scheduling-run_6_Ver4.xlsx

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

    1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 Tue Wed Thu Fri Sat Sun Mon Tue Wed Thu Fri Sat Sun Mon Tue Wed Thu Fri Sat Sun Mon Tue Wed Thu Fri Sat Sun Mon Tue Wed Thu Day IH L431 Frank Com HR CXI inhouse L456 Krasniqi L481/ L481/ Com. IH MEC L525 Night Feng RD Timing L481/494 Com L481/494 L406 Berrah L434 Fuchs June 12 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 Fri Sat Sun Mon Tue Wed Thu Fri Sat Sun Mon Tue Wed Thu

  8. Final analysis of proton form factor ratio data at Q2 = 4.0, 4.8, and 5.6 GeV2

    SciTech Connect (OSTI)

    Puckett, A. J. R.; Brash, E. J.; Gayou, O.; Jones, M. K.; Pentchev, L.; Perdrisat, C. F.; Punjabi, V.; Aniol, K. A.; Averett, T.; Benmokhtar, F.; Bertozzi, W.; Bimbot, L.; Calarco, J. R.; Cavata, C.; Chai, Z.; Chang, C. -C.; Chang, T.; Chen, J. P.; Chudakov, E.; De Leo, R.; Dieterich, S.; Endres, R.; Epstein, M. B.; Escoffier, S.; Fissum, K. G.; Fonvieille, H.; Frullani, S.; Gao, J.; Garibaldi, F.; Gilad, S.; Gilman, R.; Glamazdin, A.; Glashausser, C.; Gomez, J.; Hansen, J. -O.; Higinbotham, D.; Huber, G. M.; Iodice, M.; de Jager, C. W.; Jiang, X.; Khandaker, M.; Kozlov, S.; Kramer, K. M.; Kumbartzki, G.; LeRose, J. J.; Lhuillier, D.; Lindgren, R. A.; Liyanage, N.; Lolos, G. J.; Margaziotis, D. J.; Marie, F.; Markowitz, P.; McCormick, K.; Michaels, R.; Milbrath, B. D.; Nanda, S. K.; Neyret, D.; Piskunov, N. M.; Ransome, R. D.; Raue, B. A.; Roch, R.; Rvachev, M.; Salgado, C.; Sirca, S.; Sitnik, I.; Strauch, S.; Todor, L.; Tomasi-Gustafsson, E.; Urciuoli, G. M.; Voskanyan, H.; Wijesooriya, K.; Wojtsekhowski, B. B.; Zheng, X.; Zhu, L.

    2012-04-11

    Recently published measurements of the proton electromagnetic form factor ratio R = ?p GEp/GMp at momentum transfers Q2 up to 8.5 GeV2 in Jefferson Lab Hall C deviate from the linear trend of previous measurements in Jefferson Lab Hall A, favoring a slower rate of decrease of R with Q2. While statistically compatible in the region of overlap with Hall A, the Hall C data hint at a systematic difference between the two experiments. This possibility was investigated in a reanalysis of the Hall A data. We find that the original analysis underestimated the background in the selection of elastic events. The application of an additional cut to further suppress the background increases the results for R, improving the consistency between Halls A and C.

  9. 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

  10. Beamline 6.3.2

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

    2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV...

  11. Tax Deduction Qualified Software: TRACE Version 6.3.2

    Office of Energy Efficiency and Renewable Energy (EERE)

    Provides required documentation that the TRACE version 6.3.2 meets Internal Revenue Code §179D (c)(1) and (d) Regulations Notice 2006-52, Section 6 requirements as amplified by Notice 2008-40, Section 4 requirements.

  12. Beamline 6.3.2

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

    (EE) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 m, 0.01 Detectors...

  13. Beamline 6.1.2

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

    1.2 Print Center for X-Ray Optics Soft X-Ray Microscopy Scientific disciplines: Magnetism, spin dynamics, x-ray optics, environmental science, materials science GENERAL BEAMLINE...

  14. Beamline 6.1.2

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

    1000 x 1000 pixels, 1000 photonspixel recorded in 3 s at 517 eV with 0.2% BW Resolving power (EE) 500-700 Endstations X-ray microscope (XM-1) Characteristics Full-field soft...

  15. Beamline 6.1.2

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

    recorded in 3 s at 517 eV with 0.2% BW Resolving power (EE) 500-700 Endstations X-ray microscope (XM-1) Characteristics Full-field soft x-ray transmission microscope Spatial...

  16. Synthesis, crystal structure and thermal behavior of two hydrated forms of lanthanide phthalates Ln{sub 2}(O{sub 2}+C{sub 6}H{sub 4}-CO{sub 2}){sub 3}(H{sub 2}O) (Ln=Ce, Nd) and Nd{sub 2}(O{sub 2}C-C{sub 6}H{sub 4}-CO{sub 2}){sub 3}(H{sub 2}O){sub 3}

    SciTech Connect (OSTI)

    Pizon, David; Henry, Natacha; Loiseau, Thierry; Roussel, Pascal; Abraham, Francis

    2010-09-15

    New hydrated lanthanide phthalates have been hydrothermally prepared with cerium and neodymium in different reaction media involving water or mixed water-ethanol solvent. The monohydrated Ln{sub 2}(1,2-bdc){sub 3}(H{sub 2}O) (Ln=Ce or Nd) and dihydrated Nd{sub 2}(1,2-bdc){sub 3}(H{sub 2}O){sub 2} forms have been characterized by single-crystal analysis. Their structures consist of infinite inorganic chains of lanthanide-centered polyhedra linked to each other through the phthalate ligands in order to generate mixed organic-inorganic layered structure. The two hydrated structures differ by the number of terminal water species attached to the lanthanide cations, which induce symmetry change from a triclinic (Nd{sub 2}(1,2-bdc){sub 3}(H{sub 2}O){sub 2}) to an orthorhombic (Nd{sub 2}(1,2-bdc){sub 3}(H{sub 2}O){sub 2}) cell for neodymium whereas the cerium-based phase only exists in the monohydrated form, with two distinct symmetries (orthorhombic or triclinic). Structural comparisons with the other members of the lanthanide phthalate series with identical chemical formula are also discussed. Thermal X-ray diffraction experiment indicates that the transformation from dihydrate form into the monohydrated form does not occur during a heating process. - Graphical abstract: New members of the chain-like structures of neodymium phthalates with different hydration states Nd{sub 2}(1,2-bdc){sub 3}(H{sub 2}O){sub x} (x=1 or 2, 1-2bdc=phthalate group) and comparison with cerium-based analogs.

  17. Beamline 6.1.2

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

    1.2 Print Center for X-Ray Optics Soft X-Ray Microscopy Scientific disciplines: Magnetism, spin dynamics, x-ray optics, environmental science, materials science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 500-1300 eV Monochromator Zone-plate linear Measured flux (1.9 GeV, 400 mA) Images with 1000 x 1000 pixels, 1000 photons/pixel recorded in 3 s at 517 eV with 0.2% BW Resolving power (E/ΔE) 500-700 Endstations X-ray microscope (XM-1)

  18. Beamline 6.1.2

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

    1.2 Print Center for X-Ray Optics Soft X-Ray Microscopy Scientific disciplines: Magnetism, spin dynamics, x-ray optics, environmental science, materials science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 500-1300 eV Monochromator Zone-plate linear Measured flux (1.9 GeV, 400 mA) Images with 1000 x 1000 pixels, 1000 photons/pixel recorded in 3 s at 517 eV with 0.2% BW Resolving power (E/ΔE) 500-700 Endstations X-ray microscope (XM-1)

  19. Beamline 6.3.2

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

    2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 µm, 0.01° Detectors Photodiode, channeltron Spot size at sample 300 µm

  20. Beamline 6.3.2

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

    2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 µm, 0.01° Detectors Photodiode, channeltron Spot size at sample 300 µm

  1. Beamline 6.3.2

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

    2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 µm, 0.01° Detectors Photodiode, channeltron Spot size at sample 300 µm

  2. Beamline 6.3.2

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

    2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 µm, 0.01° Detectors Photodiode, channeltron Spot size at sample 300 µm

  3. Beamline 6.1.2

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

    1.2 Print Center for X-Ray Optics Soft X-Ray Microscopy Scientific disciplines: Magnetism, spin dynamics, x-ray optics, environmental science, materials science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 500-1300 eV Monochromator Zone-plate linear Measured flux (1.9 GeV, 400 mA) Images with 1000 x 1000 pixels, 1000 photons/pixel recorded in 3 s at 517 eV with 0.2% BW Resolving power (E/ΔE) 500-700 Endstations X-ray microscope (XM-1)

  4. Beamline 6.1.2

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

    1.2 Print Center for X-Ray Optics Soft X-Ray Microscopy Scientific disciplines: Magnetism, spin dynamics, x-ray optics, environmental science, materials science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 500-1300 eV Monochromator Zone-plate linear Measured flux (1.9 GeV, 400 mA) Images with 1000 x 1000 pixels, 1000 photons/pixel recorded in 3 s at 517 eV with 0.2% BW Resolving power (E/ΔE) 500-700 Endstations X-ray microscope (XM-1)

  5. Beamline 6.3.2

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

    2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 µm, 0.01° Detectors Photodiode, channeltron Spot size at sample 300 µm

  6. RCRA Facility Investigation report for Waste Area Grouping 6 at Oak Ridge National Laboratory, Oak Ridge, Tennessee. Volume 2, Sections 4 through 9: Environmental Restoration Program

    SciTech Connect (OSTI)

    Not Available

    1991-09-01

    This report presents compiled information concerning a facility investigation of waste area group 6(WAG-6), of the solid waste management units (SWMU`s) at Oak Ridge National Laboratory (ORNL). The WAG is a shallow ground disposal area for low-level radioactive wastes and chemical wastes. The report contains information on hydrogeological data, contaminant characterization, radionuclide concentrations, risk assessment and baseline human health evaluation including a toxicity assessment, and a baseline environmental evaluation.

  7. SPEAR_09-10_rev_4-2-09.xls

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

    2008 2009 Dec Jan Feb Mar Apr May Jun Jul Aug Sep Oct S 1 1 S 2 1 1 2 2 3 M 3 3 1 2 MA 1 4 T 4 2 3 2 AP 3 W 1 3 1 4 1 3 7 4 5 12 MA 6 20 17 17 14 4 5 2 3 1 4 1 2 5 4 2 6 3 1 F...

  8. Beamline 6.0.2

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

    2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Decommissioned. To reopen as energy science (AMBER) beamline. Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times

  9. Beamline 6.0.2

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

    2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Decommissioned. To reopen as energy science (AMBER) beamline. Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times

  10. Beamline 6.0.2

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

    2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Decommissioned. To reopen as energy science (AMBER) beamline. Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times

  11. Beamline 6.0.2

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

    0.2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Decommissioned. To reopen as energy science (AMBER) beamline. Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times

  12. Beamline 6.0.2

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

    2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Decommissioned. To reopen as energy science (AMBER) beamline. Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times

  13. Beamline 6.0.2

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

    2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Decommissioned. To reopen as energy science (AMBER) beamline. Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times

  14. Beamline 6.0.2

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

    2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Decommissioned. To reopen as energy science (AMBER) beamline. Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times

  15. Beamline 6.0.2

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

    2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Decommissioned. To reopen as energy science (AMBER) beamline. Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times

  16. Beamline 6.0.2

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

    2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Decommissioned. To reopen as energy science (AMBER) beamline. Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times

  17. RSE Table N6.3 and N6.4. Relative Standard Errors for Tables N6.3 and N6.4

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

    3 and N6.4. Relative Standard Errors for Tables N6.3 and N6.4;" " Unit: Percents." " "," ",," ","Distillate"," "," " " "," ",,,"Fuel Oil",,,"Coal" "NAICS"," ","Net Demand","Residual","and",,"LPG and","(excluding Coal" "Code(a)","End Use","for Electricity(b)","Fuel

  18. Beamline 4.0.2

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

    Beamline 4.0.2 Beamline 4.0.2 Print Tuesday, 20 October 2009 08:27 Magnetic Spectroscopy and Scattering Scientific disciplines: Magnetism, materials science Endstations: Eight-pole...

  19. Replication Bypass of the trans-4-Hydroxynonenal-Derived (6S,8R,11S)-1,N[superscript 2]-Deoxyguanosine DNA Adduct by the Sulfolobus solfataricus DNA Polymerase IV

    SciTech Connect (OSTI)

    Banerjee, Surajit; Christov, Plamen P.; Kozekova, Albena; Rizzo, Carmelo J.; Egli, Martin; Stone, Michael P.

