National Library of Energy BETA

Sample records for 2 3 4

  1. JAS3D v. 2.4

    Energy Science and Technology Software Center (OSTI)

    2009-06-29

    JAS3D is a three-dimensional finite element program originally designed to solve Lagrangian quasistatic non-linear mechanics problems, and subsequently extended to include both implicit and explicit dynamics. A set of continuum equations describes the nonlinear mechanics involving large rotation and strain. Innovative multilevel nonlinear iterative methods are used to solve the equations. A wide variety of material constitutive models are available, and contact interface logic is implemented. Two Lagrangian uniform-strain elements are available: an eighth-node hexahedronmore » for solids and a four-node quadrilateral for shells. Both use hourglass stiffness to control zero-energy modes. In addition, a version of the hexahedron is available with uniform pressure and a deviatoric response scalable from the mean response of the original element up to a fully-integrated response. Bodies under analysis may be loaded by surface pressures and concentrated forces, specified displacements, or body forces from gravity, steady-state transport, or thermal expansion.« less

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

    Office of Scientific and Technical Information (OSTI)

    Title: Pressure-enhanced superconductivity in Eu 3 Bi 2 S 4 F 4 The pressure effect on the newly discovered charge-transferred BiS2-based superconductor, Eu3Bi2S4F4, with a Tc of ...

  3. Method for preparation of 7-hydroxy-1,2,3,4-tetrahydroquinoline from 1,2,3,4-tetrahydroquinoline

    DOE Patents [OSTI]

    Field, George; Hammond, Peter R.

    1994-01-01

    Methods for the efficient preparation of 7-hydroxy-1,2,3,4-tetrahydroquinoline include a first method in which the acylation of m-aminophenol obtains a lactam which is reduced to give the desired quinoline and a second method in which tetrahydroquinoline is nitrated and hydrogenated and then hydrolyzed to obtain the desire quinoline. 7-hydroxy-1,2,3,4-tetrahydroquinoline is used in the efficient synthesis of four lasing dyes of the rhodamine class.

  4. Method for preparation of 7-hydroxy-1,2,3,4-tetrahydroquinoline from 1,2,3,4-tetrahydroquinoline

    DOE Patents [OSTI]

    Field, G.; Hammond, P.R.

    1994-02-01

    Methods for the efficient preparation of 7-hydroxy-1,2,3,4-tetrahydroquinoline include a first method in which the acylation of m-aminophenol obtains a lactam which is reduced to give the desired quinoline and a second method in which tetrahydroquinoline is nitrated and hydrogenated and then hydrolyzed to obtain the desire quinoline. 7-hydroxy-1,2,3,4-tetrahydroquinoline is used in the efficient synthesis of four lasing dyes of the rhodamine class.

  5. The Vapor Pressure of 1-(2,2,3,3-Tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-prop anol

    SciTech Connect (OSTI)

    Steele, W.V.

    2002-01-29

    The vapor pressure of the compound 1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol was measured over the temperature range 62 to 92 C using a Knudsen effusion technique. This compound, known as Cs-7SB, is the modifier component in the caustic-side solvent extraction process solvent. The vapor pressure is related to temperature by the equation ln(p/Pa) = (32.202 {+-} 0.265) - (12154 {+-} 93)/T, where p is the pressure, expressed in pascals; Pa is the reference pressure of 1 pascal; and T is the temperature, expressed in degrees kelvin. The derived heat of vaporization is 101.1 {+-} 0.8{sup kJ{center_dot}mol{sup 1} at 351 K. Because the vapor pressures over the temperature range of 15 to 50 C were lower than the design capabilities of the Knudsen effusion apparatus, the vapor pressures at these temperature limits were obtained by extrapolation. The estimated values are 4.6 {+-} 0.3E-05 (3.5 {+-} 0.2E-07 mm Hg) and 4.5 {+-} 0.1E-03 Pa (3.4 {+-} 0.1E-05 mm Hg) for 15 C and 50 C, respectively.

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

    Office of Scientific and Technical Information (OSTI)

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

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

    SciTech Connect (OSTI)

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

    1987-10-01

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

  8. Preparation of 1,1'-dinitro-3,3'-azo-1,2,4-triazole. [1,1'-dinitro-3,3'-azo-1,2,4-triazole

    DOE Patents [OSTI]

    Lee, K.Y.

    1985-03-05

    A new high density composition of matter, 1,1'-dinitro-3,3'-azo-1,2,4-triazole, has been synthesized using inexpensive, commonly available compounds. This compound has been found to be an explosive, and its use as a propellant is anticipated. 1 fig., 1 tab.

  9. 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.

  10. Safety testing of AGR-2 UO2 compacts 3-3-2 and 3-4-2

    SciTech Connect (OSTI)

    Hunn, John D.; Morris, Robert Noel; Baldwin, Charles A.; Montgomery, Fred C.

    2015-09-01

    Post-irradiation examination (PIE) is in progress on tristructural-isotropic (TRISO) coated-particle fuel compacts from the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program second irradiation experiment (AGR-2) [Collin 2014]. The AGR-2 PIE will build upon new information and understanding acquired throughout the recently-concluded six-year AGR-1 PIE campaign [Demkowicz et al. 2015] and establish a database for the different AGR-2 fuel designs.

  11. Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase of riboflavin biosynthesis

    SciTech Connect (OSTI)

    Liao, D.-I.; Calabrese, J.C.; Wawrzak, Z.; Viitanen, P.V.; Jordan, D.B.

    2010-03-05

    3,4-Dihydroxy-2-butanone-4-phosphate synthase catalyzes a commitment step in the biosynthesis of riboflavin. On the enzyme, ribulose 5-phosphate is converted to 3,4-dihydroxy-2-butanone 4-phosphate and formate in steps involving enolization, ketonization, dehydration, skeleton rearrangement, and formate elimination. The enzyme is absent in humans and an attractive target for the discovery of antimicrobials for pathogens incapable of acquiring sufficient riboflavin from their hosts. The homodimer of 23 kDa subunits requires Mg{sup 2+} for activity. The first three-dimensional structure of the enzyme was determined at 1.4 {angstrom} resolution using the multiwavelength anomalous diffraction (MAD) method on Escherichia coli protein crystals containing gold. The protein consists of an {alpha} + {beta} fold having a complex linkage of {beta} strands. Intersubunit contacts are mediated by numerous hydrophobic interactions and three hydrogen bond networks. A proposed active site was identified on the basis of amino acid residues that are conserved among the enzyme from 19 species. There are two well-separated active sites per dimer, each of which comprise residues from both subunits. In addition to three arginines and two threonines, which may be used for recognizing the phosphate group of the substrate, the active site consists of three glutamates, two aspartates, two histidines, and a cysteine which may provide the means for general acid and base catalysis and for coordinating the Mg{sup 2+} cofactor within the active site.

  12. (2,2-Bipyridyl)bis(eta5-1,2,3,4,5-pentamethylcyclopentadienyl)Strontium(II)

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect (2,2-Bipyridyl)bis(eta5-1,2,3,4,5-pentamethylcyclopentadienyl)Strontium(II) Citation Details In-Document Search Title: (2,2-Bipyridyl)bis(eta5-1,2,3,4,5-pentamethylcyclopentadienyl)Strontium(II) In the title compound, the Sr-N distances are 2.624 (3) and 2.676 (3) Angstroms. The Sr-centroid distances are 2.571 and 2.561 Angstroms. The N-C-C-N torsion angle in the bipyridine ligand is 2.2 (4){sup o}. Interestingly, the bipyridine ligand is tilted. The

  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. HRTEM Study of Oxide Nanoparticles in 16Cr-4Al-2W-0.3Ti-0.3Y2O3...

    Office of Scientific and Technical Information (OSTI)

    ...6Cr-4Al-2W-0.3Ti-0.3Y2O3 ODS Steel Citation Details In-Document Search Title: HRTEM Study of Oxide Nanoparticles in 16Cr-4Al-2W-0.3Ti-0.3Y2O3 ODS Steel You are accessing a ...

  15. Microsoft Word - T4_VEIC_TO2_ Sub3_Residential Retrofit Program...

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

    Microsoft Word - T4VEICTO2 Sub3Residential Retrofit Program Design Guide Play BookTEAM 4 FINAL.docx Microsoft Word - T4VEICTO2 Sub3Residential Retrofit Program Design ...

  16. Reactions of Monomeric [1,2,4-(Me3C)3C5H2]2CeH and CO with orwithout H2:An

    Office of Scientific and Technical Information (OSTI)

    Experimental and Computational Study (Journal Article) | SciTech Connect Reactions of Monomeric [1,2,4-(Me3C)3C5H2]2CeH and CO with orwithout H2:An Experimental and Computational Study Citation Details In-Document Search Title: Reactions of Monomeric [1,2,4-(Me3C)3C5H2]2CeH and CO with orwithout H2:An Experimental and Computational Study Addition of CO to [1,2,4-(Me3C)3C5H2]2CeH, Cp'2CeH, intoluene yields the cis (Cp'2Ce)2(mu-OCHCHO), in which the cis enediolategroup bridges the two

  17. Metastability in the MgAl2O4-Al2O3 System

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

    Wilkerson, Dr. Kelley R.; Smith, Jeffrey D; Hemrick, James Gordon

    2014-01-01

    Aluminum oxide must take a spinel form ( -Al2O3) at elevated temperatures in order for extensive solid solution to form between MgAl2O4 and -Al2O3. The solvus line between MgAl2O4 and Al2O3 has been dened at 79.6 wt% Al2O3 at 1500C, 83.0 wt% Al2O3 at 1600C, and 86.5 wt% Al2O3 at 1700C. A metastable region has been dened at temperatures up to 1700C which could have signicant implications for material processing and properties. Additionally, initial processing could have major implications on nal chemistry. The spinel solid solution region has been extended to form an innite solid solution with Al2O3 at elevatedmore » temperatures. A minimum in melting at 1975C and a chemistry of 96 wt% Al2O3 rather than a eutectic is present, resulting in no eutectic crystal formation during solidication.« less

  18. 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.

  19. Pressure-enhanced superconductivity in Eu3Bi2S4F4

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

    Luo, Yongkang; Zhai, Hui -Fei; Zhang, Pan; Xu, Zhu -An; Cao, Guang -Han; Thompson, J. D.

    2014-12-17

    The pressure effect on the newly discovered charge-transferred BiS2-based superconductor, Eu3Bi2S4F4, with a Tc of 1.5 K at ambient pressure, is investigated by transport and magnetic measurements. Accompanied with the enhancement of metallicity under pressures, the onset superconducting transition temperature increases abruptly around 1.0 GPa, reaching ~10.0 K at 2.26 GPa. Alternating current magnetic susceptibility measurements indicate that a new superconducting phase with a higher Tc emerges and dominates at high pressures. In the broad pressure window of 0.68GPa≤p≤2.00 GPa, the high-Tc phase coexists with the low-Tc phase. Hall effect measurements reveal a significant difference in electronic structures between themore » two superconducting phases. As a result, our work devotes the effort to establish the commonality of pressure effect on the BiS2-based superconductors, and also uncovers the importance of electron carrier density in the high-Tc phase.« less

  20. Astrophysical S factors of radiative {sup 3}He{sup 4}He, {sup 3}H{sup 4}He, and {sup 2}H{sup 4}He capture

    SciTech Connect (OSTI)

    Dubovichenko, S. B.

    2010-09-15

    The possibility of describing the astrophysical S factors for radiative {sup 3}He{sup 4}He capture at energies of up to 15 keV and radiative {sup 3}H{sup 4}He and {sup 2}H{sup 4}He capture at energies of up 5 keV is considered on the basis of the potential cluster model involving forbidden states.