    2014-10-02

    trans-4-Hydroxynonenal (HNE) is the major peroxidation product of {omega}-6 polyunsaturated fatty acids in vivo. Michael addition of the N{sub 2}-amino group of dGuo to HNE followed by ring closure of N1 onto the aldehyde results in four diastereomeric 1,N{sub 2}-dGuo (1,N{sub 2}-HNE-dGuo) adducts. The (6S,8R,11S)-HNE-1,N{sub 2}-dGuo adduct was incorporated into the 18-mer templates 5'-d(TCATXGAATCCTTCCCCC)-3' and d(TCACXGAATCCTTCCCCC)-3', where X = (6S,8R,11S)-HNE-1,N{sub 2}-dGuo adduct. These differed in the identity of the template 5'-neighbor base, which was either Thy or Cyt, respectively. Each of these templates was annealed with either a 13-mer primer 5'-d(GGGGGAAGGATTC)-3' or a 14-mer primer 5'-d(GGGGGAAGGATTCC)-3'. The addition of dNTPs to the 13-mer primer allowed analysis of dNTP insertion opposite to the (6S,8R,11S)-HNE-1,N{sub 2}-dGuo adduct, whereas the 14-mer primer allowed analysis of dNTP extension past a primed (6S,8R,11S)-HNE-1,N{sub 2}-dGuo:dCyd pair. The Sulfolobus solfataricus P2 DNA polymerase IV (Dpo4) belongs to the Y-family of error-prone polymerases. Replication bypass studies in vitro reveal that this polymerase inserted dNTPs opposite the (6S,8R,11S)-HNE-1,N{sub 2}-dGuo adduct in a sequence-specific manner. If the template 5'-neighbor base was dCyt, the polymerase inserted primarily dGTP, whereas if the template 5'-neighbor base was dThy, the polymerase inserted primarily dATP. The latter event would predict low levels of Gua {yields} Thy mutations during replication bypass when the template 5'-neighbor base is dThy. When presented with a primed (6S,8R,11S)-HNE-1,N{sub 2}-dGuo:dCyd pair, the polymerase conducted full-length primer extension. Structures for ternary (Dpo4-DNA-dNTP) complexes with all four template-primers were obtained. For the 18-mer:13-mer template-primers in which the polymerase was confronted with the (6S,8R,11S)-HNE-1,N{sub 2}-dGuo adduct, the (6S,8R,11S)-1,N{sub 2}-dGuo lesion remained in the ring

  20. BEAMLINE 4-2

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

    2 CURRENT STATUS: Open SUPPORTED TECHNIQUES: Biological Small Angle X-ray Scattering/Diffraction Macromolecular solution x-ray scattering Lipid membrane diffraction Fiber diffraction Time-resolved x-ray scattering/diffraction Small-angle single crystal diffraction Ultra small-angle x-ray scattering (under development) MAIN SCIENTIFIC DISCIPLINES: Biology % TIME GENERAL USE: 100% SCHEDULING: Proposal Submittal and Scheduling Procedures Current SPEAR and Beam Line Schedules SOURCE: 20-pole,

  1. Data:6e9c2d62-8752-4ecd-8df5-cacbcd112c34 | Open Energy Information

    Open Energy Info (EERE)

    cacbcd112c34 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 Information 2....

  2. High-performance symmetric sodium-ion batteries using a new, bipolar O3-type material, Na 0.8 Ni 0.4 Ti 0.6 O 2

    SciTech Connect (OSTI)

    Guo, Shaohua; Yu, Haijun; Liu, Pan; Ren, Yang; Zhang, Tao; Chen, Mingwei; Ishida, Masayoshi; Zhou, Haoshen

    2015-01-01

    Based on low-cost and rich resources, sodium-ion batteries have been regarded as a promising candidate for next-generation energy storage batteries in the large-scale energy applications of renewable energy and smart grids. However, there are some critical drawbacks limiting its application, such as safety and stability problems. In this work, a stable symmetric sodium-ion battery based on the bipolar, active O3-type material, Na0.8Ni0.4Ti0.6O2, is developed. This bipolar material shows a typical O3-type layered structure, containing two electrochemically active transition metals with redox couples of Ni4+/Ni2+ and Ti4+/Ti3+, respectively. This Na0.8Ni0.4Ti0.6O2-based symmetric cell exhibits a high average voltage of 2.8 V, a reversible discharge capacity of 85 mA h g(-1), 75% capacity retention after 150 cycles and good rate capability. This full symmetric cell will greatly contribute to the development of room-temperature sodium-ion batteries with a view towards safety, low cost and long life, and it will stimulate further research on symmetric cells using the same active materials as both cathode and anode.

  3. 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.

  4. Categorical Exclusion Determinations: B4.6 | Department of Energy

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

    6 Categorical Exclusion Determinations: B4.6 Existing Regulations B4.6: Additions and modifications to transmission facilities Additions or modifications to electric power transmission facilities within a previously disturbed or developed facility area. Covered activities include, but are not limited to, switchyard rock grounding upgrades, secondary containment projects, paving projects, seismic upgrading, tower modifications, load shaping projects (such as the installation and use of flywheels

  5. RELATIVISTIC (E > 0.6, > 2.0, AND > 4.0 MeV) ELECTRON ACCELERATION AT GEOSYNCHRONOUS ORBIT DURING HIGH-INTENSITY, LONG-DURATION, CONTINUOUS AE ACTIVITY (HILDCAA) EVENTS

    SciTech Connect (OSTI)

    Hajra, Rajkumar; Echer, Ezequiel; Gonzalez, Walter D.; Tsurutani, Bruce T.; Santolik, Ondrej

    2015-01-20

    Radiation-belt relativistic (E > 0.6, > 2.0, and > 4.0 MeV) electron acceleration is studied for solar cycle 23 (1995-2008). High-intensity, long-duration, continuous AE activity (HILDCAA) events are considered as the basis of the analyses. All of the 35 HILDCAA events under study were found to be characterized by flux enhancements of magnetospheric relativistic electrons of all three energies compared to the pre-event flux levels. For the E > 2.0 MeV electron fluxes, enhancement of >50% occurred during 100% of HILDCAAs. Cluster-4 passes were examined for electromagnetic chorus waves in the 5 < L < 10 and 0 < MLT < 12 region when wave data were available. Fully 100% of these HILDCAA cases were associated with enhanced whistler-mode chorus waves. The enhancements of E > 0.6, > 2.0, and > 4.0 MeV electrons occurred ∼1.0 day, ∼1.5 days, and ∼2.5 days after the statistical HILDCAA onset, respectively. The statistical acceleration rates for the three energy ranges were ∼1.8 × 10{sup 5}, 2.2 × 10{sup 3}, and 1.0 × 10{sup 1} cm{sup –2} s{sup –1} sr{sup –1} d{sup –1}, respectively. The relativistic electron-decay timescales were determined to be ∼7.7, 5.5, and 4.0 days for the three energy ranges, respectively. The HILDCAAs were divided into short-duration (D ≤ 3 days) and long-duration (D > 3 days) events to study the dependence of relativistic electron variation on HILDCAA duration. For long-duration events, the flux enhancements during HILDCAAs with respect to pre-event fluxes were ∼290%, 520%, and 82% for E > 0.6, > 2.0, and > 4.0 MeV electrons, respectively. The enhancements were ∼250%, 400%, and 27% respectively, for short-duration events. The results are discussed with respect to the current understanding of radiation-belt dynamics.

  6. Beamline 4.0.2

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

    Beamline 4.0.2 Print Magnetic Spectroscopy and Scattering Scientific disciplines: Magnetism, materials science Endstations: Eight-pole electromagnet Scattering Chamber 9T magnet...

  7. Native defects in Tl6SI4: Density functional calculations

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

    Shi, Hongliang; Du, Mao -Hua

    2015-05-05

    In this study, Tl6SI4 is a promising room-temperature semiconductor radiation detection material. Here, we report density functional calculations of native defects and dielectric properties of Tl6SI4. Formation energies and defect levels of native point defects and defect complexes are calculated. Donor-acceptor defect complexes are shown to be abundant in Tl6SI4. High resistivity can be obtained by Fermi level pinning by native donor and acceptor defects. Deep donors that are detrimental to electron transport are identified and methods to mitigate such problem are discussed. Furthermore, we show that mixed ionic-covalent character of Tl6SI4 gives rise to enhanced Born effective charges andmore » large static dielectric constant, which provides effective screening of charged defects and impurities.« less

  8. 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.

  9. Synthesis of 6-Methyl-9-n-propyldibenzothiophene-4-ol

    SciTech Connect (OSTI)

    Not Available

    1991-10-28

    The material presented here has been described to some extent in Status Reports 12, 13, and 14 and covers the progress toward the synthesis of the modified target molecules 9-isopropyl-4-methoxy-6-methyldibenzothiophene (13) and 9-isopropyl-6-methyldibenzothiophene-4-ol (14). It is divided into three parts: (a) Dehydrogenation experiments On tetrahydrodibenzothiophene 12. (b) methoxyl methyl cleavage of 13 to 14 using boron tribromide. (c) isolation and purification of methoxydibenzothiophene 13.

  10. ULO_2.4W

    Energy Science and Technology Software Center (OSTI)

    2012-03-02

    ULO_2.4W is a computer program that can be used to model elastic wave propagation in heterogeneous media from earthquake (souble couple) point sources. The program is a modified version of the orginal program ULO_2.4 developed by Arben Pitarka. The modifications allow for treatment of solid liquid boundary conditions.

  11. Buildings Energy Data Book: 2.6 Residential Home Improvement

    Buildings Energy Data Book [EERE]

    6 2010-2011 National Professional Remodeling Cost and Amount Recouped in Resale Value Envelope Siding Replacement - Vinyl 11.4 8.2 72% Window Replacement - Vinyl 11.1 7.9 72% ...

  12. 2D-network of inorganic-organic hybrid material built on Keggin type polyoxometallate and amino acid: [L-C{sub 2}H{sub 6}NO{sub 2}]{sub 3}[(PO{sub 4})Mo{sub 12}O{sub 36}].5H{sub 2}O

    SciTech Connect (OSTI)

    Alizadeh, M.H. Mirzaei, M.; Razavi, H.

    2008-03-04

    A new inorganic-organic hybrid material based on polyoxometallate, [L-C{sub 2}H{sub 6}NO{sub 2}]{sub 3}[(PO{sub 4})Mo{sub 12}O{sub 36}].5H{sub 2}O, has been successfully synthesized and characterized by single-crystal X-ray analysis, elemental analysis, infrared and ultraviolet spectroscopy, proton nuclear magnetic resonance and differential thermal analysis techniques. The title compound crystallizes in the monoclinic space group, P2{sub 1}/c{sub ,} with a = 12.4938 (8) A, b = 19.9326 (12) A, c = 17.9270 (11) A, {beta} = 102.129 (1){sup o}, V = 4364.8 (5) A{sup 3}, Z = 4 and R{sub 1}(wR{sub 2}) = 0.0513, 0.0877. The most remarkable structural feature of this hybrid can be described as two-dimensional inorganic infinite plane-like (2D/{infinity} [(PO{sub 4})Mo{sub 12}O{sub 36}]{sup 3-}) which forming via weak Van der Waals interactions along the z axis. The characteristic band of the Keggin anion [(PO{sub 4})Mo{sub 12}O{sub 36}]{sup 3-} appears at 210 nm in the UV spectrum. Thermal analysis indicates that the Keggin anion skeleton begins to decompose at 520 deg. C.

  13. Structural and spectroscopic characterization of the macrocyclic complex: [Tb(CrO{sub 4})(H{sub 2}O)(C{sub 22}H{sub 26}N{sub 6})] {center_dot}0.5(Cr{sub 2}O{sub 7}){center_dot}(H{sub 2}O)

    SciTech Connect (OSTI)

    Ayala, J.D.; Bombieri, G.; Benetollo, F.

    1995-06-01

    The title complex was obtained by anion metathesis form [Tb(CH{sub 3}COO){sub 2}(C{sub 22}H{sub 26}N{sub 6})] (CH{sub 3}COO){center_dot}4H{sub 2}O and K{sub 2}CrO{sub 4} in aqueous solution. The compound crystallizes in the triclinic space group P1 with a = 8.384(2), b = 10.425(2) c = 15.752(2){angstrom}, {alpha} = 98.82(2), {beta} = 93.52(2), {gamma} = 97.22(2){degrees}, and Z = 2. The structure is ionic and consists of a (+1) complex cation balanced in a 2:1 ratio by a disordered dichromate ion. The 9-coordinate Tb(III) is linked to the six nitrogen atoms of the macrocyclic ligand L = C{sub 22}H{sub 26}N{sub 6}, as well as to a water molecule and a bidentate chelating chromate situated on opposite sides of the macrocycle. The infrared spectrum shows, in addition to the pattern of the macrocyclic ligand, the absorptions arising form the stretching modes of the bidentate chelating CrO{sub 4}{sup 2{minus}} ligand and of the Cr{sub 2}O{sub 7}{sup 2{minus}} counterion.

  14. Performances of YBaCo1.4Cu0.6O5+δ–Ce0.8Sm0.2O1.9 composite cathodes for intermediate-temperature solid oxide fuel cells

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

    Wang, Lizhong; Peng, Lu; Hu, Michael Z.; Lü, Shiquan; Meng, Xiangwei; Yu, Bo; Wei, Maobin; Fan, Hougang; Yang, Lili

    2015-08-20

    In this paper, the electrochemical properties of YBaCo1.4Cu0.6O5+δ–xCe0.8Sm0.2O1.9 (YBCC–xSDC, x=20, 30, 40, 50 wt%) have been investigated for the potential application in intermediate-temperature solid oxide fuel cells (IT-SOFCs). No chemical reactions between YBCC cathode and SDC electrolyte, and YBCC and La0.9Sr0.1Ga0.8Mg0.2O3-δ (LSGM) occur. The thermal expansion coefficient (TEC) of YBCC cathode decreases with SDC addition. The TEC of YBCC–30SDC cathode is 13.60×10–6 K-1 from 30 to 850 °C in air and it exhibits the best electrochemical performance among the YBCC–xSDC cathodes. The polarization resistance (Rp) of YBCC–30SDC is 0.027 Ω cm2 at 850 °C, 0.044 Ω cm2 at 800 °Cmore » and 0.075 Ω cm2 at 750 °C. The maximum power density value of electrolyte-based cell with YBCC–30SDC cathode is 662, 483 and 319 mW cm-2 at 850, 800 and 750 °C, respectively. Finally, preliminary results indicate that YBCC–30SDC is especially promising as a cathode for IT-SOFCs.« less

  15. PARC Periodical | Vol. 6, Issue 2 | Photosynthetic Antenna Research Center

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

    Vol. 6, Issue 2 December 1, 2014 PARC Periodical | Vol. 6, Issue 2 View Periodical Here

  16. TableHC2.4.xls

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

    81.5 72.1 7.6 N N 1.9 For Two Housing Units............................. 18.1 N N 1.4 16.7 N Heat Pump.................................................. 9.2 7.4 0.3 Q 0.7 0.5 Other Equipment......................................... 1.3 0.6 Q Q Q N Fuel Oil........................................................... 7.7 5.5 0.4 0.8 0.9 0.2 Steam or Hot Water System........................ 4.7 2.9 Q 0.7 0.8 N For One Housing Unit.............................. 3.3 2.9 Q Q Q N For Two Housing

  17. Temperature dependence of structural parameters in oxide-ion-conducting Nd{sub 9.33}(SiO{sub 4}){sub 6}O{sub 2}: single crystal X-ray studies from 295 to 900K

    SciTech Connect (OSTI)

    Okudera, Hiroki . E-mail: h.okudera@fkf.mpg.de; Yoshiasa, Akira; Masubuchi, Yuuji; Higuchi, Mikio; Kikkawa, Shinichi

    2004-12-01

    Crystallographic space group, structural parameters and their thermal changes in oxide-ion-conducting Nd{sub 9.33}(SiO{sub 4}){sub 6}O{sub 2} were investigated using high-temperature single-crystal X-ray diffraction experiments in the temperature range of 295=6{sub 3}/m), and no notable structural change occurred over the temperature range examined. Observed anisotropy in thermal motions of oxide ions which belong to SiO{sub 4} tetrahedron indicated high rigidity of the tetrahedron in the structure, indicating that they form sp3 hybrid orbitals and the ligand oxygens do not take part in oxide-ion conductivity. Virtually full occupation of the 6h Nd site and highly anisotropic displacements of oxide ion inside the hexagonal channel were maintained over the temperature range examined. This result confirms that oxide-ion transport inside the hexagonal channel is the dominant process of conduction in the title compound.

  18. Solicitations (Issue 214) 1/6 9/4/11

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

    4) 1/6 9/4/11 laurie.e.brown@comcast.net Solicitations (Issue 214) 9/4/2011 Greetings Subscribers - Here is Issue 214: Feel free to pass this newsletter on to colleagues that may be interested. If anyone you know would like to sign up to receive these funding newsletters, follow the subscription instructions at the bottom of the email message this document was attached to, or send a subscription request to laurie.e.brown@comcast.net. If you stop receiving these newsletters every ~ 4 weeks, your

  19. Thermodynamic data of Ba{sub 0.6}Sr{sub 0.4}Co{sub 0.8}Fe{sub 0.2}O{sub 3−δ} SOFC cathode material

    SciTech Connect (OSTI)

    Botea-Petcu, A.; Tanasescu, S.; Varazashvili, V.; Lejava, N.; Machaladze, T.; Khundadze, M.; Maxim, F.; Teodorescu, F.; Martynczuk, J.; Yáng, Z.; Gauckler, L.J.

    2014-09-15

    Graphical abstract: Partial molar energy of oxygen dissolution (ΔG{sup −}{sub O{sub 2}}) and equilibrium partial pressure of oxygen (log⁡p{sub O{sub 2}}) of perovskite material with the composition Ba{sub 0.6}Sr{sub 0.4}Co{sub 0.8}Fe{sub 0.2}O{sub 3−δ} as a function of temperature. - Highlights: • We report relevant data for thermodynamic stability of Ba{sub 0.6}Sr{sub 0.4}Co{sub 0.8}Fe{sub 0.2}O{sub 3−δ} perovskite compound. • Temperature of structural transformations related to the charge compensation of the material system is evidenced. • The results are discussed based on the properties-defect structure relationship. - Abstract: The compound Ba{sub 0.6}Sr{sub 0.4}Co{sub 0.8}Fe{sub 0.2}O{sub 3−δ} with perovskite structure has been studied focusing mainly on the thermodynamic stability in correlation to the change in the oxygen stoichiometry. The thermochemical behavior has been investigated from room temperature to 1300 K by thermal gravimetry and differential thermal analysis in air and by calorimetry in scanning mode in Argon. The temperature dependence of enthalpy (ΔH{sup T}{sub 298}) in the temperature range of 300–900 K was measured by drop calorimetry. Thermodynamic properties represented by the relative partial molar free energies, enthalpies and entropies of oxygen dissolution in the perovskite phase, as well as the equilibrium partial pressures of oxygen have been obtained in the temperature range of 823–1273 K using solid electrolyte electrochemical cells (EMF). The influence of the oxygen stoichiometry on the thermodynamic properties was examined using a coulometric titration technique coupled with EMF measurements. The results are discussed based on the strong correlation between the energetic parameters and the charge compensation of the material system.

  20. Zr{sub 9}Co{sub 2}P{sub 4} and Zr{sub 9}Ni{sub 2}P{sub 4}: A new 3D structure type, consisting of edge- and vertex-condensed Zr{sub 6} octahedra

    SciTech Connect (OSTI)

    Kleinke, H.; Franzen, H.F.

    1996-08-28

    The isostructural title compounds were synthesized by arc-melting of stoichiometric ratios of ZrP, Zr, and Co and Ni, respectively, and subsequent annealing at 1450 {degrees}C. Their crystal structure (space group P4/mbm; Zr{sub 9-}Co{sub 2}P{sub 4}, a = 532.23(5) {angstrom}{sup 3}, Z = 2) is derived from a three-dimensional network of Zr{sub 6} octahedra. These octahedra are connected via common vertices to form chains parallel to the c axis and via common edges and vertices in the ab plane, resulting in one double chain and one single chain. Both kinds of the interstitial atoms, the iron-group-metal atom and the phosphorus, are situated in trigonal prismatic holes between these chains, forming short M-P and M-M{prime} bonds. These octahedra can be described as being of the M{sub 6}X{sub 8} cluster type as is also observed in the chalcogenide Chevrel phases. Due to the electronically nonsaturated character of the Zr octahedra and their three-dimensional connectivity, three-dimensional metallic properties are expected for both phosphides, and metallic behavior is confirmed by the observation of Pauli paramagnetism for both compounds.

  1. New insights in the polarization resistance of anode-supported solid oxide fuel cells with La0.6Sr0.4Co0.2Fe0.8O3 cathodes

    SciTech Connect (OSTI)

    Lu, Zigui; Hardy, John S.; Templeton, Jared W.; Stevenson, Jeffry W.

    2011-01-01

    In this study, the polarization resistance of the La0.6Sr0.4Co0.2Fe0.8O3 (LSCF) solid oxide fuel cell (SOFC) cathode was investigated by I-V sweep and electrochemcial impedance spectroscopy under a series of dc bias voltages and cathode environments (i.e. stagnant air, flowing air, and flowing oxygen) at temperatures from 550 to 750 C. In flowing oxygen, the polarization resistance of the fuel cell decreased considerably with the applied current density. A linear relationship was observed between the ohmic-free over-potential and the logarithm of the current density of the fuel cell at all the measuring temperatures. In stagnant or flowing air, a new arc related to the molecular oxygen diffusion in the pores of the cathode was identified at high temperatures and high current densities. The magnitude of this arc increased with the applied current density due to the decreased oxygen partial pressure at the interface of the cathode and the electrolyte. It is found that the performance of the fuel cell in air is mainly determined by the oxygen diffusion process. Elimination of this process by flowing oxygen to the cathode improved the cell performance significantly. At 750 C, for a fuel cell with a laser-deposited Sm0.2Ce0.8O1.9 (SDC) interlayer, an extraordinarily high power density of 2.6 W cm-2 at 0.7 V was achieved in flowing oxygen, as a result of reduced ohmic and polarization resistance of the fuel cell, which were 0.06 ? cm2 and 0.03 ? cm2, respectively. The results indicate that optimization of the microstructure of the LSCF cathode or adoption of a new cell design which can mitigate the diffusion problem in the cathode might enhance cell performance significantly.

  2. Buildings Energy Data Book: 2.4 Residential Environmental Data

    Buildings Energy Data Book [EERE]

    5 2025 Residential 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 Space Heating (4) 173.9 27.9 15.2 1.6 44.7 0.6 73.2 292.3 25.1% Space Cooling 0.0 177.2 177.2 15.2% Water Heating 70.2 3.5 2.5 6.0 83.7 159.9 13.8% Lighting 74.1 74.1 6.4% Refrigeration (5) 75.8 75.8 6.5% Electronics (6) 58.7 58.7 5.1% Wet Cleaning (7) 3.3 47.9 51.2 4.4% Cooking 11.7 1.6 1.6

  3. A novel technique for measurement of thermal rate constants and temperature dependences of dissociative recombination: CO{sub 2}{sup +}, CF{sub 3}{sup +}, N{sub 2}O{sup +}, C{sub 7}H{sub 8}{sup +}, C{sub 7}H{sub 7}{sup +}, C{sub 6}H{sub 6}{sup +}, C{sub 6}H{sub 5}{sup +}, C{sub 5}H{sub 6}{sup +}, C{sub 4}H{sub 4}{sup +}, and C{sub 3}H{sub 3}{sup +}

    SciTech Connect (OSTI)

    Fournier, Joseph A.; Shuman, Nicholas S.; Melko, Joshua J.; Ard, Shaun G.; Viggiano, Albert A.

    2013-04-21

    A novel technique using a flowing afterglow-Langmuir probe apparatus for measurement of temperature dependences of rate constants for dissociative recombination (DR) is presented. Low ({approx}10{sup 11} cm{sup -3}) concentrations of a neutral precursor are added to a noble gas/electron afterglow plasma thermalized at 300-500 K. Charge exchange yields one or many cation species, each of which may undergo DR. Relative ion concentrations are monitored at a fixed reaction time while the initial plasma density is varied between 10{sup 9} and 10{sup 10} cm{sup -3}. Modeling of the decrease in concentration of each cation relative to the non-recombining noble gas cation yields the rate constant for DR. The technique is applied to several species (O{sub 2}{sup +}, CO{sub 2}{sup +}, CF{sub 3}{sup +}, N{sub 2}O{sup +}) with previously determined 300 K values, showing excellent agreement. The measurements of those species are extended to 500 K, with good agreement to literature values where they exist. Measurements are also made for a range of C{sub n}H{sub m}{sup +} (C{sub 7}H{sub 7}{sup +}, C{sub 7}H{sub 8}{sup +}, C{sub 5}H{sub 6}{sup +}, C{sub 4}H{sub 4}{sup +}, C{sub 6}H{sub 5}{sup +}, C{sub 3}H{sub 3}{sup +}, and C{sub 6}H{sub 6}{sup +}) derived from benzene and toluene neutral precursors. C{sub n}H{sub m}{sup +} DR rate constants vary from 8-12 Multiplication-Sign 10{sup -7} cm{sup 3} s{sup -1} at 300 K with temperature dependences of approximately T{sup -0.7}. Where prior measurements exist these results are in agreement, with the exception of C{sub 3}H{sub 3}{sup +} where the present results disagree with a previously reported flat temperature dependence.

  4. Beamline 4.0.2

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

    4.0.2 Beamline 4.0.2 Print Tuesday, 20 October 2009 08:27 Magnetic Spectroscopy and Scattering Scientific disciplines: Magnetism, materials science Endstations: Eight-pole electromagnet Scattering Chamber 9T magnet GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 100-2000 eV Monochromator Variable-included-angle PGM Calculated flux (1.9 GeV, 400 mA) 1 x 1013 photons/s/0.1%BW at 800 eV [Value reported is the

  5. Itinerant ferromagnetism in the As 4p conduction band of Ba0.6K0.4Mn2As2 identified by x-ray magnetic circular dichroism

    SciTech Connect (OSTI)

    Ueland, B. G.; Pandey, Abhishek; Lee, Y.; Sapkota, A.; Choi, Y.; Haskel, D.; Rosenberg, R. A.; Lang, J. C.; Harmon, B. N.; Johnston, D. C.; Kreyssig, A.; Goldman, A. I.

    2015-05-27

    In this study, x-ray magnetic circular dichroism (XMCD) measurements on single-crystal and powder samples of Ba0.6K0.4Mn2As2 show that the ferromagnetism below TC ≈ 100 K arises in the As 4p conduction band. No XMCD signal is observed at the Mn x-ray absorption edges. Below TC, however, a clear XMCD signal is found at the As K edge which increases with decreasing temperature. The XMCD signal is absent in data taken with the beam directed parallel to the crystallographic c axis indicating that the orbital magnetic moment lies in the basal plane of the tetragonal lattice. These results show that the previously reported itinerant ferromagnetism is associated with the As 4p conduction band and that distinct local-moment antiferromagnetism and itinerant ferromagnetism with perpendicular easy axes coexist in this compound at low temperature.

  6. Quantification of corrosion resistance of a new-class of criticality control materials: thermal-spray coatings of high-boron iron-based amorphous metals - Fe49.7Cr17.7Mn1.9Mo7.4W1.6B15.2C3.8Si2.4

    SciTech Connect (OSTI)

    Farmer, J C; Choi, J S; Shaw, C K; Rebak, R; Day, S D; Lian, T; Hailey, P; Payer, J H; Branagan, D J; Aprigliano, L F

    2007-03-28

    An iron-based amorphous metal, Fe{sub 49.7}Cr{sub 17.7}Mn{sub 1.9}Mo{sub 7.4}W{sub 1.6}B{sub 15.2}C{sub 3.8}Si{sub 2.4} (SAM2X5), with very good corrosion resistance was developed. This material was produced as a melt-spun ribbon, as well as gas atomized powder and a thermal-spray coating. Chromium (Cr), molybdenum (Mo) and tungsten (W) provided corrosion resistance, and boron (B) enabled glass formation. The high boron content of this particular amorphous metal made it an effective neutron absorber, and suitable for criticality control applications. Earlier studies have shown that ingots and melt-spun ribbons of these materials have good passive film stability in these environments. Thermal spray coatings of these materials have now been produced, and have undergone a variety of corrosion testing, including both atmospheric and long-term immersion testing. The modes and rates of corrosion have been determined in the various environments, and are reported here.