  1. update4_supplemental_lists_1c_2c_2c3b_041411updated_051711.xls | Department

    Energy Savers [EERE]

    of Energy update4_supplemental_lists_1c_2c_2c3b_041411updated_051711.xls update4_supplemental_lists_1c_2c_2c3b_041411updated_051711.xls Office spreadsheet icon update4_supplemental_lists_1c_2c_2c3b_041411updated_051711.xls More Documents & Publications List 2: Eligible Multifamily Buildings 10-CFR-440.22(b)(4)(ii) updated_supplemental_lists_1h-2h-3g- 11-4-2011.xlsx updated_supplemental_lists_1j-2j-3i_12-22-2011.xlsx

  2. 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.

  3. 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.

  4. 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.

  5. (2,2-Bipyridyl)bis(eta5-1,2,3,4,5-pentamethylcyclopentadienyl)Strontium(II)

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect (2,2-Bipyridyl)bis(eta5-1,2,3,4,5-pentamethylcyclopentadienyl)Strontium(II) Citation Details In-Document Search Title: (2,2-Bipyridyl)bis(eta5-1,2,3,4,5-pentamethylcyclopentadienyl)Strontium(II) × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional information resources

  6. HRTEM Study of Oxide Nanoparticles in 16Cr-4Al-2W-0.3Ti-0.3Y2O3 ODS Steel

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect HRTEM Study of Oxide Nanoparticles in 16Cr-4Al-2W-0.3Ti-0.3Y2O3 ODS Steel Citation Details In-Document Search Title: HRTEM Study of Oxide Nanoparticles in 16Cr-4Al-2W-0.3Ti-0.3Y2O3 ODS Steel Crystal and interfacial structures of oxide nanoparticles in 16Cr-4Al-2W-0.3Ti-0.3Y{sub 2}O{sub 3} ODS ferritic steel have been examined using high-resolution transmission electron microscopy (HRTEM) techniques. Oxide nanoparticles with a complex-oxide core and an amorphous

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

    SciTech Connect (OSTI)

    Bayless, Paul David

    2015-10-01

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

  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 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.

  10. (2,2-Bipyridyl)bis(eta5-1,2,3,4,5-pentamethylcyclopentadienyl...

    Office of Scientific and Technical Information (OSTI)

    The Sr-centroid distances are 2.571 and 2.561 Angstroms. The N-C-C-N torsion angle in the ... of Publication: United States Language: English Subject: 38; ATOMS; BIPYRIDINES; TORSION

  11. 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.

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

    SciTech Connect (OSTI)

    Paul D. Bayless

    2012-09-01

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

  13. Laser spectroscopy of the 4s4p {sup 3}P{sub 2} - 4s3d {sup 1}D{sub 2} transition on magnetically trapped calcium atoms

    SciTech Connect (OSTI)

    Dammalapati, U.; Norris, I.; Burrows, C.; Riis, E.

    2011-06-15

    Laser excitation of the 4s4p {sup 3}P{sub 2} - 4s3d {sup 1}D{sub 2} transition in atomic calcium has been observed and the wavelength determined to 1530.5298(6) nm. The metastable 4s4p {sup 3}P{sub 2} atoms were magnetically trapped in the quadrupole magnetic field of a magneto-optical trap. This state represents the only ''loss'' channel for the calcium atoms when laser cooled on the 4s{sup 2} {sup 1}S{sub 0} - 4s4p {sup 1}P{sub 1} transition. A rate equation model shows that an order of magnitude more atoms are trapped in this state compared with those taking part in the main cooling cycle. Excitation of the {sup 3}P{sub 2} atoms back up to the 4s3d {sup 1}D{sub 2} state provides a means of accessing these atoms. Efficient repumping is achieved if the 1530-nm laser is used in conjunction with a 672-nm laser driving the 4s3d {sup 1}D{sub 2} - 4s5p {sup 1}P{sub 1} transition. In the present experiment, we detected about 4.5x10{sup 4} trapped {sup 3}P{sub 2} atoms, a relatively low atom density, and measured a lifetime of approximately 1 s, which is limited by background collisions.

  14. Microsoft Word - T4_VEIC_TO2_ Sub3_Residential Retrofit Program Design

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

    Guide Play Book_TEAM 4 FINAL.docx | Department of Energy Microsoft Word - T4_VEIC_TO2_ Sub3_Residential Retrofit Program Design Guide Play Book_TEAM 4 FINAL.docx Microsoft Word - T4_VEIC_TO2_ Sub3_Residential Retrofit Program Design Guide Play Book_TEAM 4 FINAL.docx PDF icon residential_retrofit_program_design_guide.pdf More Documents & Publications Microsoft Word - Horizon Wind Energy Comments.docx Reporting Pre-guidance Announcement 06-02-2011 Letter to SEP Recipients on Changes to

  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. Ti3CrCu4: A possible 2-D ferromagnetic spin fluctuating system (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect SciTech Connect Search Results Journal Article: Ti3CrCu4: A possible 2-D ferromagnetic spin fluctuating system Citation Details In-Document Search Title: Ti3CrCu4: A possible 2-D ferromagnetic spin fluctuating system Authors: Dhar, S. K. [1] ; Provino, A. [2] ; Manfrinetti, P. [2] ; Kulkarni, R. [1] ; Goyal, Neeraj [1] ; Paudyal, D. [3] + Show Author Affiliations Department of Condensed Matter Physics & Materials Science, T.I.F.R., Homi Bhabha Road, Colaba,

  17. Ti3CrCu4: A possible 2-D ferromagnetic spin fluctuating system (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | DOE PAGES Ti3CrCu4: A possible 2-D ferromagnetic spin fluctuating system Title: Ti3CrCu4: A possible 2-D ferromagnetic spin fluctuating system Authors: Dhar, S. K. [1] ; Provino, A. [2] ; Manfrinetti, P. [2] ; Kulkarni, R. [1] ; Goyal, Neeraj [1] ; Paudyal, D. [3] + Show Author Affiliations Department of Condensed Matter Physics & Materials Science, T.I.F.R., Homi Bhabha Road, Colaba, Mumbai, 400005, India Department of Chemistry, University of Genova, Via Dodecaneso 31, 16146

  18. 3-nitro-1,2,4-triazol-5-one, a less sensitive explosive

    DOE Patents [OSTI]

    Lee, Kien-Yin; Coburn, Michael D.

    1988-01-01

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

  19. Role of Ce4+ in the scintillation mechanism of codoped Gd3Ga3Al2O12:Ce

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

    Wu, Yuntao; Meng, Fang; Li, Qi; Koschan, Merry; Melcher, Charles L.

    2014-10-17

    To control the time-response performance of widely used cerium-activated scintillators in cutting-edge medical-imaging devices, such as time-of-flight positron-emission tomography, a comprehensive understanding of the role of Ce valence states, especially stable Ce4+, in the scintillation mechanism is essential. However, despite some progress made recently, an understanding of the physical processes involving Ce4+ is still lacking. The aim of this work is to clarify the role of Ce4+ in scintillators by studying Ca2+ codoped Gd3Ga3Al2O12∶Ce (GGAG∶Ce). By using a combination of optical absorption spectra and x-ray absorption near-edge spectroscopies, the correlation between Ca2+codoping content and the Ce4+ fraction is seen. The energy-levelmore » diagrams of Ce3+ and Ce4+ in the Gd3Ga3Al2O12 host are established by using theoretical and experimental methods, which indicate a higher position of the 5d1 state of Ce4+ in the forbidden gap in comparison to that of Ce3+. Underlying reasons for the decay-time acceleration resulting from Ca2+ codoping are revealed, and the physical processes of the Ce4+-emission model are proposed and further demonstrated by temperature-dependent radioluminescence spectra under x-ray excitation.« less

  20. Role of Ce4+ in the scintillation mechanism of codoped Gd3Ga3Al2O12:Ce

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

    Wu, Yuntao; Meng, Fang; Li, Qi; Koschan, Merry; Melcher, Charles L.

    2014-10-17

    To control the time-response performance of widely used cerium-activated scintillators in cutting-edge medical-imaging devices, such as time-of-flight positron-emission tomography, a comprehensive understanding of the role of Ce valence states, especially stable Ce4+, in the scintillation mechanism is essential. However, despite some progress made recently, an understanding of the physical processes involving Ce4+ is still lacking. The aim of this work is to clarify the role of Ce4+ in scintillators by studying Ca2+ codoped Gd3Ga3Al2O12∶Ce (GGAG∶Ce). By using a combination of optical absorption spectra and x-ray absorption near-edge spectroscopies, the correlation between Ca2+codoping content and the Ce4+ fraction is seen. The energy-levelmore »diagrams of Ce3+ and Ce4+ in the Gd3Ga3Al2O12 host are established by using theoretical and experimental methods, which indicate a higher position of the 5d1 state of Ce4+ in the forbidden gap in comparison to that of Ce3+. Underlying reasons for the decay-time acceleration resulting from Ca2+ codoping are revealed, and the physical processes of the Ce4+-emission model are proposed and further demonstrated by temperature-dependent radioluminescence spectra under x-ray excitation.« less

  1. (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.

  2. 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).

  3. 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).

  4. 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.

  5. 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.

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

    SciTech Connect (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.

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

    SciTech Connect (OSTI)

    Tanak, H.

    2013-12-15

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

  8. 3-nitro-1,2,4-triazol-5-one: A less sensitive explosive

    DOE Patents [OSTI]

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

    1987-01-30

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

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

    SciTech Connect (OSTI)

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

    2011-05-15

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

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

    DOE Patents [OSTI]

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

    2003-04-22

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

  11. Bifunctional Fe{sub 3}O{sub 4}@Gd{sub 2}O{sub 3}:Eu{sup 3+}nanocomposites obtained by the homogeneous precipitation method

    SciTech Connect (OSTI)

    Peng, Hongxia; Cui, Bin; Wang, Yingsai

    2013-05-15

    Graphical abstract: The TEM images reveal clearly the coreshell structures because of the obvious difference in contrast between the central part and the fringe, which indicates the Gd{sub 2}O{sub 3}:Eu{sup 3+} layer had successfully deposited on the magnetite Fe{sub 3}O{sub 4} cores. And Fe{sub 3}O{sub 4}@Gd{sub 2}O{sub 3}:Eu{sup 3+} nanoparticles keep the spherical morphology, non-aggregation and rough surface. The images reveal that the average diameters of the Fe{sub 3}O{sub 4} and Fe{sub 3}O{sub 4}@Gd{sub 2}O{sub 3}:Eu{sup 3+} nanoparticles are ?200 nm and ?250 nm, respectively. The thickness of Gd{sub 2}O{sub 3}:Eu{sup 3+} layer is ?25 nm. Highlights: ? Fe{sub 3}O{sub 4}@Gd{sub 2}O{sub 3}:Eu{sup 3+} nanocomposites were synthesized by homogeneous precipitation method. ? Formation of coreshell nanostructure revealed by transmission electron microscopy. ? Fe{sub 3}O{sub 4}@Gd{sub 2}O{sub 3}:Eu{sup 3+} nanocomposites showed magnetic behavior and fluorescence properties. ? Possible applications including bioseparation, drug delivery system, bio-labels, etc. - Abstract: An easy homogeneous precipitation method was developed for the synthesis of bifunctional magnetic-fluorescent nanocomposites with Fe{sub 3}O{sub 4} nanoparticles as the core and europium-doped gadolinium oxide (Gd{sub 2}O{sub 3}:Eu{sup 3+}) as the shell. The nanocomposites showed both strong magnetic behavior and unique Eu-related fluorescence properties with a high emission intensity, which may lead to development of nanocomposites with great potential for applications in drug targeting, biosensors, and diagnostic analysis.

  12. 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.