  7. From the ternary Eu(Au/In)2 and EuAu4(Au/In)2 with remarkable Au/In distributions to a new structure type: The gold-rich Eu5Au16(Au/In)6 structure

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

    Steinberg, Simon; Card, Nathan; Mudring, Anja -Verena

    2015-08-13

    The ternary Eu(Au/In)2 (EuAu0.46In1.54(2)) (I), EuAu4(Au/In)2 (EuAu4+xIn2–x with x = 0.75(2) (II), 0.93(2), and 1.03(2)), and Eu5Au16(Au/In)6 (Eu5Au17.29In4.71(3)) (III) have been synthesized, and their structures were characterized by single-crystal X-ray diffraction. I and II crystallize with the CeCu2-type (Pearson Symbol oI12; Imma; Z = 4; a = 4.9018(4) Å; b = 7.8237(5) Å; c = 8.4457(5) Å) and the YbAl4Mo2-type (tI14; I4/mmm; Z = 2; a = 7.1612(7) Å; c = 5.5268(7) Å) and exhibit significant Au/In disorder. I is composed of an Au/In-mixed diamond-related host lattice encapsulating Eu atoms, while the structure of II features ribbons of distorted, squaredmore » Au8 prisms enclosing Eu, Au, and In atoms. Combination of these structural motifs leads to a new structure type as observed for Eu5Au16(Au/In)6 (Eu5Au17.29In4.71(3)) (oS108; Cmcm; Z = 4; a = 7.2283(4) Å; b = 9.0499(6) Å; c = 34.619(2) Å), which formally represents a one-dimensional intergrowth of the series EuAu2–“EuAu4In2”. The site preferences of the disordered Au/In positions in II were investigated for different hypothetical “EuAu4(Au/In)2” models using the projector-augmented wave method and indicate that these structures attempt to optimize the frequencies of the heteroatomic Au–In contacts. Furthermore, a chemical bonding analysis on two “EuAu5In” and “EuAu4In2” models employed the TB-LMTO-ASA method and reveals that the subtle interplay between the local atomic environments and the bond energies determines the structural and site preferences for these systems.« less

  8. Cobalt-iron red-ox behavior in nanostructured La{sub 0.4}Sr{sub 0.6}Co{sub 0.8}Fe{sub 0.2}O{sub 3-{delta}} cathodes

    SciTech Connect (OSTI)

    Soldati, Analia L.; Baque, Laura; Napolitano, Federico; Serquis, Adriana

    2013-02-15

    Nano-sized La{sub 0.4}Sr{sub 0.6}Co{sub 0.8}Fe{sub 0.2}O{sub 3-{delta}} (LSCF) perovskite samples (prepared by a conventional acetate route and a novel acetate synthesis with HMTA additives), were tested simulating a red-ox cycle. The crystallography was studied by X-ray Powder Diffraction (XPD) and the changes in the oxidation state of the perovskite B-site were evaluated by synchrotron X-ray Absorption Near Edge Spectroscopy (XANES). After a reducing treatment, LSFC particles show the appearance of a new phase that coexists with the original one. The structural change is accompanied by a Co and Fe formal oxidation states decrease, although Fe remains always closer to 4+ and Co closer to 3+. The treatment produces a B-site valence average reduction from 3.52+ to 3.26+ and the formation of oxygen vacancies. A re-oxidation treatment under O{sub 2} rich atmosphere at 800 Degree-Sign C for 10 h shows that the change is reversible and independent of the two chemical methods used to synthesize the LSCF nano-particles. - Graphical abstract: XANES and XPD measurements in nanostructured LSCF before (black) and after (red/green) a red/ox cycle. Highlights: Black-Right-Pointing-Pointer Red-ox treatments in LSCF nano-particles cause a reversible reaction. Black-Right-Pointing-Pointer XPD analyses show that a new 'reduced' phase coexist with the oxidize one. Black-Right-Pointing-Pointer The B-site formal oxidation state decreases and the {delta} increases upon reduction. Black-Right-Pointing-Pointer Fe remains in a higher valence (closer to 4+) than Co (close to 3+). Black-Right-Pointing-Pointer The behavior seems to be independent of the synthesis method used.

  9. MULTI-WAVELENGTH STUDY OF A COMPLETE IRAC 3.6 {mu}m SELECTED GALAXY SAMPLE: A FAIR CENSUS OF RED AND BLUE POPULATIONS AT REDSHIFTS 0.4-1.2

    SciTech Connect (OSTI)

    Huang, J.-S.; Faber, S. M.; Koo, D.; Rigopoulou, D.; Magdis, G.; Newman, J.; Shu, C.; Luo, Z.; Ashby, M. L. N.; Wang, T.; Willner, S. P.; Fazio, G. G.; Barmby, P.; Coil, A.; Zheng, X. Z.

    2013-03-20

    We present a multi-wavelength study of a 3.6 {mu}m selected galaxy sample in the Extended Groth Strip (EGS). The sample is complete for galaxies with stellar mass >10{sup 9.5} M{sub Sun} and redshift 0.4 < z < 1.2. In this redshift range, the Infrared Array Camera 3.6 {mu}m band measures the rest-frame near-infrared band, permitting nearly unbiased selection with respect to both quiescent and star-forming galaxies. The numerous spectroscopic redshifts available in the EGS are used to train an artificial neural network to estimate photometric redshifts. The distribution of photometric redshift errors is Gaussian with standard deviation {approx}0.025(1 + z), and the fraction of redshift failures (>3{sigma} errors) is about 3.5%. A new method of validation based on pair statistics confirms the estimate of standard deviation even for galaxies lacking spectroscopic redshifts. Basic galaxy properties measured include rest-frame U - B colors, B- and K-band absolute magnitudes, and stellar masses. We divide the sample into quiescent and star-forming galaxies according to their rest-frame U - B colors and 24-3.6 {mu}m flux density ratios and derive rest K-band luminosity functions and stellar mass functions for quiescent, star-forming, and all galaxies. The results show that massive, quiescent galaxies were in place by z Almost-Equal-To 1, but lower mass galaxies generally ceased their star formation at later epochs.

  10. Correlation between upconversion photoluminescence and dielectric response in Ba-substituted (Sr{sub 1?x}Ba{sub x}){sub 4}(La{sub 0.85}Ho{sub 0.025}Yb{sub 0.125}){sub 2}Ti{sub 4}Nb{sub 6}O{sub 30}

    SciTech Connect (OSTI)

    Wei, T.; Wang, X. D.; Zhao, C. Z.; Liu, M. F.; Liu, J. M.

    2014-06-30

    The filled tetragonal tungsten bronze (Sr{sub 1?x}Ba{sub x}){sub 4}(La{sub 0.85}Ho{sub 0.025}Yb{sub 0.125}){sub 2}Ti{sub 4}Nb{sub 6}O{sub 30} (SBLTNx: Ho-Yb) ceramics with different Ba substitution levels (x) are prepared. The upconversion photoluminescence (UC-PL) and dielectric permittivity are investigated. The substitution of Sr{sup 2+} ions at the A{sub 2}-sites by larger Ba{sup 2+} ions results in substantial variation of the UC-PL intensity as a function of substitution level x. Furthermore, the dielectric response to the substitution of Sr{sup 2+} by Ba{sup 2+} suggests a close correlation between the UC-PL intensity and dielectric permittivity. The origin for this correlation is discussed based on the random stress field (RSF) model.

  11. CsBi4Te6: A High-Performance Thermoelectric Material for Low...

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

    thermoelectric properties of CsBi(4)Te(6) appear to match or exceed those of Bi(2-x)Sb(x)Te(3-y)Se(y) alloys. URL: Link to article - National Center for Biotechnology Information

  12. Shock initiation of 2,4-dinitroimidazole (2,4-DNI)

    SciTech Connect (OSTI)

    Urtiew, P.A.; Tarver, C.M.; Simpson, R.L.

    1995-07-19

    The shock sensitivity of the pressed solid explosive 2,4-dinitroimidazole (2,4-DNI) was determined using the embedded manganin pressure gauge technique. At an initial shock pressure of 2 GPa, several microseconds were required before any exothermic reaction was observed. At 4 GPa, 2,4-DNI reacted more rapidly but did not transition to detonation at the 12 mm deep gauge position. At 6 GPa, detonation occurred in less than 6 mm of shock propagation. Thus, 2,4-DNI is more shock sensitive than TATB-based explosives but is considerably less shock sensitive than HMX-based explosives. An Ignition and Growth reactive flow model for 2,4-DNI based on these gauge records showed that 2,4-DNI exhibits shock initiation characteristics similar to TATB but reacts faster. The chemical structure of 2,4-DNI suggests that it may exhibit thermal decomposition reactions similar to nitroguanine and explosives with similar ring structures, such as ANTA and NTO.

  13. DOE Exhibit D 2-6-06.doc

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

    6 / 06 2 Sun Mon Tue Wed Thu Fri Sat 1 Units # 1 & 4 on, with trona 2 3 4 Unit # 4 off for boiler leak 5 Units # 1 on, with trona Another base load unit will be added with trona as soon as repairs are made and model results completed 6 . 7 8 9 10 11 12 Unit #3 or 4 or, #5 on Units #1 & base unit on, with trona 13 14 15 16 17 18 19 Units # 1 & base unit on, with trona 20 21 22 23 24 25 26 Units # 1, & base unit on, with trona 27 28 Multi unit operation will be at all times in

  14. Table 4.6 Crude Oil and Natural Gas Exploratory Wells, 1949-2010

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

    6 Crude Oil and Natural Gas Exploratory Wells, 1949-2010 Year Wells Drilled Successful Wells Footage Drilled 1 Average Footage Drilled Crude Oil 2 Natural Gas 3 Dry Holes 4 Total Crude Oil 2 Natural Gas 3 Dry Holes 4 Total Crude Oil 2 Natural Gas 3 Dry Holes 4 Total Number Percent Thousand Feet Feet per Well 1949 1,406 424 7,228 9,058 20.2 5,950 2,409 26,439 34,798 4,232 5,682 3,658 3,842 1950 1,583 431 8,292 10,306 19.5 6,862 2,356 30,957 40,175 4,335 5,466 3,733 3,898 1951 1,763 454 9,539

  15. Beamline 4.0.2

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

    Beamline 4.0.2 Print Magnetic Spectroscopy and Scattering Scientific disciplines: Magnetism, materials science Endstations: Eight-pole electromagnet Scattering Chamber 9T magnet GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 100-2000 eV Monochromator Variable-included-angle PGM Calculated flux (1.9 GeV, 400 mA) 1 x 1013 photons/s/0.1%BW at 800 eV [Value reported is the merit function, flux = total flux x

  16. Beamline 4.0.2

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

    Beamline 4.0.2 Print Magnetic Spectroscopy and Scattering Scientific disciplines: Magnetism, materials science Endstations: Eight-pole electromagnet Scattering Chamber 9T magnet GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 100-2000 eV Monochromator Variable-included-angle PGM Calculated flux (1.9 GeV, 400 mA) 1 x 1013 photons/s/0.1%BW at 800 eV [Value reported is the merit function, flux = total flux x

  17. Beamline 4.0.2

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

    Beamline 4.0.2 Print Magnetic Spectroscopy and Scattering Scientific disciplines: Magnetism, materials science Endstations: Eight-pole electromagnet Scattering Chamber 9T magnet GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 100-2000 eV Monochromator Variable-included-angle PGM Calculated flux (1.9 GeV, 400 mA) 1 x 1013 photons/s/0.1%BW at 800 eV [Value reported is the merit function, flux = total flux x

  18. Synthesis and structural characterization of Al{sub 4}Si{sub 2}C{sub 5}-homeotypic aluminum silicon oxycarbide, (Al{sub 6-x}Si{sub x})(O{sub y}C{sub 5-y}) (x{approx}0.8 and y{approx}1.6)

    SciTech Connect (OSTI)

    Kaga, Motoaki; Urushihara, Daisuke; Iwata, Tomoyuki; Sugiura, Keita [Department of Environmental and Materials Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Nakano, Hiromi [Cooperative Research Facility Center, Toyohashi University of Technology, Toyohashi 441-8580 (Japan); Fukuda, Koichiro, E-mail: fukuda.koichiro@nitech.ac.j [Department of Environmental and Materials Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan)

    2010-09-15

    We have prepared a new layered oxycarbide, [Al{sub 5.25(5)}Si{sub 0.75(5)}][O{sub 1.60(7)}C{sub 3.40(7)}], by isothermal heating of (Al{sub 4.4}Si{sub 0.6})(O{sub 1.0}C{sub 3.0}) at 2273 K near the carbon-carbon monoxide buffer. The crystal structure was characterized using X-ray powder diffraction, transmission electron microscopy and energy dispersive X-ray spectroscopy (EDX). The title compound is trigonal with space group R3m (centrosymmetric), Z=3, and hexagonal cell dimensions a=0.32464(2) nm, c=4.00527(14) nm and V=0.36556(3) nm{sup 3}. The atom ratios Al:Si were determined by EDX, and the initial structural model was derived by the direct methods. The final structural model showed the positional disordering of one of the three types of Al/Si sites. The reliability indices were R{sub wp}=4.45% (S=1.30), R{sub p}=3.48%, R{sub B}=2.27% and R{sub F}=1.25%. The crystal is composed of three types of domains with nearly the same fraction, one of which has the crystal structure of space group R3-bar m. The crystal structure of the remaining two domains, which are related by pseudo-symmetry inversion, is noncentrosymmetric with space group R3m. - Graphical Abstract: A new aluminum silicon oxycarbide, (Al{sub 6-x}Si{sub x})(O{sub y}C{sub 5-y}) (x{approx}0.8 and y{approx}1.6). The crystal is composed of three types of domains (I, II and III), and hence the structure is represented by a split-atom model. Individual crystal structures can be regarded as layered structures, which consist of A-type [(Al,Si){sub 4}(O,C){sub 4}] unit layers and B-type [(Al,Si)(O,C){sub 2}] single layers.

  19. Buildings Energy Data Book: 2.4 Residential Environmental Data

    Buildings Energy Data Book [EERE]

    3 2010 Residential 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 Space Heating (4) 185.5 38.8 18.7 2.2 59.7 0.7 77.6 323.5 26.3% Space Cooling 0.0 210.2 210.2 17.1% Water Heating 68.7 7.1 4.6 11.7 90.4 170.8 13.9% Lighting 126.0 126.0 10.2% Electronics (5) 96.5 96.5 7.8% Refrigeration (6) 80.7 80.7 6.6% Wet Cleaning (7) 2.9 57.8 60.8 4.9% Cooking 11.4 1.9

  20. Energy Department Awards $4.6 Million to Advance Hydrogen Storage Systems |

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

    Department of Energy 4.6 Million to Advance Hydrogen Storage Systems Energy Department Awards $4.6 Million to Advance Hydrogen Storage Systems April 8, 2015 - 2:54pm Addthis The Energy Department today announced up to $4.6 million for four projects to develop advanced hydrogen storage materials that have potential to enable longer driving ranges and help make fuel cell systems competitive for different platforms and sizes of vehicles. Advanced hydrogen storage systems will be critical to the

  1. Synthesis of 6-Methyl-9-propyldibenzothiophene-4-ol amended to 9-isopropyl-6-methyldibenzothiophene-4-ol. Final technical report, July 25, 1991--January 25, 1993

    SciTech Connect (OSTI)

    Eisenbraun, E.J.

    1992-02-17

    This is a draft final technical report on Task 1 of a contract to synthesize 6-Methyl-9-propyldibenzothiophene-4-ol, as amended to 9- isopropyl-6-methyldibenzothiophene-4-ol. This report is a compilation of data presented in earlier reports. The first annual report dealt with an attempted synthesis of 4-methoxy-6-methyl-9- propyldibenzothiophene (the original target compound), the successful synthesis and delivery of 200 grams of the sulfide 1,4-diethyl-2- [(2{prime}-methoxyphenyl)-thio]benzene, and initial work on a new synthesis route for the preparation of the new target compound 9- isopropyl-6-methyldibenzothiophene-4-ol. The change to the new target compound and the new synthesis route became necessary when it was learned that the sulfide mixture could not be cyclized to the substituted dibenzothiophene mixture. The second annual report described the successful preparation of 45 g of the new target compound using the new synthesis route. Subsequently funds were provided to synthesize an additional 45 g of the new target using the same reaction scheme. This task was recently completed.

  2. Buildings Energy Data Book: 2.4 Residential Environmental Data

    Buildings Energy Data Book [EERE]

    4 2015 Residential 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 Space Heating (4) 180.5 34.9 16.6 1.8 53.3 0.6 66.6 301.0 27.4% Space Cooling 0.0 161.1 161.1 14.7% Water Heating 69.6 5.1 3.1 8.2 75.3 153.1 13.9% Lighting 83.7 83.7 7.6% Refrigeration (5) 71.7 71.7 6.5% Electronics (6) 52.0 52.0 4.7% Wet Cleaning (7) 3.2 51.6 54.7 5.0% Cooking 11.5 1.8 1.8

  3. AMO Weekly Announcements 6/2 | Department of Energy

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

    AMO Weekly Announcements 6/2 June 2, 2016 - 4:26pm Addthis AMO Partner Argonne Launches First Tech Incubator The U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE) and Argonne National Laboratory announced last week a new innovation accelerator program for science and energy entrepreneurs called Chain Reaction Innovations (CRI). To help entrepreneurs bridge the commercialization valley of death CRI will support cutting-edge innovators to work on early-stage

  4. PI Brief 6 15 07 final2 | Department of Energy

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

    PI Brief 6 15 07 final2&0; PI Brief 6 15 07 final2&0; PDF icon PI Brief 6 15 07 final2&0; More Documents & Publications POLICY FLASH 2016-04 Procurement Integrity ...

  5. Preparation of 4-amino-2,4-dioxobutanoic acid

    DOE Patents [OSTI]

    Unkefer, Pat J.; Martinez, Rodolfo A.; Glass, David R.

    2016-03-22

    A process for synthesizing 4-amino-2,4-dioxobutanoate involves reacting a dialkyl oxalate with an alkoxide in ethanol to form a reaction mixture, and afterward adding an alkyl cyano acetate to the reaction mixture and allowing a reaction to proceed under conditions suitable to form a first reaction product of the formula diethyl 2-cyano-3-hydroxy-butenedioate, and then isolating the diethyl 2-cyano-3-hydroxy-butenedioate, and afterward reacting the diethyl-2-cyano-3-hydroxy-butenedioate with an aqueous hydroxide under conditions suitable to form 4-amino-2,4-dioxobutanoate. The 4-amino-2,4-dioxobutanoate may be acidified into 4-amino-2,4-dioxobutanoic acid.

  6. Modernization Enhancements in SCALE 6.2

    SciTech Connect (OSTI)

    Rearden, Bradley T; Lefebvre, Robert A; Lefebvre, Jordan P; Clarno, Kevin T; Williams, Mark L; Petrie Jr, Lester M; Mertyurek, Ugur

    2014-01-01

    SCALE is a widely used suite of tools for nuclear systems modeling and simulation that provides comprehensive, verified and validated, user-friendly capabilities for criticality safety, reactor physics, radiation shielding, and sensitivity and uncertainty analysis. For more than 30 years, regulators, industry, and research institutions around the world have used SCALE for nuclear safety analysis and design. However, the underlying architecture of SCALE is based on a 40-year old design with dozens of independent functional modules and control programs, primarily implemented in the Fortran programming language, with extensive use of customized intermediate files to control the logical flow of the analysis. Data are passed between individual computational codes using custom binary files that are read from and written to the hard disk. The SCALE modernization plan provides a progression towards SCALE 7, which will provide an object-oriented parallel-enabled software infrastructure with state-of-the-art methods implemented as reusable components. This paper provides a brief overview of the goals of SCALE modernization and details some modernized features available with SCALE 6.2.

  7. From the ternary Eu(Au/In)2 and EuAu4(Au/In)2 with remarkable Au/In distributions to a new structure type: The gold-rich Eu5Au16(Au/In)6 structure

    SciTech Connect (OSTI)

    Steinberg, Simon; Card, Nathan; Mudring, Anja -Verena

    2015-08-13

    The ternary Eu(Au/In)2 (EuAu0.46In1.54(2)) (I), EuAu4(Au/In)2 (EuAu4+xIn2–x with x = 0.75(2) (II), 0.93(2), and 1.03(2)), and Eu5Au16(Au/In)6 (Eu5Au17.29In4.71(3)) (III) have been synthesized, and their structures were characterized by single-crystal X-ray diffraction. I and II crystallize with the CeCu2-type (Pearson Symbol oI12; Imma; Z = 4; a = 4.9018(4) Å; b = 7.8237(5) Å; c = 8.4457(5) Å) and the YbAl4Mo2-type (tI14; I4/mmm; Z = 2; a = 7.1612(7) Å; c = 5.5268(7) Å) and exhibit significant Au/In disorder. I is composed of an Au/In-mixed diamond-related host lattice encapsulating Eu atoms, while the structure of II features ribbons of distorted, squared Au8 prisms enclosing Eu, Au, and In atoms. Combination of these structural motifs leads to a new structure type as observed for Eu5Au16(Au/In)6 (Eu5Au17.29In4.71(3)) (oS108; Cmcm; Z = 4; a = 7.2283(4) Å; b = 9.0499(6) Å; c = 34.619(2) Å), which formally represents a one-dimensional intergrowth of the series EuAu2–“EuAu4In2”. The site preferences of the disordered Au/In positions in II were investigated for different hypothetical “EuAu4(Au/In)2” models using the projector-augmented wave method and indicate that these structures attempt to optimize the frequencies of the heteroatomic Au–In contacts. Furthermore, a chemical bonding analysis on two “EuAu5In” and “EuAu4In2” models employed the TB-LMTO-ASA method and reveals that the subtle interplay between the local atomic environments and the bond energies determines the structural and site preferences for these systems.

  8. Preparation of 4-amino-2,4-dioxobutanoic acid

    DOE Patents [OSTI]

    Unkefer, Pat J.; Martinez, Rodolfo A.; Glass, David R.

    2015-06-02

    A process for synthesizing 4-amino-2,4-dioxobutanoic acid involves reacting diethyl oxalate with sodium ethoxide in ethanol to form a reaction mixture, and afterward adding ethyl cyanoacetate to the reaction mixture and allowing a reaction to proceed under conditions suitable to form a first reaction product of the formula diethyl-2-cyano-3-hydroxy-butenedioate, and then isolating the diethyl-2-cyano-3-hydroxybutenedioate, and afterward reacting the diethyl-2-cyano-3-hydroxy-butenedioate with aqueous sodium hydroxide under conditions suitable to form 4-amino-2,4-dioxobutanoic acid.

  9. Preparation of 4-amino-2,4-dioxobutanoic acid

    DOE Patents [OSTI]

    Unkefer, Pat J.; Martinez, Rodolfo A.; Glass, David R.

    2016-03-22

    A process for synthesizing 4-amino-2,4-dioxobutanoic acid involves reacting diethyl oxalate with an alkoxide in ethanol to form a reaction mixture, and afterward adding ethyl cyanoacetate to the reaction mixture and allowing a reaction to proceed under conditions suitable to form a first reaction product of the formula diethyl 2-cyano-3-hydroxy-butenedioate, and then isolating the diethyl 2-cyano-3-hydroxy-butenedioate, and afterward reacting the diethyl-2-cyano-3-hydroxy-butenedioate with an aqueous hydroxide under conditions suitable to form 4-amino-2,4-dioxobutanoic acid.

  10. RSE Table E6.1 and E6.2. Relative Standard Errors for Tables E6.1 and E6.2

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

    E6.1 and E6.2. Relative Standard Errors for Tables E6.1 and E6.2;" " Unit: Percents." " "," ",," ","Distillate"," "," ",," " " ",,,,"Fuel Oil",,,"Coal" " "," ","Net","Residual","and",,"LPG and","(excluding Coal"," " "End Use","Total","Electricity(a)","Fuel

  11. Temperature- and frequency-dependent dielectric properties of organic–inorganic hybrid compound: (C{sub 6}H{sub 9}N{sub 2}){sub 2}(Hg{sub 0.75}Cd{sub 0.25})Cl{sub 4}

    SciTech Connect (OSTI)

    Elwej, R. Hamdi, M.; Hannachi, N.; Hlel, F.

    2015-02-15

    Highlights: • We have synthesized a new hybrid compound of composition (C6H9N2)2(Hg0.75Cd0.25)Cl4. • The Ac conductivity of the title material was studied as a function of frequency and temperature. • The dielectric data have been analyzed in modulus formalism using KWW. - Abstract: The bis-2-amino-4-picolinium tetrachloromercurate-cadmate compound (C{sub 6}H{sub 9}N{sub 2}){sub 2}(Hg{sub 0.75}Cd{sub 0.25})Cl{sub 4} was prepared by hydrothermal method and characterized by X-ray diffraction (XRD) technique. The electrical properties of the compound were studied using impedance spectroscopy in the frequency and temperature range of 200 Hz–5 MHz and 308–403 K, respectively. The equivalent circuit is modeled by a combination of a parallel Rp//CPE circuit to explain the impedance results. The dielectric data were analyzed using complex electrical modulus M* at various temperatures. The activation energy responsible for the relaxation calculated from the modulus spectra is found to be almost the same as the value obtained from the temperature variation of dc conductivity. The electrical modulus and its scaling behavior are also investigated.

  12. Photodissociation of (SO{sub 2}?XH) Van der Waals complexes and clusters (XH = C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, C{sub 2}H{sub 6}) excited at 32?04032?090 cm{sup ?1} with formation of HSO{sub 2} and X

    SciTech Connect (OSTI)

    Makarov, Vladimir I.; Kochubei, Sergei A.; Khmelinskii, Igor

    2014-02-07

    We studied photodecomposition dynamics of (SO{sub 2}?XH) Van der Waals (VdW) complexes and clusters in gas phase, with X = C{sub 2}H, C{sub 2}H{sub 3}, and C{sub 2}H{sub 5}. SO{sub 2} was excited by frequency-doubled radiation of a tunable dye laser and resonance-enhanced multiphoton ionization was used to detect the C{sub 2}H (m/z 25), C{sub 2}H{sub 3} (m/z 27), and C{sub 2}H{sub 5} (m/z 29) ions by time-of-flight mass spectroscopy. Spectra obtained at higher nozzle pressures (P{sub 0} > 2.5 atm) indicate formation of clusters. Detailed studies of the VdW complex structure were carried out by analyzing the rotational structure of the respective action spectra. We also performed ab initio theoretical analysis of structures of the VdW complexes and transitional states leading to photodecomposition. We find that the structure of the transition state is significantly different as compared to the equilibrium ground-state structure of the respective complex. The photodecomposition mechanism depends on the hydrocarbon molecule bound to SO{sub 2}.

  13. Table HC6.4 Space Heating Characteristics by Number of Household Members, 2005

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

    4 Space Heating Characteristics by Number of Household Members, 2005 Total..................................................................... 111.1 30.0 34.8 18.4 15.9 12.0 Do Not Have Space Heating Equipment............ 1.2 0.3 0.3 Q 0.2 0.2 Have Main Space Heating Equipment............... 109.8 29.7 34.5 18.2 15.6 11.8 Use Main Space Heating Equipment................. 109.1 29.5 34.4 18.1 15.5 11.6 Have Equipment But Do Not Use It................... 0.8 Q Q Q Q Q Main Heating Fuel and

  14. LCLS-scheduling-run_6_Ver4.xlsx

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

    LCLS shutdown LCLS Approved Experiments for Run 6, June-December 2012 Instrument Prop Proposal Title Spokesperson XPP L503 Ultrafast Resonant Inelastic X-ray Scattering...