  13. Inhibition of aminoacylase 3 protects rat brain cortex neuronal cells from the toxicity of 4-hydroxy-2-nonenal mercapturate and 4-hydroxy-2-nonenal

    SciTech Connect (OSTI)

    Tsirulnikov, Kirill; Abuladze, Natalia; Bragin, Anatol; Brain Research Institute, University of California at Los Angeles, CA 90095 ; Faull, Kym; Department of Psychiatry and Biobehavioral Sciences, University of California at Los Angeles, CA 90095; Pasarow Mass Spectrometry Laboratory, University of California at Los Angeles, CA 90095 ; Cascio, Duilio; Damoiseaux, Robert; Schibler, Matthew J.; Pushkin, Alexander

    2012-09-15

    4-Hydroxy-2-nonenal (4HNE) and acrolein (ACR) are highly reactive neurotoxic products of lipid peroxidation that are implicated in the pathogenesis and progression of Alzheimer's and Parkinson's diseases. Conjugation with glutathione (GSH) initiates the 4HNE and ACR detoxification pathway, which generates the mercapturates of 4HNE and ACR that can be excreted. Prior work has shown that the efficiency of the GSH-dependent renal detoxification of haloalkene derived mercapturates is significantly decreased upon their deacetylation because of rapid transformation of the deacetylated products into toxic compounds mediated by ?-lyase. The enzymes of the GSH-conjugation pathway and ?-lyases are expressed in the brain, and we hypothesized that a similar toxicity mechanism may be initiated in the brain by the deacetylation of 4HNE- and ACR-mercapturate. The present study was performed to identify an enzyme(s) involved in 4HNE- and ACR-mercapturate deacetylation, characterize the brain expression of this enzyme and determine whether its inhibition decreases 4HNE and 4HNE-mercapturate neurotoxicity. We demonstrated that of two candidate deacetylases, aminoacylases 1 (AA1) and 3 (AA3), only AA3 efficiently deacetylates both 4HNE- and ACR-mercapturate. AA3 was further localized to neurons and blood vessels. Using a small molecule screen we generated high-affinity AA3 inhibitors. Two of them completely protected rat brain cortex neurons expressing AA3 from the toxicity of 4HNE-mercapturate. 4HNE-cysteine (4HNE-Cys) was also neurotoxic and its toxicity was mostly prevented by a ?-lyase inhibitor, aminooxyacetate. The results suggest that the AA3 mediated deacetylation of 4HNE-mercapturate may be involved in the neurotoxicity of 4HNE.

  14. Synthesis and crystal structure of the palladium oxides NaPd{sub 3}O{sub 4}, Na{sub 2}PdO{sub 3} and K{sub 3}Pd{sub 2}O{sub 4}

    SciTech Connect (OSTI)

    Panin, Rodion V. Khasanova, Nellie R.; Abakumov, Artem M.; Antipov, Evgeny V.; Tendeloo, Gustaaf van; Schnelle, Walter

    2007-05-15

    NaPd{sub 3}O{sub 4}, Na{sub 2}PdO{sub 3} and K{sub 3}Pd{sub 2}O{sub 4} have been prepared by solid-state reaction of Na{sub 2}O{sub 2} or KO{sub 2} and PdO in sealed silica tubes. Crystal structures of the synthesized phases were refined by the Rietveld method from X-ray powder diffraction data. NaPd{sub 3}O{sub 4} (space group Pm3-barn, a=5.64979(6) A, Z=2) is isostructural to NaPt{sub 3}O{sub 4}. It consists of NaO{sub 8} cubes and PdO{sub 4} squares, corner linked into a three-dimensional framework where the planes of neighboring PdO{sub 4} squares are perpendicular to each other. Na{sub 2}PdO{sub 3} (space group C2/c, a=5.3857(1) A, b=9.3297(1) A, c=10.8136(2) A, {beta}=99.437(2){sup o}, Z=8) belongs to the Li{sub 2}RuO{sub 3}-structure type, being the layered variant of the NaCl structure, where the layers of octahedral interstices filled with Na{sup +} and Pd{sup 4+} cations alternate with Na{sub 3} layers along the c-axis. Na{sub 2}PdO{sub 3} exhibits a stacking disorder, detected by electron diffraction and Rietveld refinement. K{sub 3}Pd{sub 2}O{sub 4}, prepared for the first time, crystallizes in the orthorhombic space group Cmcm (a=6.1751(6) A, b=9.1772(12) A, c=11.3402(12) A, Z=4). Its structure is composed of planar PdO{sub 4} units connected via common edges to form parallel staggered PdO{sub 2} strips, where potassium atoms are located between them. Magnetic susceptibility measurements of K{sub 3}Pd{sub 2}O{sub 4} reveal a Curie-Weiss behavior in the temperature range above 80 K. - Graphical abstract: Na{sub 2}PdO{sub 3} (space group C2/c, a=5.3857(1) A, b=9.3297(1) A, c=10.8136(2) A, {beta}=99.437(2), Z=8) belongs to the Li{sub 2}RuO{sub 3}-structure type, being the layered variant of the NaCl structure, where the layers of octahedral interstices filled with Na{sup +} and Pd{sup 4+} cations (NaPd{sub 2}O{sub 6} slabs) alternate with Na{sub 3} layers along the c-axis.

  15. 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.

  16. 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.

  17. SEGR in SiO$${}_2$$ –Si$_3$ N$_4$ Stacks

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

    Javanainen, Arto; Ferlet-Cavrois, Veronique; Bosser, Alexandre; Jaatinen, Jukka; Kettunen, Heikki; Muschitiello, Michele; Pintacuda, Francesco; Rossi, Mikko; Schwank, James R.; Shaneyfelt, Marty R.; et al

    2014-04-17

    This work presents experimental SEGR data for MOS-devices, where the gate dielectrics are are made of stacked SiO2–Si3N4 structures. Also a semi-empirical model for predicting the critical gate voltage in these structures under heavy-ion exposure is proposed. Then statistical interrelationship between SEGR cross-section data and simulated energy deposition probabilities in thin dielectric layers is discussed.

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

    SciTech Connect (OSTI)

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

    2013-12-15

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

  19. A two-fold interpenetrating 3D metal-organic framework material constructed from helical chains linked via 4,4'-H{sub 2}bpz fragments

    SciTech Connect (OSTI)

    Xie Yiming; Zhao Zhenguo; Wu Xiaoyuan; Zhang Qisheng; Chen Lijuan; Wang Fei; Chen Shanci; Lu Canzhong

    2008-12-15

    A 3-connected dia-f-type metal-organic framework compound {l_brace}[Ag(L){sub 3/2}H{sub 2}PO{sub 4}]{r_brace}{sub n} (1) has been synthesized by self-assembly of 4,4'-H{sub 2}bpz (L=4,4'-H{sub 2}bpz=3,3',5,5'-tetramethyl-4,4'-bipyrazole) and Ag{sub 4}P{sub 2}O{sub 7} under hydrothermal conditions. It crystallizes in the tetragonal space group I4{sub 1}/acd with a=21.406(4) A, b=21.406(4) A, c=36.298(8) A, Z=32. X-ray single-crystal diffraction reveals that 1 has a three-dimensional framework with an unprecedented alternate left- and right-handed helices structure, featuring a non-uniform two-fold interpenetrated (4.14{sup 2}) net. Photoluminescent investigation reveals that the title compound displays interesting emissions in a wide region, which shows that the title compound may be a good potential candidate as a photoelectric material. - Graphical abstract: A 3-connected dia-f-type metal-organic framework compound [Ag(4,4'-bpz){sub 3/2}H{sub 2}PO{sub 4}] shows unprecedented alternating left- and right-handed helices structure, featuring a non-uniform two-fold interpenetrated (4.14{sup 2}) net.

  20. BEAMLINE 4-3

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

    4-3 CURRENT STATUS: Open SUPPORTED TECHNIQUES: X-ray Absorption Spectroscopy MAIN SCIENTIFIC DISCIPLINES: Environmental / Materials / Biology % TIME GENERAL USE: 100% SCHEDULING: Proposal Submittal and Scheduling Procedures Current SPEAR and Beam Line Schedules SOURCE: 20-pole, 2.0-Tesla wiggler, 0.75 mrad, side station BEAM LINE SPECIFICATIONS: energy range resolution DE/E spot size flux angular acceptance unfocused 2400-14000 eV 10-4 3 x 16 mm 0.75 mrad OPTICS: M0 mirror: Flat, bent vertically

  1. Test documentation for converting TWRS baseline data from RDD-100 V3.0.2.2 to V4.0.3. Revision 1

    SciTech Connect (OSTI)

    Gneiting, B.C.; Johnston, M.E.

    1996-05-03

    This document describes the test documentation required for converting between two versions of the RDD-100 software application, specifically version 3.0.2.2 and version 4.0.3. The area of focus in the successful conversion of the master data set between two versions of the database tool and their corresponding data structures.

  2. updated_supplemental_lists_1h-2h-3g- 11-4-2011.xlsx | Department of Energy

    Energy Savers [EERE]

    h-2h-3g- 11-4-2011.xlsx updated_supplemental_lists_1h-2h-3g- 11-4-2011.xlsx File updated_supplemental_lists_1h-2h-3g- 11-4-2011.xlsx More Documents & Publications updated_supplemental_lists_1n-2n-3m_07-06-2012.xlsx updated_supplemental_lists_1p_2p_3o_04302013.xlsx updated_supplemental_lists_1j-2j-3i_12-22

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

    SciTech Connect (OSTI)

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

    2013-12-15

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

  4. Synthesis and crystal structure of a copper complex with (E)-2-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-3, 4-dihydronaphthalen-1(2H)-one ligand

    SciTech Connect (OSTI)

    Sun, Shu-Wen; Zhang, Xiao; Wang, Gao-Feng

    2015-12-15

    The title compound, C{sub 35}H{sub 23}CuF{sub 6}N{sub 3}O{sub 5}S{sub 2} (1), was synthesized by the reaction of Cu(tta){sub 2} and L{sup 1}, (L{sup 1} = (E)-2-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-3, 4-dihydronaphthalen-1(2H)-one) in the dichloromethane solution. It crystallizes in the monoclinic, space group P2{sub 1}/c with a = 33.8388(5), b = 9.3874(2), c = 21.8194(4) Å, β = 95.522(2), V = 6898.9(2) Å{sup 3}, Z = 8, D{sub x} = 1.554 Mg/m{sup 3}, F(000) = 3272, µ = 0.834 mm{sup –1}, R{sub 1} = 0.0639, wR{sub 2} = 0.1637. The copper(II) ion of 1 is in a distorted square-pyramidal environment with four O atoms of the two tta ligands and one N atom of triazole ligand L{sup 1}. Single-crystal X-ray diffraction data revealed that the hydrogen bonds, weak C–H···π and π···π interactions in the crystals link the coordination units to form 3D supramolecular structures.

  5. A new low-voltage plateau of Na3V2(PO4)(3) as an anode for Na-ion batteries

    SciTech Connect (OSTI)

    Jian, ZL; Sun, Y; Ji, XL

    2015-01-01

    A low-voltage plateau at similar to 0.3 V is discovered for the deep sodiation of Na3V2(PO4)(3) by combined computational and experimental studies. This new low-voltage plateau doubles the sodiation capacity of Na3V2(PO4)(3), thus turning it into a promising anode for Na-ion batteries.

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

    SciTech Connect (OSTI)

    Paul D. Bayless

    2014-06-01

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

  7. Stress analysis of single port (ISB) jumper connectors for 2-, 3-, and 4-in. sizes

    SciTech Connect (OSTI)

    Islam, M.A.; Julyk, J.L.; Weiner, E.O. [ICF Kaiser Hanford Co., Richland, WA (United States)

    1995-05-26

    Jumper connectors are used in the Hanford site for remotely connecting jumper pipe lines in the radioactive zones. The jumper pipes are used for transporting radioactive fluids and hazardous chemicals. This report evaluates the adequacy and the integrity of the 2-, 3-, and 4-in. single-port integral seal block (ISB) jumper connector assemblies, as well as the three-way 2-in. configuration. The evaluation considers limiting forces from the piping to the nozzle. A stress evaluation of the jumper components (hook, hook pin, operating screw, nozzle and nozzle flange, and block) under operational (pressure, thermal, dead weight, and axial torquing of the jumper) and seismic loading is addressed in the report.