  15. Beamline 4.0.2

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

    2 Print Magnetic Spectroscopy and Scattering Scientific disciplines: Magnetism, materials science Endstations: Eight-pole electromagnet Scattering Chamber 9T magnet GENERAL...

  16. Building Technologies Program: Tax Deduction Qualified Software- TRACE 700 version 6.2.6

    Office of Energy Efficiency and Renewable Energy (EERE)

    Provides required documentation that TRACE 700 version 6.2.6 meets Internal Revenue Code §179D, Notice 2006-52, dated June 2, 2006, for calculating commercial building energy and power cost savings.

  17. Criticality safety review of 2 1/2 -, 10-, and 14-ton UF sub 6 cylinders

    SciTech Connect (OSTI)

    Broadhead, B.L.

    1991-01-01

    The US regulations governing the packaging and transportation of UF{sub 6} cylinders are contained in the publication 10CFR71. Under the current 10CFR71 regulations, packages are classified according to Fissile Class I, II, or III and a corresponding transport index (TI). UF{sub 6} cylinders designed to contain 2{1/2}-tons of UF{sub 6} are classified as Fissile Class II packages with a TI of 5 for the purpose of transportation. The 10-ton UF{sub 6} cylinders are classified as Fissile Class I with no TI assigned for transportation. The 14-ton cylinders are not certified for transport with enrichments greater than 1 wt % since they have no approved overpack. This work reviews the suitability of 2{1/2}-ton UF{sub 6} packages for reclassification as Fissile Class I with a maximum {sup 235}U enrichment of 5 wt %. Additionally, the 10- and 14-ton cylinders are reviewed to address a change in maximum {sup 235}U enrichment from 4.5 to 5 wt %. Based on this evaluation, the 2{1/2}-ton UF{sub 6} cylinders meet the 10CFR71 criteria for Fissile Class I packages, and no TI is needed for criticality safety purposes. Similarly, the 10- and 14-ton UF{sub 6} packages appear suitable for a maximum enrichment rating change to 5 wt % {sup 235}U. 6 refs., 4 figs., 1 tab.

  18. MCNP6 Cosmic & Terrestrial Background Particle Fluxes -- Release 4

    SciTech Connect (OSTI)

    McMath, Garrett E.; McKinney, Gregg W.; Wilcox, Trevor

    2015-01-23

    Essentially a set of slides, the presentation begins with the MCNP6 cosmic-source option, then continues with the MCNP6 transport model (atmospheric, terrestrial) and elevation scaling. It concludes with a few slides on results, conclusions, and suggestions for future work.

  19. Full differentiation and assignment of boron species in the electrolytes Li{sub 2}B{sub 6}O{sub 9}F{sub 2} and Li{sub 2}B{sub 3}O{sub 4}F{sub 3} by solid-state {sup 11}B NMR spectroscopy

    SciTech Connect (OSTI)

    Braeuniger, Thomas; Pilz, Thomas; Chandran, C. Vinod; Jansen, Martin

    2012-10-15

    The syntheses of two new fluorooxoborates, Li{sub 2}B{sub 3}O{sub 4}F{sub 3} and Li{sub 2}B{sub 6}O{sub 9}F{sub 2}, which possess considerable ion conductivity at higher temperatures, have been reported recently. Here, we describe the characterisation of these compounds by solid-state {sup 11}B NMR spectroscopy. The complex central-transition MAS spectra, resulting from overlap of sub-spectra contributed by the individual boron species in the crystal structures, could be clearly separated by acquisition and analysis of 3QMAS spectra. By numerical fit of these sub-spectra, the isotropic chemical shift {delta}{sub iso}, the quadrupolar coupling constant {chi}, and the asymmetry {eta} were determined. Using known relations between boron coordination and chemical shift as well as quadrupolar coupling, the individual {sup 11}B NMR resonances have been ascribed to boron species in tetrahedral or trigonal environment. To remove remaining assignment ambiguities, the response of the {sup 11}B resonances to {sup 19}F decoupling was qualitatively analysed. Thus, by using the combined information conveyed by chemical shift, quadrupolar and dipolar interaction, a complete assignment of the complex {sup 11}B line shapes exhibited by the fluorooxoborates has been achieved. - Graphical abstract: Structure and solid-state {sup 11}B NMR spectrum of Li{sub 2}B{sub 3}O{sub 4}F{sub 3}. Highlights: Black-Right-Pointing-Pointer Characterisation of title compounds by solid-state {sup 11}B NMR spectroscopy. Black-Right-Pointing-Pointer Sub-spectra of boron species separated by evaluation of 3QMAS spectra. Black-Right-Pointing-Pointer Isotropic chemical shift and quadrupolar interaction parameters determined. Black-Right-Pointing-Pointer Full boron assignment based on NMR parameters and response to {sup 19}F decoupling.

  20. Phase equilibria in the quasi-ternary system Ag{sub 2}Se–Ga{sub 2}Se{sub 3}–In{sub 2}Se{sub 3} and physical properties of (Ga{sub 0.6}In{sub 0.4}){sub 2}Se{sub 3}, (Ga{sub 0.594}In{sub 0.396}Er{sub 0.01}){sub 2}Se{sub 3} single crystals

    SciTech Connect (OSTI)

    Ivashchenko, I.A.; Danyliuk, I.V.; Olekseyuk, I.D.; Halyan, V.V.

    2014-02-15

    The quasi-ternary system Ag{sub 2}Se–Ga{sub 2}Se{sub 3}–In{sub 2}Se{sub 3} was investigated by differential thermal, X-ray phase, X-ray structure, microstructure analysis and microhardness measurements. Five quasi-binary phase diagrams, six polythermal sections, isothermal section at 820 K and the liquidus surface projection were constructed. The character and temperature of the invariant processes were determined. The specific resistance of the single crystals (Ga{sub 0.6}In{sub 0.4}){sub 2}Se{sub 3}, (Ga{sub 0.594}In{sub 0.396}Er{sub 0.01}){sub 2}Se{sub 3} was measured, 7.5×10{sup 5} and 3.15×10{sup 5} Ω m, respectively, optical absorption spectra in the 600–1050 nm range were recorded at room temperature, and the band gap energy was estimated which is 1.95±0. 01 eV for both samples. - Graphical abstract: The article reports for the first time the investigated liquidus surface projection of the Ag{sub 2}Se–Ga{sub 2}Se{sub 3}–In{sub 2}Se{sub 3} system and isothermal section at 820 K of the system. Five phase diagrams, six polythermal sections, isothermal section at 820 K and the liquidus surface projection were built at the first time. The existence of the large region of the solid solutions based on AgIn{sub 5}Se{sub 8}, Ga{sub 2}Se{sub 3} and AgGa{sub 1−x}In{sub x}Se{sub 2} was investigated. The existence of two ternary phases was established in the Ga{sub 2}Se{sub 3}–In{sub 2}Se{sub 3} system. Two single crystals (Ga{sub 0.6}In{sub 0.4}){sub 2}Se{sub 3}, (Ga{sub 0.594}In{sub 0.396}Er{sub 0.01}){sub 2}Se{sub 3} were grown and some of optical properties of them were studied at first time. Display Omitted - Highlights: • Liquidus surface projection was built for Ag{sub 2}Se–Ga{sub 2}Se{sub 3}–In{sub 2}Se{sub 3} system. • Solid solution ranges of AgIn{sub 5}Se{sub 8}, Ga{sub 2}Se{sub 3} and AgGa{sub 1−x}In{sub x}Se{sub 2} were investigated. • Two single crystals (Ga{sub 0.6}In{sub 0.4}){sub 2}Se{sub 3}, (Ga{sub 0.594}In{sub 0.396}Er

  1. RSE Table N6.1 and N6.2. Relative Standard Errors for Tables N6.1 and N6.2

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

    1 and N6.2. Relative Standard Errors for Tables N6.1 and N6.2;" " Unit: Percents." " "," "," ",," ","Distillate"," "," ",," " " "," ",,,,"Fuel Oil",,,"Coal" "NAICS"," "," ","Net","Residual","and",,"LPG and","(excluding Coal"," " "Code(a)","End

  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. table6.2_02.xls

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

    2 Consumption Ratios of Fuel, 2002; Level: National and Regional Data; Row: Values of Shipments and Employment Sizes; Column: Energy-Consumption Ratios; Unit: Varies. Consumption ...

  4. Beamline 4.0.2

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

    flux (1.9 GeV, 400 mA) 1 x 1013 photonss0.1%BW at 800 eV Value reported is the merit function, flux total flux x (degree of circular polarization)2. Resolving power (EE)...

  5. Microsoft PowerPoint - MO Orientation Final 6 4 07

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

    beforeon schedule Department of Energy 4 What is GFPR (cont) *Philosophy whereby work is performed with minimal contract focus on process *Focus is on Results with...

  6. SUPESv.4.1.2

    Energy Science and Technology Software Center (OSTI)

    2001-04-25

    SUPES is a collection of subprograms that perform frequently used non-numerical services for the engineering applications programmer. The three functional categories of SUPES are: (1) input command parsing, (2) dynamic memory management, and (3) system dependent utilities. The subprograms in categories one and two are written in standard FORTRAN-77, while the subprograms in category three are written provide a standarized FORTRAN interface to several system dependent features.

  7. The Active Site of Nickel Phosphide Catalysts for the Hydrodesulfurization of 4,6-DMDBT

    SciTech Connect (OSTI)

    Oyama,S.; Lee, Y.

    2008-01-01

    Ni2P catalysts supported on SiO2 and MCM-41 were prepared by temperature-programmed reduction (TPR), and the effect of the dispersion on catalyst structure and hydroprocessing performance was studied. The surface areas of the samples varied from low (Ni2P/SiO2-L, 88 m2 g?1) to high (Ni2P/SiO2-H, 240 m2 g?1), to very high (Ni2P/MCM-41, 487 m2 g?1), with corresponding Ni2P average crystallite sizes decreasing from 10.1 to 6.5 and 3.8 nm. X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) studies were used to obtain structural parameters for the supported Ni2P phase. The catalytic activity in hydrodesulfurization (HDS) was measured at 613 K and 3.1 MPa in a three-phase fixed bed reactor using a model liquid feed containing 4, 6-dimethyldibenzothiophene (4, 6-DMDBT) and quinoline in a tridecane solvent. At standard conditions using 500 ppm S as 4, 6-DMDBT, 6000 ppm S as dimethyldisulfide (DMDS), and 500 ppm N as quinoline, the catalytic activity followed the sequence Ni2P/MCM-41 > Ni2P/SiO2-H > Ni2P/SiO2-L, based on equal sites (230 ?mol) loaded in the reactor. In particular, Ni2P/MCM-41 gave an HDS conversion of 90%, which was much higher than that of a commercial Ni-Mo-S/Al2O3 catalyst which gave an HDS conversion of 68%, based on equal number of sites (230 ?mol) loaded in the reactor. The sites were counted by CO chemisorption for the phosphide and by low-temperature O2 chemisorption for the sulfide. EXAFS analysis of the samples confirmed the presence of two types of sites, tetrahedral Ni(1) sites and square pyramidal Ni(2) sites, with the latter growing in number in the same order as the reactivity Ni2P/MCM-41 > Ni2P/SiO2-H > Ni2P/SiO2-L, as the crystallite size decreased. From the selectivity to the direct desulfurization (DDS) product (dimethylbiphenyl) and the hydrogenation (HYD) products (methylcyclohexyltoluenes and dimethylbicyclohexyls) it is concluded that the Ni(1) sites are responsible for DDS while the Ni(2) are highly active

  8. Beamline 4.0.2

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

    2 Print Magnetic Spectroscopy and Scattering Scientific disciplines: Magnetism, materials science Endstations: Eight-pole electromagnet Scattering Chamber 9T magnet GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 100-2000 eV Monochromator Variable-included-angle PGM Calculated flux (1.9 GeV, 400 mA) 1 x 1013 photons/s/0.1%BW at 800 eV [Value reported is the merit function, flux = total flux x (degree of

  9. Beamline 4.0.2

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

    2 Print Magnetic Spectroscopy and Scattering Scientific disciplines: Magnetism, materials science Endstations: Eight-pole electromagnet Scattering Chamber 9T magnet GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 100-2000 eV Monochromator Variable-included-angle PGM Calculated flux (1.9 GeV, 400 mA) 1 x 1013 photons/s/0.1%BW at 800 eV [Value reported is the merit function, flux = total flux x (degree of

  10. Beamline 4.0.2

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

    2 Print Magnetic Spectroscopy and Scattering Scientific disciplines: Magnetism, materials science Endstations: Eight-pole electromagnet Scattering Chamber 9T magnet GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 100-2000 eV Monochromator Variable-included-angle PGM Calculated flux (1.9 GeV, 400 mA) 1 x 1013 photons/s/0.1%BW at 800 eV [Value reported is the merit function, flux = total flux x (degree of

  11. Beamline 4.0.2

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

    2 Print Magnetic Spectroscopy and Scattering Scientific disciplines: Magnetism, materials science Endstations: Eight-pole electromagnet Scattering Chamber 9T magnet GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 100-2000 eV Monochromator Variable-included-angle PGM Calculated flux (1.9 GeV, 400 mA) 1 x 1013 photons/s/0.1%BW at 800 eV [Value reported is the merit function, flux = total flux x (degree of

  12. RFP RCE-6-6377 Sample Subcontract, Attachment 2

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

    PAYMENT, AND CEILING AMOUNT ... 2 ARTICLE 4 - PERSONAL PROPERTY MANAGEMENT AND CONTROL (JAN 2010) ... 2 ARTICLE 5 -...

  13. 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.