  8. 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.

  9. Preparation and properties of (R)-(-)-1-azabicyclo(2. 2. 2)oct-3-yl- (R)-(+)-alpha-hydroxy-alpha-(4-( sup 125 I)iodophenyl)-alpha-phenyl acetate and (R)-(-)-1-azabicyclo(2. 2. 2)oct-3-yl-(S)-(-)-alpha-hydroxy-alpha- (4-( sup 125 I)iodophenyl)-alpha-phenyl acetate as potential radiopharmaceuticals

    SciTech Connect (OSTI)

    Cohen, V.I.; Rzeszotarski, W.J.; Gibson, R.E.; Fan, L.H.; Reba, R.C. )

    1989-10-01

    rac-4-Nitrobenzilic acid was synthesized and resolved with quinidine and quinine to give the corresponding (R)- and (S)-salts. The resolved diastereomeric salts were converted to (R)- and (S)-4-nitrobenzilic acids and subsequent esterification gave their corresponding ethyl esters. Transesterification with (R)-(-)-3-quinuclidinol afforded (R)-(-)-1-azabicyclo(2.2.2)oct-3-yl-(R)-(+)-alpha-hydroxy-alpha- (4-nitrophenyl)-alpha-phenyl acetate and (R)-(-)-1-azabicyclo(2.2.2)oct-3-yl-(S)-(-)-alpha-hydroxy- alpha-(4-nitrophenyl)-alpha-phenyl acetate. After hydrogenation, the (R,R)- and (R,S)-amines were converted to the respective triazene derivatives. The triazene derivatives reacted with sodium ({sup 125}I)iodide to give (R)-(-)-1-azabicyclo(2.2.2)oct-3-yl-(R)-(+)- alpha-hydroxy-alpha-(4-({sup 125}I)iodophenyl)-alpha-phenyl acetate and (R)-(-)-1-azabicyclo(2.2.2)oct-3-yl-(S)-(-)-alpha-hydroxy- alpha-(4-(125I)iodophenyl)-alpha-phenyl acetate. The evaluation of their affinities to muscarinic acetylcholine receptors (MAcChR) shows that (R)-(-)-1-azabicyclo(2.2.2)oct-3-yl-(S)-(-)-alpha-hydroxy-alpha-(4- ({sup 125}I)iodophenyl)-alpha-phenyl acetate exhibits an affinity for the MAcChR from corpus striatum that is approximately threefold lower than that of (R)-(-)-1-azabicyclo(2.2.2)oct-3-yl-(R)-(+)-alpha-hydroxy-alpha-(4- ({sup 125}I)iodophenyl)-alpha-phenyl acetate.

  10. 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.

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

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

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

    2016-04-07

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

  12. Reaction-bonding preparation of Si{sub 3}N{sub 4}/MoSi{sub 2} and Si{sub 3}N{sub 4}/WSi{sub 2} composites from elemental powders

    SciTech Connect (OSTI)

    Zhang, B.R.; Marino, F.

    1997-01-01

    Si{sub 3}N{sub 4}/MoSi{sub 2} and Si{sub 3}N{sub 4}/WSi{sub 2} composites were prepared by reaction-bonding processes using as starting materials powder mixtures of Si-Mo and Si-W, respectively. A presintering step in an Ar-base atmosphere was used before nitriding for the formation of MoSi{sub 2} and WSi{sub 2}; the nitridation in a N{sub 2}-base atmosphere was followed after presintering with the total stepwise cycle of 1,350 C {times} 20 h + 1,400 C {times} 20 h + 1,450 C {times} 2 h. The final phases obtained in the two different composites were Si{sub 3}N{sub 4} and MoSi{sub 2} or WSi{sub 2}; no free elemental Si and Mo or W were detected by X-ray diffraction.

  13. Beamline 3.3.2

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

    3.3.2 Print General x-ray testing station GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 4-20 keV Monochromator...

  14. 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.

  15. Physicochemical properties of Dy/sup 3 +/ in single KY(MoO/sub 4/)/sub 2/

    Office of Scientific and Technical Information (OSTI)

    crystal (electron absorption, emission, IR, Raman, and magnetic data) (Journal Article) | SciTech Connect Physicochemical properties of Dy/sup 3 +/ in single KY(MoO/sub 4/)/sub 2/ crystal (electron absorption, emission, IR, Raman, and magnetic data) Citation Details In-Document Search Title: Physicochemical properties of Dy/sup 3 +/ in single KY(MoO/sub 4/)/sub 2/ crystal (electron absorption, emission, IR, Raman, and magnetic data) Electron absorption, luminescence, vibrational, and

  16. 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

  17. Neutron scattering studies of the H2a-H2b and (H3-H4)/sub 2/ histone complexes

    SciTech Connect (OSTI)

    Carlson, R.D.

    1982-01-01

    Neutron scattering experiments have shown that both the (H3-H4)/sub 2/ and H2a-H2b histone complexes are quite asymmetric in solution. The (H3-H4)/sub 2/ tetramer is an oblate or flattened structure, with a radius of gyration almost as large as that of the core octamer. If the tetramer is primarily globular, it must have an axial ratio of about 1:5. It is more likely, however, that this asymmetry results in part from N-terminal arms that extend outward approximately within the major plane of the particle. If this is the case, less asymmetric models for the globular part of the tetramer, including a dislocated disk, can be made consistent with the scattering data. The H2a-H2b dimer, on the other hand, is an elongated structure. 48 references, 12 figures, 1 table.

  18. 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...

  19. Li{sub 2}B{sub 3}O{sub 4}F{sub 3}, a new lithium-rich fluorooxoborate

    SciTech Connect (OSTI)

    Pilz, Thomas; Nuss, Hanne; Jansen, Martin

    2012-02-15

    The new lithium fluorooxoborate, Li{sub 2}B{sub 3}O{sub 4}F{sub 3}, is obtained by a solid state reaction from LiBO{sub 2} and LiBF{sub 4} at 553 K and crystallizes in the acentric orthorhombic space group P2{sub 1}2{sub 1}2{sub 1} (no. 19) with the cell parameters a=4.8915(9), b=8.734(2), and c=12.301(2) A. Chains of fluorinated boroxine rings along the b axis consists of BO{sub 3} triangles and BO{sub 2}F{sub 2} as well as BO{sub 3}F tetrahedra. Mobile lithium ions are compensating the negative charge of the anionic chain, in which the fourfold coordinated boron atoms bear a negative formal charge. Annealing Li{sub 2}B{sub 3}O{sub 4}F{sub 3} at temperatures above 573 K leads to conversion into Li{sub 2}B{sub 6}O{sub 9}F{sub 2}. The title compound is an ionic conductor with the highest ion conductivity among the hitherto know lithium fluorooxoborates, with conductivities of 1.6 Multiplication-Sign 10{sup -9} and 1.8 Multiplication-Sign 10{sup -8} S cm{sup -1} at 473 and 523 K, respectively. - Graphical abstract: Repetition unit of Li{sub 2}B{sub 3}O{sub 4}F{sub 3}. Highlights: Black-Right-Pointing-Pointer Li{sub 2}B{sub 3}O{sub 4}F{sub 3} is the third member within the family of lithium fluorooxoborates. Black-Right-Pointing-Pointer It shows the highest lithium ion conductivity among them. Black-Right-Pointing-Pointer Chains of interconnected fluorinated boroxine rings run along the b axis. Black-Right-Pointing-Pointer Acentric space group meets the requirement for second harmonic generation.

  20. 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.

  1. AGR-2 AND AGR-3/4 RELEASE-TO-BIRTH RATIO DATA ANALYSIS

    SciTech Connect (OSTI)

    Pham, Binh T; Einerson, Jeffrey J; Scates, Dawn M; Maki, John T; Petti, David A

    2014-09-01

    A series of Advanced Gas Reactor (AGR) irradiation tests is being conducted in the Advanced Test Reactor at Idaho National Laboratory in support of development and qualification of tristructural isotropic (TRISO) low enriched fuel used in the High Temperature Gas-cooled Reactor (HTGR). Each AGR test consists of multiple independently controlled and monitored capsules containing fuel compacts placed in a graphite cylinder shrouded by a steel shell. These capsules are instrumented with thermocouples embedded in the graphite enabling temperature control. AGR configuration and irradiation conditions are based on prismatic HTGR technology distinguished primarily by the use of helium coolant, a low-power-density ceramic core capable of withstanding very high temperatures, and TRISO coated particle fuel. Thus, these tests provide valuable irradiation performance data to support fuel process development, qualify fuel for normal operating conditions, and support development and validation of fuel performance and fission product transport models and codes. The release-rate-to-birth-rate ratio (R/B) for each of fission product isotopes (i.e., krypton and xenon) is calculated from release rates in the sweep gas flow measured by the germanium detectors used in the AGR Fission Product Monitoring (FPM) System installed downstream from each irradiated capsule. Birth rates are calculated based on the fission power in the experiment and fission product generation models. Thus, this R/B is a measure of the ability of fuel kernel, particle coating layers, and compact matrix to retain fission gas atoms preventing their release into the sweep gas flow, especially in the event of particle coating failures that occurred during AGR-2 and AGR-3/4 irradiations. The major factors that govern gaseous radioactive decay, diffusion, and release processes are found to be material diffusion coefficient, temperature, and isotopic decay constant. For each of all AGR capsules, ABAQUS-based three-dimensional finite-element thermal models are created to predict daily averages of fuel compact temperatures for the entire irradiation period, which are used in establishing the R/B correlation with temperature and decay constant. This correlation can be used by reactor designers to estimate fission gas release from postulated failed fuel particles in HTGR cores, which is the key safety factor for fuel performance assessment.

  2. 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.

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

    DOE Patents [OSTI]

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

    1980-01-01

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

  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...

  5. Beamline 4.0.3

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

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

  6. Beamline 4.0.3

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

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

  7. Beamline 4.0.3

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

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

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

    DOE Patents [OSTI]

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

    2002-01-01

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

  9. Beamline 3.3.2

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

    3.3.2 Print General x-ray testing station GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 4-20 keV Monochromator Si(111) Endstations Hutch with 2 x 3 ft optical table Calculated spot size at sample Up to 30 x 10 mm Sample format Mount off optical table Sample environment Ambient, air Scientific disciplines Applied science Scientific applications Semiconductor characterization Spokesperson This e-mail address is being protected

  10. Beamline 3.3.2

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

    3.3.2 Print General x-ray testing station GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 4-20 keV Monochromator Si(111) Endstations Hutch with 2 x 3 ft optical table Calculated spot size at sample Up to 30 x 10 mm Sample format Mount off optical table Sample environment Ambient, air Scientific disciplines Applied science Scientific applications Semiconductor characterization Spokesperson This e-mail address is being protected

  11. Beamline 3.3.2

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

    3.3.2 Print General x-ray testing station GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 4-20 keV Monochromator Si(111) Endstations Hutch with 2 x 3 ft optical table Calculated spot size at sample Up to 30 x 10 mm Sample format Mount off optical table Sample environment Ambient, air Scientific disciplines Applied science Scientific applications Semiconductor characterization Spokesperson This e-mail address is being protected

  12. Combustion synthesized nanocrystalline Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C cathode for lithium-ion batteries

    SciTech Connect (OSTI)

    Nathiya, K.; Bhuvaneswari, D.; Gangulibabu; Kalaiselvi, N.

    2012-12-15

    Graphical abstract: Nanocrystalline Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C compound has been synthesized using a novel corn assisted combustion (CAC) method, wherein the composite prepared at 850 °C is found to exhibit superior physical and electrochemical properties than the one synthesized at 800 °C (Fig. 1). Despite the charge disproportionation of V{sup 4+} and a possible solid solution behavior of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} cathode upon insertion and de-insertion of Li{sup +} ions, the structural stability of the same is appreciable, even with the extraction of third lithium at 4.6 V (Fig. 2). An appreciable specific capacity of 174 mAh g{sup −1} with an excellent columbic efficiency (99%) and better capacity retention upon high rate applications have been exhibited by Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C cathode, thus demonstrating the feasibility of CAC method in preparing the title compound to best suit with the needs of lithium battery applications. Display Omitted Highlights: ► Novel corn assisted combustion method has been used to synthesize Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C. ► Corn is a cheap and eco benign combustible fuel to facilitate CAC synthesis. ► Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C exhibits an appreciable specific capacity of 174 mAh g{sup −1} (C/10 rate). ► Currently observed columbic efficiency of 99% is better than the reported behavior. ► Suitability of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C cathode up to 10C rate is demonstrated. -- Abstract: Nanocrystalline Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C composite synthesized using a novel corn assisted combustion method at 850 °C exhibits superior physical and electrochemical properties than the one synthesized at 800 °C. Despite the charge disproportionation of V{sup 4+} and a possible solid solution behavior of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} cathode upon insertion and extraction of Li{sup +} ions, the structural stability of the same is appreciable, even with the extraction of third lithium at 4.6 V. An appreciable specific capacity of 174 mAh g{sup −1} and better capacity retention upon high rate applications have been exhibited by Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C cathode, thus demonstrating the suitability of the same for lithium-ion battery applications.

  13. Fuel performance improvement program: description and characterization of HBWR Series H-2, H-3, and H-4 test rods

    SciTech Connect (OSTI)

    Guenther, R.J.; Barner, J.O.; Welty, R.K.

    1980-03-01

    The fabrication process and as-built characteristics of the HBWR Series H-2 and H-3 test rods, as well as the three packed-particle (sphere-pac) rods in HBWR Series H-4 are described. The HBWR Series H-2, H-3, and H-4 tests are part of the irradiation test program of the Fuel Performance Improvement Program. Fifteen rods were fabricated for the three test series. Rod designs include: (1) a reference dished pellet design incorporating chamfered edges, (2) a chamfered, annular pellet design combined with graphite-coated cladding, and (3) a sphere-pac design. Both the annular-coated and sphere-pac designs include internal pressurization using helium.

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

    SciTech Connect (OSTI)

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

    2014-08-01

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

  15. Effects of Mg doping on the remarkably enhanced electrochemical performance of Na3V2(PO4)3 cathode materials for sodium ion batteries

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

    Li, Hui; Yu, Xiqian; Bai, Ying; Wu, Feng; Wu, Chuan; Liu, Liang-Yu; Yang, Xiao-Qing

    2015-01-01

    Na3V2-xMgx(PO4)3/C composites with different Mg2+ doping contents (x=0, 0.01, 0.03, 0.05, 0.07 and 0.1) were prepared by a facile sol-gel method. The doping effects on the crystal structure were investigated by XRD, XPS and EXAFS. The results show that low dose doping Mg2+ does not alter the structure of the material, and magnesium is successfully substituted for vanadium site. The Mg doped Na3V2-xMgx(PO4)3/C composites exhibit significant improvements on the electrochemistry performances in terms of the rate capability and cycle performance, especially for the Na3V1.95Mg0.05(PO4)3/C. For example, when the current density increased from 1 C to 30 C, the specific capacitymore » only decreased from 112.5 mAh g-1 to 94.2 mAh g-1 showing very good rate capability. Moreover, even cycling at a high rate of 20 C, an excellent capacity retention of 81% is maintained from the initial value of 106.4 mAh g-1 to 86.2 mAh g-1 at the 50th cycle. Enhanced rate capability and cycle performance can be attributed to the optimized particle size, structural stability and enhanced ionic and electronic conductivity induced by Mg doping.« less

  16. Quantum reactive scattering of O({sup 3}P)+H{sub 2} at collision energies up to 4.4 eV

    SciTech Connect (OSTI)

    Gacesa, Marko; Kharchenko, Vasili

    2014-10-28

    We report the results of quantum scattering calculations for the O({sup 3}P)+H{sub 2} reaction for a range of collision energies from 0.4 to 4.4 eV, important for astrophysical and atmospheric processes. The total and state-to-state reactive cross sections are calculated using a fully quantum time-independent coupled-channel approach on recent potential energy surfaces of {sup 3}A{sup ?} and {sup 3}A{sup ?} symmetry. A larger basis set than in the previous studies was used to ensure single-surface convergence at higher energies. Our results agree well with the published data at lower energies and indicate the breakdown of reduced dimensionality approach at collision energies higher than 1.5 eV. Differential cross sections and momentum transfer cross sections are also reported.

  17. Production of {sup 4}He, {sup 3}He, and tritium from Be irradiated in FFTF-MOTA-2B

    SciTech Connect (OSTI)

    Greenwood, L.R.

    1998-03-01

    The production of {sup 4}He, {sup 3}He, and tritium has been calculated for beryllium irradiated in the Materials Open Test Assembly (MOTA)-2B experiment in the Fast Flux Test Facility (FFTF). Reaction rates were based on adjusted neutron spectra determined from reactor dosimetry measurements at seven different elevations in the irradiation assembly. Equations are given so that gas production, dpa, and neutron fluences can be calculated for any specific elevation in the MOTA-2B assembly.

  18. Alternative current conduction mechanisms of organic-inorganic compound [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4}

    SciTech Connect (OSTI)

    Ben Bechir, M. Karoui, K.; Guidara, K.; Ben Rhaiem, A.; Tabellout, M.

    2014-04-21

    [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} has been studied by X-ray powder diffraction patterns, differential scanning calorimetry (DSC), and impedance spectroscopy. The [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} hybrid compound is crystallized at room temperature (T ? 300?K) in the orthorhombic system with Pnma space group. Five phase transitions (T{sub 1}?=?255?K, T{sub 2}?=?282?K, T{sub 3}?=?302?K, T{sub 4}?=?320?K, and T{sub 5}?=?346?K) have been proved by DSC measurements. The electrical technique was measured in the 10{sup ?1}-10{sup 7}?Hz frequency range and 233363?K temperature interval. The frequency dependence of alternative current (AC) conductivity is interpreted in terms of Jonscher's law. The AC electrical conduction in [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} is analyzed by different processes, which can be attributed to several models: the correlated barrier hopping model in phase I, the overlapping large polaron tunneling model in phase II, the quantum mechanical tunneling model in phase IV, and the non-overlapping small polaron tunneling model in phases III, V, and VI. The conduction mechanism is studied with the help of Elliot's theory, and the Elliot's parameters are determined.

  19. trans-K3[TcO2(CN)4

    SciTech Connect (OSTI)

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

    2010-07-14

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

  20. Beamline 1.4.3

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

    Beamline 1.4.3 Beamline 1.4.3 Print Tuesday, 20 October 2009 08:08 FTIR spectromicroscopy Scientific disciplines: Biology, correlated electron systems, environmental science, geology, chemistry, polymers, soft materials GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 0.05-1.2 eV Frequency range 650 - 10,000 cm-1 Interferometer resolution Up to 0.125 cm-1 Endstations Nicolet Magna 760 FTIR, Nic-Plan IR Microscope (N2 purged) Characteristics Motorized

  1. Beamline 4.0.3

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

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

  2. Beamline 4.0.3

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

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

  3. Beamline 4.0.3

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

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

  4. Beamline 4.0.3

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

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

  5. Beamline 4.0.3

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

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

  6. Beamline 4.0.3

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

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

  7. Beamline 4.0.3

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

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

  8. Alternative current conduction mechanisms of organic-inorganic compound [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4}

    SciTech Connect (OSTI)

    Ben Bechir, M. Karoui, K.; Guidara, K.; Ben Rhaiem, A.; Tabellout, M.

    2014-05-28

    The [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} single crystal has been analyzed by X-ray powder diffraction patterns, differential scanning calorimetry (DSC), and electrical impedance spectroscopy. [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} crystallizes at room temperature in the monoclinic system with P2{sub 1}/{sub C} space group. Three phase transitions at T{sub 1}?=?226?K, T{sub 2}?=?264?K, and T{sub 3}?=?297?K have been evidenced by DSC measurements. The electrical technique was measured in the 10{sup ?1}10{sup 7}?Hz frequency range and 203313?K temperature intervals. The frequency dependence of alternative current (AC) conductivity is interpreted in terms of Jonscher's law (developed). The AC electrical conduction in [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} compound is studied by two processes which can be attributed to a hopping transport mechanism: the correlated barrier hopping model in phases I, II, and III, the non-overlapping small polaron tunneling model in phase IV. The conduction mechanism is interpreted with the help of Elliot's theory, and the Elliot's parameters are found.

  9. Methanol Synthesis from CO2 Hydrogenation over a Pd4/In2O3 Model Catalyst: A Combined DFT and Kinetic Study

    SciTech Connect (OSTI)

    Ye, Jingyun; Liu, Changjun; Mei, Donghai; Ge, Qingfeng

    2014-08-01

    Methanol synthesis from CO2 hydrogenation on Pd4/In2O3 has been investigated using density functional theory (DFT) and microkinetic modeling. In this study, three possible routes in the reaction network of CO2 + H2 ? CH3OH + H2O have been examined. Our DFT results show that the HCOO route competes with the RWGS route whereas a high activation barrier kinetically blocks the HCOOH route. DFT results also suggest that H2COO* + H* ? H2CO* +OH* and cis-COOH* + H* ?CO* + H2O* are the rate limiting steps in the HCOO route and the RWGS route, respectively. Microkinetic modeling results demonstrate that the HCOO route is the dominant reaction route for methanol synthesis from CO2 hydrogenation. We found that the activation of H adatom on the small Pd cluster and the presence of H2O on the In2O3 substrate play important roles in promoting the methanol synthesis. The hydroxyl adsorbed at the interface of Pd4/In2O3 induces the transformation of the supported Pd4 cluster from a butterfly structure into a tetrahedron structure. This important structure change not only indicates the dynamical nature of the supported nanoparticle catalyst structure during the reaction but also shifts the final hydrogenation step from H2COH to CH3O.

  10. Synthesis and crystal structure of a new open-framework iron phosphate (NH{sub 4}){sub 4}Fe{sub 3}(OH){sub 2}F{sub 2}[H{sub 3}(PO{sub 4}){sub 4}]: Novel linear trimer of corner-sharing Fe(III) octahedra

    SciTech Connect (OSTI)

    Mi, Jin-Xiao; Wang, Cheng-Xin; Chen, Ning; Li, Rong; Pan, Yuanming

    2010-12-15

    A new iron phosphate (NH{sub 4}){sub 4}Fe{sub 3}(OH){sub 2}F{sub 2}[H{sub 3}(PO{sub 4}){sub 4}] has been synthesized hydrothermally at HF concentrations from 0.5 to 1.2 mL. Single-crystal X-ray diffraction analysis reveals its three-dimensional open-framework structure (monoclinic, space group P2{sub 1}/n (No. 14), a=6.2614(13) A, b=9.844(2) A, c=14.271(3) A, {beta}=92.11(1){sup o}, V=879.0(3) A{sup 3}). This structure is built from isolated linear trimers of corner-sharing Fe(III) octahedra, which are linked by (PO{sub 4}) groups to form ten-membered-ring channels along [1 0 0]. This isolated, linear trimer of corner-sharing Fe(III) octahedra, [(FeO{sub 4}){sub 3}(OH){sub 2}F{sub 2}], is new and adds to the diverse linkages of Fe polyhedra as secondary building units in iron phosphates. The trivalent iron at octahedral sites for the title compound has been confirmed by synchrotron Fe K-edge XANES spectra and magnetic measurements. Magnetic measurements also show that this compound exhibit a strong antiferromagnetic exchange below T{sub N}=17 K, consistent with superexchange interactions expected for the linear trimer of ferric octahedra with the Fe-F-Fe angle of 132.5{sup o}. -- Graphical abstract: The three-dimensional open-framework structure of (NH{sub 4}){sub 4}Fe{sub 3}(OH){sub 2}F{sub 2}[H{sub 3}(PO{sub 4}){sub 4}] is built from a novel isolated, linear (FeO{sub 4}){sub 3}(OH){sub 2}F{sub 2} trimer of corner-sharing Fe(III) octahedra linked by PO{sub 4} tetrahedra. Display Omitted

  11. Synthesis and crystal structure of (NH{sub 4}){sub 3}[UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 2}[UO{sub 2}(CH{sub 3}COO)(NCS){sub 2}(H{sub 2}O)

    SciTech Connect (OSTI)

    Serezhkina, L. B.; Peresypkina, E. V.; Virovets, A. V.; Karasev, M. O.