  14. Table HC6.2 Living Space Characteristics by Number of Household Members, 2005

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

    2 Living Space Characteristics by Number of Household Members, 2005 Total...................................................................... 111.1 30.0 34.8 18.4 15.9 12.0 Floorspace (Square Feet) Total Floorspace 1 Fewer than 500............................................... 3.2 1.7 0.8 0.4 0.3 Q 500 to 999....................................................... 23.8 10.2 6.4 3.4 2.3 1.5 1,000 to 1,499................................................. 20.8 5.5 6.3 3.0 3.3 2.6 1,500 to

  15. Synthesis of 6-Methyl-9-n-propyldibenzothiophene-4-ol ammended to 6-Methyl-9-(1-methylethyl)-dibenzothiophene-4-ol

    SciTech Connect (OSTI)

    Not Available

    1992-02-28

    The material presented below is taken from Status Reports 15, 16 and 17 and covers the progress made toward the synthesis of the modified target molecules 9-isopropyl-4-methoxy-6 methyldibenzothiophene (13) and 9-isopropyl-6methyldibenzothiophene-4-ol (14).

  16. Data:Caa5cce6-c6c8-4b7a-ac01-eb6abdf87c9b | Open Energy Information

    Open Energy Info (EERE)

    Caa5cce6-c6c8-4b7a-ac01-eb6abdf87c9b No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading......

  17. Decision document for function 4.2.4 dispose waste

    SciTech Connect (OSTI)

    Claghorn, R.D.

    1996-09-23

    This report formally documents the planning assumptions for Function 4.2.4, Dispose Waste, to provide a basis for lower level Tank Waste Remediation System (TWRS) Disposal Program decisions and analyses. The TWRS Environmental Impact Statement (DOE/EIS 1996) and a supplemental Environmental Impact Statement for closure of operable units will provide the ultimate Records of Decision for the TWRS strategy at this level. However, in the interim, this decision document provides a formal basis for the TWRS Dispose Waste planning assumptions. Function 4.2.4 addresses the disposition of immobilized high-level waste (IHLW), the disposition of immobilized low-activity waste (ILAW), and closure of the tank farm operable units.

  18. Decision document for function 4.2.4 dispose waste

    SciTech Connect (OSTI)

    Mcconville, C.M.

    1996-09-23

    This report formally documents the planning assumptions for Function 4.2.4, {ital Dispose Waste} to provide a basis for lower level Tank Waste Remediation System (TWRS) Disposal Program decisions and analyses. The TWRS Environmental Impact Statement (DOE/EIS 1996) and a supplemental Environmental Impact Statement for closure of operable units will provide the ultimate Records of Decision for the TWRS strategy at this level. However, in the interim, this decision document provides a formal basis for the TWRS Dispose Waste planning assumptions. Function 4.2.4 addresses the disposition of immobilized high-level waste (IHLW), the disposition of immobilized low-activity waste (ILAW), and closure of the tank farm operable units.

  19. Microstructure characterization of laser welded Ti-6Al-4V fusion zones

    SciTech Connect (OSTI)

    Xu, Pei-quan; Li, Leijun, E-mail: leijun.li@ualberta.ca; Zhang, Chunbo

    2014-01-15

    The as-welded microstructure of laser-welded Ti-6Al-4V is characterized as a function of CO2 key-hole mode laser welding speed. Martensitic ?? is the predominant phase, with some ? and retained ?. Phase transformation is affected by the cooling rate through laser welding speed. A higher welding speed of 1.6 to 2.0 m/min produced more martensite ?? and less retained ? in the welds. 1.4 m/min welding speed produced small amounts of ?, besides the martensite ??. A trace of ? titanium hydride phase seems to have formed in the weld fusion zone. Moir fringes are a common feature in the TEM microstructure, due to abundance of multi-phase interfaces. Tensile twins and clusters of dislocations indicate that plastic deformation has happened in the as-welded microstructure, indicating the local stress levels to be approaching the yield stress on-cooling during laser welding.

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

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

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

  1. Table 6.4 Natural Gas Gross Withdrawals and Natural Gas Well Productivity, 1960-2011

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

    Natural Gas Gross Withdrawals and Natural Gas Well Productivity, 1960-2011 Year Natural Gas Gross Withdrawals From Crude Oil, Natural Gas, Coalbed, and Shale Gas Wells Natural Gas Well Productivity Texas 1 Louisiana 1 Oklahoma Other States 1 Federal Gulf of Mexico 2 Total Onshore Offshore Total Gross With- drawals From Natural Gas Wells 3 Producing Wells 4 Average Productivity Federal State Total Million Cubic Feet Million Cubic Feet Million Cubic Feet Number Cubic Feet per Well 1960 6,964,900

  2. Buildings Energy Data Book: 2.4 Residential Environmental Data

    Buildings Energy Data Book [EERE]

    6 2035 Residential 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 Total Percent Space Heating (4) 169.7 22.8 14.1 1.5 38.3 0.5 76.7 285.3 23.1% Water Heating 67.2 2.6 2.1 4.7 84.8 156.7 12.7% Space Cooling 0.0 194.5 194.5 15.7% Electronics (5) 68.1 68.1 5.5% Refrigeration (6) 81.5 81.5 6.6% Lighting 74.3 74.3 6.0% Wet Cleaning (7) 3.5 50.0 53.4 4.3% Cooking 12.2 1.5 1.5 23.2 37.0 3.0%

  3. Categorical Exclusion Determinations: B2.6 | Department of Energy

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

    6 Categorical Exclusion Determinations: B2.6 Existing Regulations B2.6: Recovery of radioactive sealed sources Recovery of radioactive sealed sources and sealed source-containing devices from domestic or foreign locations provided that (1) the recovered items are transported and stored in compliant containers, and (2) the receiving site has sufficient existing storage capacity and all required licenses, permits, and approvals. Previous Regulations Categorical Exclusion Determinations dated

  4. Data:225b952f-75c8-44c8-9e4b-2e63f6a9a928 | 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...

  5. Measurements of coronal Faraday rotation at 4.6 R {sub ?}

    SciTech Connect (OSTI)

    Kooi, Jason E.; Fischer, Patrick D.; Buffo, Jacob J.; Spangler, Steven R.

    2014-03-20

    Many competing models for the coronal heating and acceleration mechanisms of the high-speed solar wind depend on the solar magnetic field and plasma structure in the corona within heliocentric distances of 5 R {sub ?}. We report on sensitive Very Large Array (VLA) full-polarization observations made in 2011 August, at 5.0 and 6.1 GHz (each with a bandwidth of 128 MHz) of the radio galaxy 3C 228 through the solar corona at heliocentric distances of 4.6-5.0 R {sub ?}. Observations at 5.0 GHz permit measurements deeper in the corona than previous VLA observations at 1.4 and 1.7 GHz. These Faraday rotation observations provide unique information on the magnetic field in this region of the corona. The measured Faraday rotation on this day was lower than our a priori expectations, but we have successfully modeled the measurement in terms of observed properties of the corona on the day of observation. Our data on 3C 228 provide two lines of sight (separated by 46'', 33,000 km in the corona). We detected three periods during which there appeared to be a difference in the Faraday rotation measure between these two closely spaced lines of sight. These measurements (termed differential Faraday rotation) yield an estimate of 2.6-4.1 GA for coronal currents. Our data also allow us to impose upper limits on rotation measure fluctuations caused by coronal waves; the observed upper limits were 3.3 and 6.4 rad m{sup 2} along the two lines of sight. The implications of these results for Joule heating and wave heating are briefly discussed.

  6. Categorical Exclusion Determinations: B6.2 | Department of Energy

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

    2 Categorical Exclusion Determinations: B6.2 Existing Regulations B6.2: Waste collection, treatment, stabilization, and containment facilities The siting, construction, and operation of temporary (generally less than 2 years) pilot-scale waste collection and treatment facilities, and pilot-scale (generally less than 1 acre) waste stabilization and containment facilities (including siting, construction, and operation of a small-scale laboratory building or renovation of a room in an existing

  7. Notice of Intent to Revise DOE M 470.4-6

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2010-10-06

    The proposed revision of this manual will convert the requirements to and new order, DOE O 470.6, and cancel DOE M 470.4-6, Chg 1.

  8. Highly Lipophilic, Mono-ionizable Calix[4]arene-benzocrown-6...

    Office of Scientific and Technical Information (OSTI)

    from Nuclear Wastes Citation Details In-Document Search Title: Highly Lipophilic, Mono-ionizable Calix4arene-benzocrown-6 Extractants for Removal of Radiocesium from Nuclear ...

  9. NMS 74-6-4 Duties and Powers of the Water Quality Control Commission...

    Open Energy Info (EERE)

    -4 Duties and Powers of the Water Quality Control Commission Jump to: navigation, search OpenEI Reference LibraryAdd to library Legal Document- StatuteStatute: NMS 74-6-4 Duties...

  10. High temperature experiments on a 4 tons UF6 container TENERIFE program

    SciTech Connect (OSTI)

    Casselman, C.; Duret, B.; Seiler, J.M.; Ringot, C.; Warniez, P.

    1991-12-31

    The paper presents an experimental program (called TENERIFE) whose aim is to investigate the behaviour of a cylinder containing UF{sub 6} when exposed to a high temperature fire for model validation. Taking into account the experiments performed in the past, the modelization needs further information in order to be able to predict the behaviour of a real size cylinder when engulfed in a 800{degrees}C fire, as specified in the regulation. The main unknowns are related to (1) the UF{sub 6} behaviour beyond the critical point, (2) the relationship between temperature field and internal pressure and (3) the equivalent conductivity of the solid UF{sub 6}. In order to investigate these phenomena in a representative way it is foreseen to perform experiments with a cylinder of real diameter, but reduced length, containing 4 tons of UF{sub 6}. This cylinder will be placed in an electrically heated furnace. A confinement vessel prevents any dispersion of UF{sub 6}. The heat flux delivered by the furnace will be calibrated by specific tests. The cylinder will be changed for each test.

  11. Conduction below 100 °C in nominal Li6ZnNb4O14

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

    Li, Yunchao; Paranthaman, Mariappan Parans; Gill, Lance W.; Edward W. Hagaman; Wang, Yangyang; Sokolov, Alexei P.; Dai, Sheng; Ma, Cheng; Chi, Miaofang; Veith, Gabriel M.; et al

    2015-09-15

    The increasing demand for a safe rechargeable battery with a high energy density per cell is driving a search for a novel solid electrolyte with a high Li+ or Na+ conductivity that is chemically stable in a working Li-ion or Na-ion battery. Li6ZnNb4O14 has been reported to exhibit a σ Li > 10-2 S cm-1 at 250 °C, but to disproportionate into multiple phases on cooling from 850 °C to room temperature. An investigation of the room-temperature Li-ion conductivity in a porous pellet of a multiphase product of a nominal Li6ZnNb4O14 composition is shown to have bulk σ Li 3.3more » x 10-5 S cm-1 at room temperature that increases to 1.4 x 10-4 S cm-1 by 50 °C. 7Li MAS NMR spectra were fitted to two Lorentzian lines, one of which showed a dramatic increase with increasing temperature. As a result, a test for water stability indicates that Li+ may move to the particle and grain surfaces to react with adsorbed water as occurs in the garnet Li+ conductors.« less

  12. Experimental Station 6-2C | Stanford Synchrotron Radiation Lightsource

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

    C Beamline 6-2 is a wiggler end-station beamline dedicated for advanced x-ray spectroscopy and transmission x-ray microscopy. The 6-2 middle hutch is equipped with a 40-crystal non-resonant x-ray Raman scattering, a 7-crystal spectrometer operating on a Rowland circle for x-ray emission spectroscopy and resonant inelastic x-ray scattering (RIXS) measurements, and a 14-crystal high-q XRS spectrometer. The 6-2 back hutch houses a Transmission X-ray Microscope. Status Open Supported Techniques

  13. CASL Milestone L2.VRI.P6.01

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

    L2 Milestone VRI.P6.04 - VERA 3.0 CASL-U-2014-0006-000 i Fe Milestone L2:VRI.P6.04 Virtual Environment for Reactor Applications (VERA): Snapshot 3.0 03/29/2013 CASL-U-2014-0006-000 CASL L2 Milestone VRI.P6.04 - VERA 3.0 CASL-U-2014-0006-000 ii Oak Ridge National Laboratory in partnership with Electric Power Research Institute Idaho National Laboratory Los Alamos National Laboratory Massachusetts Institute of Technology North Carolina State University Sandia National Laboratories Tennessee Valley

  14. 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.

  15. Buildings Energy Data Book: 6.2 Electricity Generation, Transmission, and Distribution

    Buildings Energy Data Book [EERE]

    9 2009 Peak Load and Capacity Margin, Summer and Winter by NERC Region (MW) NERC Region Capacity Margin Capacity Margin TRE 16.7% 19.1% FRCC 6.0% 2.0% MRO (U.S.) 24.6% 26.8% NPCC (U.S.) 29.1% 43.2% RFC 25.2% 33.3% SERC 24.6% 26.2% SPP 16.4% 34.6% WECC 19.4% 29.6% U.S. TOTAL 22.2% 28.5% Note(s): Source(s): 128,245 109,565 725,958 668,818 1) Summer Demand includes the months of June, July, August, and September. 2) Winter Demand includes December of the previous year and January-March of the

  16. Simultaneous presence of (Si{sub 3}O{sub 10}){sup 8−} and (Si{sub 2}O{sub 7}){sup 6−} groups in new synthetic mixed sorosilicates: BaY{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}) and isotypic compounds, studied by single-crystal X-ray diffraction, Raman spectroscopy and DFT calculations

    SciTech Connect (OSTI)

    Wierzbicka-Wieczorek, Maria; Többens, Daniel M.; Kolitsch, Uwe; Tillmanns, Ekkehart

    2013-11-15

    Three new, isotypic silicate compounds, BaY{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}), SrYb{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}) and SrSc{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}), were synthesized using high-temperature flux growth techniques, and their crystal structures were solved from single-crystal X-ray intensity data: monoclinic, P2{sub 1}/m, with a=5.532(1)/5.469(1)/5.278(1), b=19.734(4)/19.447(4)/19.221(4), c=6.868(1)/6.785(1)/6.562(1) Å, β=106.53(3)/106.20(3)/106.50(3)°, V=718.8(2)/693.0(2)/638.3(2) Å{sup 3}, R(F)=0.0225/0.0204/0.0270, respectively. The topology of the novel structure type contains isolated horseshoe-shaped Si{sub 3}O{sub 10} groups (Si–Si–Si=93.15–95.98°), Si{sub 2}O{sub 7} groups (Si–O{sub bridge}–Si=180°, symmetry-restricted) and edge-sharing M(1)O{sub 6} and M(2)O{sub 6} octahedra. Single-crystal Raman spectra of the title compounds were measured and compared with Raman spectroscopic data of chemically and topologically related disilicates and trisilicates, including BaY{sub 2}(Si{sub 3}O{sub 10}) and SrY{sub 2}(Si{sub 3}O{sub 10}). The band assignments are supported by additional theoretical calculation of Raman vibrations by DFT methods. - Graphical abstract: View of BaY{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}) along [100], showing zigzag chains and the tri- and disilicate groups. The unit cell is outlined. Display Omitted - Highlights: • We report a novel interesting crystal structure type for mixed sorosilicates containing Y, Yb, and Sc. • Synthesis of such mixed sorosilicates is possible by a high-temperature flux-growth technique. • Calculation of Raman vibrations by advanced DFT methods allows a considerably improved interpretation of measured Raman spectra.