    2010-01-15

    Single crystals of the compound (NH{sub 4}){sub 3}[UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 2}[UO{sub 2}(CH{sub 3}COO)(NCS){sub 2}(H{sub 2}O)] (I) are synthesized, and their structure is investigated using X-ray diffraction. Compound I crystallizes in the monoclinic system with the unit cell parameters a = 18.3414(6) A, b = 16.3858(7) A, c = 12.4183(5) A, {beta} = 92.992(1){sup o}, space group C2/c, Z = 4, V = 3727.1(3) A{sup 3}, and R = 0.0253. The uranium-containing structural units of crystals I are mononuclear complexes of two types with an island structure, i.e., the [UO{sub 2}(CH{sub 3}COO){sub 3}]{sup -} anionic complexes belonging to the crystal-chemical group (AB{sub 3}{sup 01} = UO{sub 2}{sup 2+}, B{sup 01} = CH{sub 3}COO{sup -}) of the uranyl complexes and the [UO{sub 2}(CH{sub 3}COO)(NCS){sub 2}(H{sub 2}O)]{sup -} anionic complexes belonging to the crystal-chemical group AB{sup 01}M{sub 3}{sup 1} (A = UO{sub 2}{sup 2+}, B{sup 01} = CH{sub 3}COO{sup -}, M{sup 1} = NCS{sup -} or H{sub 2}O).

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

    SciTech Connect (OSTI)

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

    2011-06-15

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

  13. Synthesis, characterization and magnetic property of a new 3D iron phosphite: |C{sub 4}N{sub 3}H{sub 14}|[Fe{sub 3}(HPO{sub 3}){sub 4}F{sub 2}(H{sub 2}O){sub 2}] with intersecting channels

    SciTech Connect (OSTI)

    Qiao Jian; Zhang Lirong; Yu Yang; Li Guanghua; Jiang Tianchan; Huo Qisheng; Liu Yunling

    2009-07-15

    A new open-framework iron (III) phosphite |C{sub 4}N{sub 3}H{sub 14}|[Fe{sub 3}(HPO{sub 3}){sub 4}F{sub 2}(H{sub 2}O){sub 2}] has been solvothermally synthesized by using diethylenetriamine (DETA) as the structure-directing agent. Single-crystal X-ray diffraction analysis reveals that the compound crystallizes in the monoclinic space group C2/c having unit cell parameters a=12.877(3) A, b=12.170(2) A, c=12.159(2) A, beta=93.99(3){sup o}, V=1900.9(7) A{sup 3}, and Z=4 with R{sub 1}=0.0447, wR{sub 2}=0.0958. The complex structure consists of HPO{sub 3} pseudo-tetrahedra and {l_brace}Fe{sub 3}O{sub 14}F{sub 2}{r_brace} trimer building units. The assembly of these building units generates 3D inorganic framework with intersecting 6-, 8-, and 10-ring channels. The DETA cations are located in the 10-ring channels linked by hydrogen bonds. The Moessbauer spectrum shows that there exhibit two crystallographically independent iron (III) atoms. And the magnetic investigation shows the presence of antiferromagnetic interactions. Further characterization of the title compound was performed using X-ray powder diffraction (XRD), infrared (IR) spectra, thermal gravimetric analyses (TGA), inductively coupled plasma (ICP) and elemental analyses. - Graphical abstract: A new three-dimensional iron phosphite with intersecting 6-, 8-, 10-ring channels has been solvothermally synthesized by using diethylenetriamine (DETA) as the structure-directing agent.

  14. Crystal and molecular structures of the 4-(1H)-pyridone (=L) lanthanide complexes [l brace][GdL(NO[sub 3])[sub 3](H[sub 2]O)][center dot]CH[sub 3]OH[r brace][sub 2] and [DyL[sub 4](NO[sub 3])[sub 2

    SciTech Connect (OSTI)

    Goodgame, D.M.L.; Lalia-Kantouri, M.; Williams, D.J. )

    1993-05-01

    The crystal structures of the title compounds have been determined by single crystal diffraction methods. Crystals of the dysprosium compound are monoclinic, space group P2[sub 1]/c with a = 14.133(4), b = 13.438(5), c = 14.401(4) [Angstrom], [beta] = 103.98(2)[degrees], V = 2654(1) [Angstrom][sup 3], Z = 4, D[sub c] = 1.82 g cm[sup [minus]3], final R = 0.035. The Dy atom is eight-coordinate with a distorted dodecahedral coordination geometry involving two bidentate nitrate groups and four pyridone oxygen atoms. An erbium complex with analogous stoichiometry was also prepared but not structurally characterized. Crystals of the Gd compound are monoclinic, space group P2[sub 1]/n, with a = 11.226(2), b = 9.075(2), c = 16.737(3) [Angstrom], [beta] = 93.88(3)[degrees], V = 1701(1) [Angstrom][sup 3], Z = 2, D[sub c] = 1.91 g cm[sup [minus]3], final R = 0.042. Each Gd atom is bonded to one pyridone oxygen atom, a water molecule and three bidentate nitrate groups. An oxygen atom of one of the bidentate nitrates additionally serves to bridge pairs of Gd atoms so as to form a dinuclear complex in which each Gd atom is nine-coordinate with a tricapped trigonal prismatic geometry. Crystals of L[sub 2]HNO[sub 3] are monoclinic, space group I2/a with a = 12.479(4), b = 6.535(2), c = 14.297(6) [Angstrom], [beta] = 96.07(3)[degrees], V = 1159(1) [Angstrom][sup 3], Z = 4, D[sub c] = 1.45 g cm[sup [minus]3], final R = 0.057. The pyridones are linked in pairs by very short (2.44 [Angstrom]) symmetrical O[center dot][center dot][center dot]H[center dot][center dot][center dot]O hydrogen bonds. Each pair is further linked via a nitrate ion by means of N-H[center dot][center dot][center dot]O(nitrate)[center dot][center dot][center dot]H-N hydrogen bonds, so as to form an extended chevron-like pyridone-pyridone-nitrate-pyridone-pyridone array. Adjacent chains are linked via weak C-H[center dot][center dot][center dot]O(NO[sub 3]) interactions. 5 refs., 7 figs., 7 tabs.

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

    SciTech Connect (OSTI)

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

    2013-10-15

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

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

    SciTech Connect (OSTI)

    Paul D. Bayless

    2014-06-01

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

  17. Evidence of Eu{sup 2+} 4f electrons in the valence band spectra of EuTiO{sub 3} and EuZrO{sub 3}

    SciTech Connect (OSTI)

    Kolodiazhnyi, T.; Valant, M.; Williams, J. R.; Bugnet, M.; Botton, G. A.; Ohashi, N.; Sakka, Y.

    2012-10-15

    We report on optical band gap and valence electronic structure of two Eu{sup 2+}-based perovskites, EuTiO{sub 3} and EuZrO{sub 3} as revealed by diffuse optical scattering, electron energy loss spectroscopy, and valence-band x-ray photoelectron spectroscopy. The data show good agreement with the first-principles studies in which the top of the valence band structure is formed by the narrow Eu 4f{sup 7} electron band. The O 2p band shows the features similar to those of the Ba(Sr)TiO{sub 3} perovskites except that it is shifted to higher binding energies. Appearance of the Eu{sup 2+} 4f{sup 7} band is a reason for narrowing of the optical band gap in the title compounds as compared to their Sr-based analogues.

  18. Beamline 1.4.3

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

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

  19. Beamline 1.4.3

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

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

  20. Beamline 1.4.3

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

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

  1. Beamline 1.4.3

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

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

  2. Beamline 1.4.3

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

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

  3. Beamline 1.4.3

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

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

  4. Beamline 1.4.3

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

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

  5. Beamline 1.4.3

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

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

  6. Beamline 1.4.3

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

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

  7. Facile synthesis and characterization of ZnFe{sub 2}O{sub 4}/{alpha}-Fe{sub 2}O{sub 3} composite hollow nanospheres

    SciTech Connect (OSTI)

    Shen, Yu [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024 (China) [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024 (China); School of Environmental and Chemical Engineering, Dalian Jiaotong University, Dalian 116028 (China); Li, Xinyong, E-mail: xyli@dlut.edu.cn [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024 (China) [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024 (China); Department of Chemical Engineering, Curtin University, Perth, WA 6845 (Australia); Zhao, Qidong; Hou, Yang [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024 (China)] [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024 (China); Tade, Moses [Department of Chemical Engineering, Curtin University, Perth, WA 6845 (Australia)] [Department of Chemical Engineering, Curtin University, Perth, WA 6845 (Australia); Liu, Shaomin, E-mail: Shaomin.Liu@curtin.edu.au [Department of Chemical Engineering, Curtin University, Perth, WA 6845 (Australia)] [Department of Chemical Engineering, Curtin University, Perth, WA 6845 (Australia)

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer ZnFe{sub 2}O{sub 4}/{alpha}-Fe{sub 2}O{sub 3} composite hollow nanospheres were successfully synthesized via a facile method. Black-Right-Pointing-Pointer Detailed structural, morphology and the phase composition were studied. Black-Right-Pointing-Pointer The incorporation of ZnFe{sub 2}O{sub 4} and {alpha}-Fe{sub 2}O{sub 3} gives an appropriate band gap value to utilize solar energy. -- Abstract: ZnFe{sub 2}O{sub 4}/{alpha}-Fe{sub 2}O{sub 3} composite hollow nanospheres were successfully fabricated via a facile one-pot solvothermal method, utilizing polyethylene glycol as soft template. X-ray diffraction and scanning electron microscopy analysis revealed that the prepared nanospheres with cubic spinel and rhombohedra composite structure had a uniform diameter of about 370 nm, and the hollow structure could be further confirmed by transmission electron microscopy. Energy dispersive X-ray, X-ray photoelectron spectroscopy and Fourier transform infrared techniques were also applied to characterize the elemental composition and chemical bonds in the hollow nanospheres. The ZnFe{sub 2}O{sub 4}/{alpha}-Fe{sub 2}O{sub 3} composite hollow nanospheres show attractive light absorption property for potential applications in electronics, optics, and catalysis.

  8. Luminescent and lasing characteristics of heavily doped Yb{sup 3+}:KY(WO{sub 4}){sub 2} crystals

    SciTech Connect (OSTI)

    Kisel', V E; Troshin, A E; Shcherbitskii, V G; Kuleshov, N V; Pavlyuk, A A; Brunner, F; Paschotta, R; Morier-Genoud, F; Keller, U

    2006-04-30

    The luminescence decay times are measured taking into account reabsorption for KY(WO{sub 4}){sub 2}:Yb(KYW:Yb) crystals with atomic concentrations of active ions from 0.2% to 30%. The radiative lifetime of Yb{sup 3+} ions was measured to be 233 {mu}s. The cw output power of 1.46 and 1.62 W was achieved with the slope efficiency 52% and 47% for Yb:KYW lasers with the atomic concentration of Yb{sup 3+} ions equal to 10% and 30%, respectively. Using a semiconductor mirror with a saturable absorber (SESAM) in the passive mode-locking regime, pulses of duration 194 and 180 fs were obtained at wavelengths of 1042 and 1039 nm for crystals with Yb{sup 3+} concentrations equal to 10% and 30%, respectively, the average output power being 0.63 and 0.75 W. (lasers and amplifiers)

  9. Epitaxial YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}}/Sr{sub 2}RuO{sub 4} heterostructures

    SciTech Connect (OSTI)

    Schlom, D.G.; Merritt, B.A.; Madhavan, S. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Materials Science and Engineering] [and others

    1997-09-01

    The anisotropic oxide superconductors YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} and Sr{sub 2}RuO{sub 4} have been epitaxially combined in various ways (c-axis on c-axis, c-axis on a-axis, and a-axis on a-axis) though the use of appropriate substrates. Phase-pure a-axis oriented or c-axis oriented epitaxial Sr{sub 2}RuO{sub 4} films were grown by pulsed laser deposition. YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} films were then grown on both orientations of Sr{sub 2}RuO{sub 4} films and the resulting epitaxy was characterized.

  10. GEO-SEQ Subtask 2.3.4: Microseismic Monitoring and Analysis

    SciTech Connect (OSTI)

    Daley, T.; Peterson, J.; Korneev, V.

    2011-03-01

    LBNL's recent analysis of the microseismic data being acquired at well KB-601 has produced a new result of significantly more microseismic activity than previously estimated. During 2009-2010, there was background activity of 1 or 2 events per day with a notable increase during the spring-summer months of up to 20 or more events in a signal day (Figure 1). This level of activity warrants increased effort to obtain quantitative information, and supports plans for expansion of the microseismic monitoring. Quantitative interpretation of these events, including locations, is still hampered by physically unrealistic data from some sensors and uncertainty in which sensors are being recorded and their depth. We now believe that some quantitative analysis will be possible, building upon LBNL's earlier work and analysis conducted by Pinnacle, and utilizing the sledge-hammer tests conducted in the fall of 2010 by the JIP. Current acquisition problems include electrical noise, lack of GPS clock timing, and the sensor uncertainty. To address the acquisition problems, we continue to recommend an active-source recording test with full 144 channel capability (or at least 48 channel). We also recommend a site visit for debugging and repair by a technician knowledgeable in the REF TEK recording system and microseismic acquisition.

  11. Ligand-controlled assembly of Cd(II) coordination polymers based on mixed ligands of naphthalene-dicarboxylate and dipyrido[3,2-d:2',3'-f]quinoxaline: From 0D+1D cocrystal, 2D rectangular network (4,4), to 3D PtS-type architecture

    SciTech Connect (OSTI)

    Liu Guocheng; Chen Yongqiang; Wang Xiuli Chen Baokuan; Lin Hongyan

    2009-03-15

    Three novel Cd(II) coordination polymers, namely, [Cd(Dpq)(1,8-NDC)(H{sub 2}O){sub 2}][Cd(Dpq)(1,8-NDC)].2H{sub 2}O (1), [Cd(Dpq)(1,4-NDC)(H{sub 2}O)] (2), and [Cd(Dpq)(2,6-NDC)] (3) have been obtained from hydrothermal reactions of cadmium(II) nitrate with the mixed ligands dipyrido [3,2-d:2',3'-f]quinoxaline (Dpq) and three structurally related naphthalene-dicarboxylate ligands [1,8-naphthalene-dicarboxylic acid (1,8-H{sub 2}NDC), 1,4-naphthalene-dicarboxylic acid (1,4-H{sub 2}NDC), and 2,6-naphthalene-dicarboxylic acid (2,6-H{sub 2}NDC)]. Single-crystal X-ray diffraction analysis reveals that the three polymers exhibit novel structures due to different naphthalene-dicarboxylic acid. Compound 1 is a novel cocrystal of left- and right-handed helical chains and binuclear complexes and ultimately packed into a 3D supramolecular structure through hydrogen bonds and {pi}-{pi} stacking interactions. Compound 2 shows a 2D rectangular network (4,4) bridged by 1,4-NDC with two kinds of coordination modes and ultimately packed into a 3D supramolecular structure through inter-layer {pi}-{pi} stacking interactions. Compound 3 is a new 3D coordination polymer with distorted PtS-type network. In addition, the title compounds exhibit blue/green emission in solid state at room temperature. - Graphical abstract: Three novel Cd(II) compounds have been synthesized under hydrothermal conditions exhibiting a systematic variation of architecture by the employment of three structurally related naphthalene-dicarboxylate ligands.

  12. Sulfur dioxide gas detection with Na/sub 2/SO/sub 4/-Li/sub 2/SO/sub 4/-Y/sub 2/(SO/sub 4/)/sub 3/-SiO/sub 2/ solid electrolyte by a solid reference electrode method

    SciTech Connect (OSTI)

    Imanaka, N.; Yamaguchi, Y.; Adachi, G.; Shiokawa, J.

    1987-03-01

    The electromotive force (EMF) measurement for a Na/sub 2/SO/sub 4/Li/sub 2/SO/sub 4/-Y/sub 2/(SO/sub 4/)/sub 3/-SiO/sub 2/ solid electrolyte was performed both with NiSO/sub 4/-NiO and CoSO/sub 4/-Co/sub 3/O/sub 4/ solid reference SO/sub 2/ electrodes. The measured EMF coincided well with the calculated EMF for a sulfur dioxide gas concentration from 30 ppm to 1% at 973 K. Good agreement between the measured and calculated EMF was also obtained for the SO/sub 2/ gas content from 100 ppm to 1%, at 923 K with the NiSO/sub 4/-NiO electrode.

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

    SciTech Connect (OSTI)

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

    2013-10-01

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

  14. Enhanced piezoelectric performance of (0.98-x)Bi(Sc{sub 3/4}In{sub 1/4})O{sub 3}-xPbTiO{sub 3}-0.02Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3} ternary high temperature piezoelectric ceramics

    SciTech Connect (OSTI)

    Chen Jianguo; Zhao Tianlong; Cheng Jinrong; Dong Shuxiang

    2013-04-14

    (0.98-x)Bi(Sc{sub 3/4}In{sub 1/4})O{sub 3}-xPbTiO{sub 3}-0.02Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3} (BSI-PT-PZN) high temperature piezoelectric ceramics were prepared by traditional solid-state reaction method. Combining X-ray diffraction results with piezoelectric data, it was found that the morphotropic phase boundary (MPB) occurred at x = 0.575. The piezoelectric constant d{sub 33}, curie temperature T{sub c}, and electromechanical coupling factor k{sub p} of BIS-PT-PZN ceramics with MPB composition were 427 pC/N, 412 Degree-Sign C, and 0.51, respectively. Furthermore, the strain of BIS-PT-PZN ceramics reached up to 0.25% under the electric field of 40 kV/cm. Temperature-dependent electromechanical coupling coefficient for MPB composition was stable from room temperature up to 350 Degree-Sign C. The piezoelectric properties of BIS-PT-PZN ceramics were comparable to that of 0.36BiScO{sub 3}-0.64PbTiO{sub 3} (BS-PT) ceramics, and the piezoelectric constant d{sub 33} of BIS-PT-PZN ceramics was about twice that of our previous reported 0.4Bi(Sc{sub 3/4}In{sub 1/4})O{sub 3}-0.6PbTiO{sub 3} (BSI-PT) ceramics. The reduction in the expensive Sc{sub 2}O{sub 3} content and comparable piezoelectric properties with BS-PT ceramics indicated that BIS-PT-PZN ceramics were promising for commercial applications as high temperature actuators and sensors.

  15. Multifunctional Properties of Cyanate Ester Composites with SiO2 Coated Fe3O4 Fillers

    SciTech Connect (OSTI)

    Sun, Weixing; Sun, Wuzhu; Kessler, Michael R.; Bowler, Nicola; Dennis, Kevin W.; McCallum, R. William; Li, Qi; Tan, Xiaoli

    2013-02-22

    SiO2 coated Fe3O4 submicrometer spherical particles (a conducting core/insulating shell configuration) are fabricated using a hydrothermal method and are loaded at 10 and 20 vol % into a bisphenol E cyanate ester matrix for synthesis of multifunctional composites. The dielectric constant of the resulting composites is found to be enhanced over a wide frequency and temperature range while the low dielectric loss tangent of the neat cyanate ester polymer is largely preserved up to 160 ?C due to the insulating SiO2 coating on individual conductive Fe3O4 submicrometer spheres. These composites also demonstrate high dielectric breakdown strengths at room temperature. Dynamic mechanical analysis indicates that the storage modulus of the composite with a 20 vol % filler loading is twice as high as that of neat resin, but the glass transition temperature considerably decreases with increasing filler content. Magnetic measurements reveal a large saturation magnetization and negligibly low coercivity and remanent magnetization in these composites.

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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

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

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

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

    2011-01-01

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

  2. Poly[{mu}{sub 4}-sulfido-tris(thiocyanato-{kappa}N)-tris({mu}{sub 3}-1,2,4-triazolato-{kappa}{sup 3}N{sup 1}:N{sup 2}:N{sup 4})-tetrazinc(II)] : a three-dimensional zinc sulfide coordination polymer.

    SciTech Connect (OSTI)

    Park, H.; Geiser, U.; Halder, G. J.; Schlueter, J. A.; Materials Science Division

    2008-01-01

    The title compound, [Zn{sub 4}(C{sub 2}H{sub 2}N{sub 3}){sub 3}(NCS){sub 3}S]{sub n}, is a three-dimensional coordination polymer consisting of tetrahedral SZn{sub 4} clusters bridged by triazole ligands. In the tetrahedral unit, three Zn atoms are connected to six bridging triazolate ligands, whereas the fourth Zn atom (site symmetry 3m) is bonded to three terminal thiocyanate anions that protrude into the void space created by the Zn-triazolate network. The network prototype is simple cubic, but a strong distortion along a body diagonal and the imposition of a polar direction by the arrangement of the molecular constituents lead to the trigonal space group R3m. This study demonstrates the use of the 3-mercapto-1,2,4-triazole ligand as an effective source for sulfide ions in the synthesis of sulfide-based coordination polymers.

  3. Facile deposition of Ag{sub 3}PO{sub 4} on graphene-like MoS{sub 2} nanosheets for highly efficient photocatalysis

    SciTech Connect (OSTI)

    Wang, Peifu; Shi, Penghui; Hong, Yuanchen; Zhou, Xuejun; Yao, Weifeng

    2015-02-15

    Graphical abstract: The photocatalytic performance of Ag{sub 3}PO{sub 4} was highly improved by the in situ deposition of Ag{sub 3}PO{sub 4} particles on graphene-like MoS{sub 2} nanosheets. - Highlights: A novel composite photocatalyst was synthesized by depositing Ag{sub 3}PO{sub 4} on the graphene-like MoS{sub 2} nanosheets. Ag{sub 3}PO{sub 4}/MoS{sub 2} photocatalyst exhibited a high photocatalytic activity for RhB degradation. Graphene-like MoS{sub 2} nanosheets. MoS{sub 2} nanosheets play an important role in photocatalytic activity by serving as an effective acceptor of the photogenerated carriers. - Abstract: A facile method for the in situ deposition of Ag{sub 3}PO{sub 4} on graphene-like MoS{sub 2} nanosheets was developed to improve the photocatalytic performance of Ag{sub 3}PO{sub 4} catalysts. The heterostructure of Ag{sub 3}PO{sub 4}/MoS{sub 2} composites was characterized by using X-ray diffraction spectra (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). The prepared Ag{sub 3}PO{sub 4}/MoS{sub 2} photocatalyst exhibited a much higher photocatalytic activity than that of Ag{sub 3}PO{sub 4} for the degradation of Rhodamine B (RhB) under visible light irradiation (>400 nm). The improved photocatalytic activity of Ag{sub 3}PO{sub 4}/MoS{sub 2} is attributed to the efficient separation of photogenerated electronhole pairs in the composite. This result provides a new perspective on the design of high-performance photocatalysts which is promising for energy applications.