  17. "Table HC4.2 Living Space Characteristics by Renter-Occupied...

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

    "2,500 to 2,999",10.3,9.3,8.6,0.5,"Q","Q","Q" "3,000 to 3,499",6.7,6.1,5.8,0.3,"Q","N","N" "3,500 to 3,999",5.2,4.9,4.7,"Q","Q","Q","N" "4,000 or More",13.3,12.6,12,0.5,"Q","Q",...

  18. IDIQ BS Ex A (Rev. 3.2, 6/14/13) Exhibit A General Conditions

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

    2, 6/14/13) Exhibit A General Conditions Page 1 of 19 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

  19. Rietveld refinement and ionic conductivity of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}

    SciTech Connect (OSTI)

    Tmar Trabelsi, I.; Madani, A.; Mercier, A.M.; Toumi, M.

    2013-01-15

    The structure of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}, isostructural with Fluoroapatite, was determined by X-ray powder diffraction methods. The results of Rietveld refinement revealed that the formula of this compound is [Ca{sub 4}]{sup 4f}[Ca{sub 4.4}Bi{sub 1.6}]{sup 6h}(PO{sub 4}){sub 6}[O{sub 1.8}]{sup 2a}, space group P63/m (a=9.468 (3) A, c=6.957 (3) A). A total substitution of Bi{sup 3+} ions in the (6h) sites was related particularly to the high polarizability of the Bi{sup 3+} ion compared to Ca{sup 2+}. The observed frequencies in the Raman and infrared spectra were explained and discussed on the basis of unit-cell group analyses and in comparison with Fluoroapatite and other oxyapatites. The ionic conductivity over a wide range of temperature was investigated according to the complex impedance method. The highest overall conductivity values were found at {sigma}{sub 700 Degree-Sign C} =5.03 Multiplication-Sign 10{sup -7} S cm{sup -1} and E{sub a}=0.50 eV. - Graphical abstract: The final Rietveld refinement plot of the Ca{sub 8.4}Bi{sub 1.6} (PO{sub 4}){sub 6}O{sub 1.8}. Highlights: Black-Right-Pointing-Pointer The Rietveld refinement revealed that the formula of this compound is Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}. Black-Right-Pointing-Pointer Vibrational spectroscopy supports the high symmetry P63/m space group for this apatite. Black-Right-Pointing-Pointer This apatite contained channels where oxygen ions were located in 2a sites. Black-Right-Pointing-Pointer The possibility of anionic conduction along these channels was considered.

  20. Operation Greenhouse. Scientific Director's report of atomic-weapon tests at Eniwetok, 1951. Annex 1. 6. Blast measurements. Part 4. Pressure-time measurements in the Mach region. Sections 1 and 2

    SciTech Connect (OSTI)

    Price, J.F.; Sokol, G.M.; Anastasion, S.N.; Vader, R.L.; Walthall, E.R.

    1985-09-01

    The objective of the laboratory and field work described in this report was to make accurate measurements of air blast in the Mach region from two explosions of Operation Greenhouse. Measurements were made at constant height along a single radius on Test Dog and along two different radii for test Easy. In addition, diaphragm-type inductance gages were installed at five different heights on approximately the same radii on test Easy. The spring-piston gage successfully did the job it was designed to do. The diaphragm-type inductance-gage measuring system had an accuracy of 2% in pressure and a resolving time of approximately 1 musec. Complete details concerning equipment design, field operation, and recommendations for future use of the systems are presented.

  1. Rational Design of Cesium-Selective Ionophores and Chemosensors: Dihydrocalix[4]arene Crown-6 Ethers

    SciTech Connect (OSTI)

    Sachleben, Richard A.; Bryan, Jeffrey C.; Brown, Gilbert M.; Engle, Nancy L.; Haverlock, Tamara J.; Hay, Benjamin P.; Urvoas, Agathe; Moyer, Bruce A.

    2003-12-15

    Molecular mechanics calculations performed on calix[4]arene crown-6 ethers predict that the 1,3-dihydro derivatives will exhibit greater complementarity for potassium and cesium ions than the parent 1,3-dialkoxy calix crowns. The X-ray crystal structures of 1,3-alt bis-octyloxycalix[4]arene benzocrown-6 ether, dihydrocalix[4]arene benzocrown-6 ether, and the cesium nitrate complex of dihydrocalix[4]arene benzocrown-6 ether were determined. The cesium complex structure corresponds closely to the structure predicted by molecular mechanics. The dihydrocalix[4]arene crown-6 ethers exhibit enhanced cesium selectivity in the extraction of alkali metal salts and provide a platform for a highly sensitive and selective cesium chemosensor.

  2. Laser cladding of Ti-6Al-4V with various carbide powders

    SciTech Connect (OSTI)

    Folkes, J.A.; Shibata, K. )

    1994-06-01

    Laser cladding Ti-6Al-4V can be achieved with various weight percentages of different carbide powders. The microstructure and morphology of the clad layer is determined by the cladding powder composition, for a given set of laser parameters, such that 10 and 20 wt% Cr[sub 3]C[sub 2] results in a [beta] + TiC clad microstructure; 10 and 20 wt% WC results in an [alpha] + TiC clad microstructure (plus some original WC); and Mo[sub 2]C gives an [alpha] + [beta] + TiC or [beta] + TiC structure, depending on the weight percentage of Mo[sub 2]C. The morphology of the TiC in all cases is dendritic or feathery, depending on the carbide content. The microstructure observed in all cases agreed well with that theoretically predicted from the energetics of carbide formation and [beta]-stabilizing properties of each element.

  3. Synthesis of 6-Methyl-9-n-propyldibenzo thiophene-4-ol ammended to 6-Methyl-9-(1-methylethyl)-dibenzo thiophene-4-ol. Quarterly technical progress report No. 6, October 28, 1991--January 26, 1992

    SciTech Connect (OSTI)

    Not Available

    1992-02-28

    The material presented below is taken from Status Reports 15, 16 and 17 and covers the progress made toward the synthesis of the modified target molecules 9-isopropyl-4-methoxy-6 methyldibenzothiophene (13) and 9-isopropyl-6methyldibenzothiophene-4-ol (14).

  4. Coupled antiferromagnetic spin- 12 chains in green dioptase Cu6[Si6O18]·6H2O

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

    Podlesnyak, Andrey A; Larry M. Anovitz; Kolesnikov, Alexander I; Matsuda, Masaaki; Prisk, Timothy R; Toth, Sandor; Ehlers, Georg

    2016-02-01

    Inmore » this paper, we report inelastic neutron scattering measurements of the magnetic excitations of green dioptase Cu6[Si6O18]∙6H2O. The observed spectrum contains two magnetic modes and a prominent spin gap that is consistent with the ordered ground state of Cu moments coupled antiferromagnetically in spiral chains along the c axis and ferromagnetically in ab planes on the hexagonal cell. The data are in excellent agreement with a spin- 12Hamiltonian that includes antiferromagnetic nearest-neighbor intrachain coupling Jc=10.6(1) meV, ferromagnetic interchain coupling Jab=₋1.2 (1) meV, and exchange anisotropy ΔJc=0.14(1) meV. We calculated the sublattice magnetization to be strongly reduced, ~0.39μB. This appears compatible with a reduced Néel temperature, TN=14.5K

  5. Strain-induced topological transition in SrRu2O6 and CaOs2O6

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

    Ochi, Masayuki; Arita, Ryotaro; Trivedi, Nandini; Okamoto, Satoshi

    2016-05-24

    The topological property of SrRu$_2$O$_6$ and isostructural CaOs$_2$O$_6$ under various strain conditions is investigated using density functional theory. Based on an analysis of parity eigenvalues, we anticipate that a three-dimensional strong topological insulating state should be realized when band inversion is induced at the A point in the hexagonal Brillouin zone. For SrRu$_2$O$_6$, such a transition requires rather unrealistic tuning, where only the $c$ axis is reduced while other structural parameters are unchanged. However, given the larger spin-orbit coupling and smaller lattice constants in CaOs$_2$O$_6$, the desired topological transition does occur under uniform compressive strain. Our study paves a waymore » to realize a topological insulating state in a complex oxide, which has not been experimentally demonstrated so far.« less

  6. Polyorganometallosiloxane-2- or -4-pyridine coatings

    DOE Patents [OSTI]

    Sugama, Toshifumi

    1997-01-01

    A new family of polyorganometallosiloxane-2- or -4-pyridine compounds are provided for corrosion resistant coatings on light metals such as aluminum, magnesium, zinc, steel and their allows. The novel compounds contain backbones modified by metal alkoxides, metallocenes and metallophthalocyanates where the metal is Zr, Ti, Mo, V, Hf, Nb, Si, B and combinations thereof. Methods of making the new compounds are also provided.

  7. The EBR-II materials-surveillance program. 4: Results of SURV-4 and SURV-6

    SciTech Connect (OSTI)

    Ruther, W.E.; Hayner, G.O.; Carlson, B.G.; Ebersole, E.R.; Allen, T.R.

    1998-01-01

    In March of 1965, a set of surveillance (SURV) samples was placed in the EBR-II reactor to determine the effect of irradiation, thermal aging, and sodium corrosion on reactor materials. Eight subassemblies were placed into row 12 positions of EBR-II to determine the effect of irradiation at 370 C. Two subassemblies were placed into the primary sodium basket to determine the effect of thermal aging at 370 C. For both the irradiated and thermally aged samples, one half of all samples were exposed to primary system sodium while one half were sealed in capsules with a helium atmosphere. Fifteen different structural materials were tested in the SURV program. In addition to the fifteen types of metal samples, graphite blocks were irradiated in the SURV subassemblies to determine the effect of irradiation on the graphite neutron shield. In this report, the properties of these materials irradiated at 370 C to a total fluence of 2.2 x 10{sup 22} n/cm{sup 2} (over 2,994 days) are compared with those of similar specimens thermally aged at 370 C for 2,994 days in the storage basket of the reactor. The properties analyzed were weight, density, microstructure, hardness, tensile and yield strength, impact strength, and creep.

  8. In Situ Foaming of Porous (La 0.6 Sr 0.4 ) 0.98 (Co 0.2 Fe 0.8 ) O 3−δ (LSCF) Cathodes for Solid Oxide Fuel Cell Applications

    SciTech Connect (OSTI)

    Gandavarapu, Sodith; Sabolsky, Edward; Sabolsky, Katarzyna; Gerdes, Kirk

    2015-01-01

    A binder system containing polyurethane precursors was used to in situ foam (direct foam) a (La{sub 0.6}Sr{sub 0.4}){sub 0.98} (Co{sub 0.2} Fe{sub 0.8}) O{sub 3-{#2;delta}} (LSCF) composition for solid oxide fuel cell (SOFC) cathode applications. The relation between in situ foaming parameters on the final microstructure and electrochemical properties was characterized by microscopy and electrochemical impedance spectroscopy (EIS), respectively. The optimal porous cathode architecture was formed with a 70 vol% solids loading within a polymer precursor composition with a volume ratio of 8:4:1 (isocyanate: PEG: surfactant) in a terpineol-based ink vehicle. The resultant microstructure displayed a broad pore size distribution with highly elongated pore structure.

  9. Operational guidance for using DOT-6M/2R packaging

    SciTech Connect (OSTI)

    Kelly, D.L.; Hummer, J.H.

    1994-03-01

    The purpose of this paper is to describe a new US Department of Energy (DOE), Transportation Management Division task to create a US Department of Transportation (DOT) Specification 6M/2R packaging configuration user`s guide. The need for a user`s guide was identified because the DOT-6M/2R packaging configuration is widely used by DOE site contractors, and DOE receives many questions about the approved packaging configurations. Currently, two DOE organizations have the authority to approve new DOT-6M/2R configurations. For Defense Programs, the Transportation and Packaging Safety Division (EH-332) administers the program. For Environmental Restoration and Waste Management, the Transportation Management Division (EM-261) administers the program.

  10. Polyorganometallosiloxane-2- or -4-pyridine coatings

    DOE Patents [OSTI]

    Sugama, T.

    1997-12-30

    A new family of polyorganometallosiloxane-2- or -4-pyridine compounds are provided for corrosion resistant coatings on light metals such as aluminum, magnesium, zinc, steel and their alloys. The novel compounds contain backbones modified by metal alkoxides, metallocenes and metallophthalocyanates where the metal is Zr, Ti, Mo, V, Hf, Nb, Si, B and combinations thereof. Methods of making the new compounds are also provided. 13 figs.