  4. Epitaxial growth of (1 1 1)-oriented spinel CoCr{sub 2}O{sub 4}/Al{sub 2}O{sub 3} heterostructures

    SciTech Connect (OSTI)

    Liu, Xiaoran Choudhury, D.; Cao, Yanwei; Middey, S.; Kareev, M.; Meyers, D.; Chakhalian, J.; Kim, J.-W.; Ryan, P.

    2015-02-16

    High quality (1 1 1)-oriented CoCr{sub 2}O{sub 4}/Al{sub 2}O{sub 3} heterostructures were synthesized on the sapphire (0 0 0 1) single crystal substrates by pulsed laser deposition. The structural properties are demonstrated by in-situ reflection high energy electron diffraction, atomic force microscopy, X-ray reflectivity, and X-ray diffraction. X-ray photoemission spectroscopy confirms that the films possess the proper chemical stoichiometry. This work offers a pathway to fabricating spinel type artificial quasi-two-dimensional frustrated lattices by means of geometrical engineering.

  5. Environmental management technology demonstration and commercialization: Tasks 2, 3, 4, and 8. Semiannual report, October 1994--March 1995

    SciTech Connect (OSTI)

    Hawthorne, S.B.; Ness, R.O. Jr.; Nowok, J.W.; Pflughoeft-Hassett, D.; Hurley, J.P.; Steadman, E.N.

    1995-05-01

    The objective of the Environmental Management program at the Energy and Environmental Research Center (EERC) is to develop, demonstrate, and commercialize technologies that address the environmental management needs of contaminated sites, including characterization, sensors, and monitoring; low-level mixed waste processing; material disposition technology; improved waste forms; in situ containment and remediation; and efficient separation technologies for radioactive wastes. Task 2 is the extraction and analysis of pollutant organics from contaminated solids using off-line supercritical fluid extraction (SFE) and on-line SFE-infrared spectroscopy. Task 3, pyrolysis of plastics, has as its objectives to develop a commercial process to significantly reduce the volume of mixed-plastics-paper-resin waste contaminated with low-level radioactive material; concentrate contaminants in a collectible form; and determine the distribution and form of contaminants after pyrolysis of the mixed waste. Task 4, stabilization of vitrified wastes, has as its objectives to (1) demonstrate a waste vitrification procedure for enhanced stabilization of waste materials and (2) develop a testing protocol to understand the long-term leaching behavior of the stabilized waste form. The primary objective of Task 8, Management and reporting, is coordination of this project with other programs and opportunities. In addition, management oversight will be maintained to ensure that tasks are completed and coordinated as planned and that deliverables are submitted in a timely manner. Accomplishments to date is each task are described. 62 refs.

  6. Beamline 1.4.3

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

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

  7. Pressure dependence of the exchange interaction in the dimeric single-molecule magnet [Mn{sub 4}O{sub 3}Cl{sub 4}(O{sub 2}CEt){sub 3}(py){sub 3}]{sub 2} from inelastic neutron scattering

    SciTech Connect (OSTI)

    Sieber, A.; Waldmann, O.; Ochsenbein, S. T.; Carver, G.; Guedel, H. U.; Foguet-Albiol, D.; Christou, G.; Mutka, H.; Fernandez-Alonso, F.; Mezouar, M.; Weber, H. P.

    2006-07-01

    The low-lying magnetic excitations in the dimers of single-molecule magnets [Mn{sub 4}O{sub 3}Cl{sub 4}(O{sub 2}CEt){sub 3}(py){sub 3}]{sub 2}, or (Mn{sub 4}){sub 2}, are studied by inelastic neutron scattering as a function of hydrostatic pressure. The anisotropy parameters D and B{sub 0}{sup 4}, which describe each Mn{sub 4} subunit, are essentially pressure independent, while the antiferromagnetic exchange coupling J between the two Mn{sub 4} subunits strongly depends on pressure, with an increase of 42% at 17 kbar. Additional pressure-dependent powder x-ray measurements allow a structural interpretation of the findings.

  8. Pumping-route-dependent concentration quenching and temperature effect of green up- and down-conversion luminescence in Er{sup 3+}/Yb{sup 3+} co-doped Gd{sub 2}(WO{sub 4}){sub 3} phosphors

    SciTech Connect (OSTI)

    Li, Jingjing; Sun, Jiashi [Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China); Liu, Jutao [College of Life Science, Dalian Nationalities University, Dalian, Liaoning 116600 (China); Li, Xiangping; Zhang, Jinsu [Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China); Tian, Yue [Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China); College of Life Science, Dalian Nationalities University, Dalian, Liaoning 116600 (China); Fu, Shaobo; Cheng, Lihong; Zhong, Haiyang [Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China); Xia, Haiping [Key laboratory of Photo-electronic Materials, Ningbo University, Ningbo, Zhejiang 315211 (China); Chen, Baojiu, E-mail: chenmbj@sohu.com [Department of Physics, Dalian Maritime University, Dalian, Liaoning 116026 (China)

    2013-06-01

    Graphical abstract: A comparative study on the concentration quenching behaviors of green down- and up-conversion emissions was carried out for the first time, and the different concentration quenching mechanisms were analyzed. Secondly, the thermal effect induced by 980 nm LD irradiation was investigated, it was observed that the equilibrium temperature of Gd{sub 2}(WO{sub 4}){sub 3}:Er{sup 3+}/Yb{sup 3+} sample was decided by both the excitation power and Er{sup 3+} doping concentration. Highlights: ? Gd{sub 2}(WO{sub 4}){sub 3}:Er/Yb phosphors were prepared via a co-precipitation reaction. ? Morphology and structure of the phosphors were characterized by XRD and SEM. ? Concentration quenching mechanisms for down and up emissions were studied. ? Thermal effect induced by laser irradiation was studied via temperature sensing tech. - Abstract: Gd{sub 2}(WO{sub 4}){sub 3} phosphors with various Er{sup 3+} concentrations and fixed Yb{sup 3+} concentration were synthesized via a co-precipitation method, and their crystal structure and morphology were characterized by using X-ray diffraction (XRD) and scanning electron microscopy (SEM). The concentration quenching behaviors of green up- and down-conversion emissions of Er{sup 3+} were analyzed, and it was confirmed that the difference between quenching concentration for up- and down-conversion emissions resulted from the different population routes. The temperature sensing properties of the Gd{sub 2}(WO{sub 4}){sub 3}:Er{sup 3+}/Yb{sup 3+} phosphors were studied, and it was found that the Er{sup 3+} doping concentration slightly affected the sensitivity, and Gd{sub 2}(WO{sub 4}){sub 3}:Er{sup 3+}/Yb{sup 3+} phosphors could be used in a broad temperature region for detecting temperature. Finally, the thermal effect induced by 980 nm LD irradiation was investigated, it was observed that the equilibrium temperature of Gd{sub 2}(WO{sub 4}){sub 3}:Er{sup 3+}/Yb{sup 3+} sample was decided by both the excitation power and Er{sup 3+} doping concentration.

  9. 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...

  10. New coordination polymers from 1D chain, 2D layer to 3D framework constructed from 1,2-phenylenediacetic acid and 1,3-bis(4-pyridyl)propane flexible ligands

    SciTech Connect (OSTI)

    Xin Lingyun; Liu Guangzhen; Wang Liya

    2011-06-15

    The hydrothermal reactions of Cd, Zn, or Cu(II) acetate salts with H{sub 2}PHDA and BPP flexible ligands afford three new coordination polymers, including [Cd(PHDA)(BPP)(H{sub 2}O)]{sub n}(1), [Zn(PHDA)(BPP)]{sub n}(2), and [Cu{sub 2}(PHDA){sub 2}(BPP)]{sub n}(3) (H{sub 2}PHDA=1,2-phenylenediacetic acid, BPP=1,3-bis(4-pyridyl)propane). The single-crystal X-ray diffractions reveal that all three complexes feature various metal carboxylate subunits extended further by the BPP ligands to form a diverse range of structures, displaying a remarked structural sensitivity to metal(II) cation. Complex 1 containing PHDA-bridged binuclear cadmium generates 1D double-stranded chain, complex 2 results in 2D{yields}2D interpenetrated (4,4) grids, and complex 3 displays a 3D self-penetrated framework with 4{sup 8}6{sup 6}8 rob topology. In addition, fluorescent analyses show that both 1 and 2 exhibit intense blue-violet photoluminescence in the solid state. - Graphical Abstract: We show diverse supramolecular frameworks based on the same ligands (PHDA and BPP) and different metal acetate salts including 1D double-stranded chain, 2D {yields} 2D twofold interpenetrated layer, and 3D self-penetration networks. Highlights: > Three metal(II = 2 /* ROMAN ) coordination polymers were synthesized using H{sub 2}PHDA and BPP. > The diversity of structures show a remarked sensitivity to metal(II) center. > Complexes show the enhancement of fluorescence compared to that of free ligand.

  11. Synthesis of novel MoS{sub 2}/g-C{sub 3}N{sub 4} heterojunction photocatalysts with enhanced hydrogen evolution activity

    SciTech Connect (OSTI)

    Tian, Yuming; Ge, Lei; Wang, Kaiyue; Chai, Yuesheng

    2014-01-15

    Novel MoS{sub 2}/g-C{sub 3}N{sub 4} heterojunction photocatalysts were synthesized via a simple impregnation and heating methods. The products were characterized by X-ray diffraction, transmission electron microscopy and UVvis diffuse reflectance spectra. The photocatalytic activities of MoS{sub 2}/g-C{sub 3}N{sub 4} samples were evaluated based on the hydrogen evolution experiments under visible light irradiation (? > 400 nm). The UVvis diffuse reflectance spectra revealed that the MoS{sub 2}/g-C{sub 3}N{sub 4} photocatalysts had strong absorption in the visible light region. The photocatalytic results indicated that the highest H{sub 2} evolution rate of 23.10 ?molh{sup ?1} was achieved on the 0.5 wt.% MoS{sub 2}g-C{sub 3}N{sub 4} sample, which was enhanced by 11.3 times compared to pure g-C{sub 3}N{sub 4}. This study may provide an approach to the development of novel heterojunction photocatalysts for hydrogen production under visible light irradiation. - Highlights: MoS{sub 2}/g-C{sub 3}N{sub 4} photocatalyst is obtained by simple impregnation and heating methods. and determined by XRD, TEM, UV-vis diffuse reflectance spectra. the photocatalysts had strong absorption in the visible light region. the highest H2 evolution rate was achieved on the 0.5wt% samples.

  12. Two-dimensional [sup 1]H-NMR EXSY study of the fluxional behavior of the novel carbenium ion complex [FvMo[sub 2](CO)[sub 4]([mu],[eta][sup 2],[eta][sup 3]-MeC[equivalent to]CCH[sub 2])][BF[sub 4

    SciTech Connect (OSTI)

    Amouri, H.E.; Besace, Y.; Vollhardt, K.P.C.; Ball, G.E. Lawrence Berkeley Lab., CA ); Vaissermann, J. )

    1993-03-01

    The title compound [FuMo[sub 2](CO)[sub 4]([mu],[eta][sup 2],[eta][sup 3]-MeC[equivalent to]CCH[sub 2])][BF[sub 4

  13. Data:12a45141-7972-4ec8-a2dc-37fedc8133d3 | Open Energy Information

    Open Energy Info (EERE)

    ec8-a2dc-37fedc8133d3 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...

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

    SciTech Connect (OSTI)

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

    2015-12-15

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

  15. Electron-irradiation induced phase transformation in La{sub 1/3}Zr{sub 2}(PO{sub 4}){sub 3}: La{sup 3+} displacement in a preserved NASICON framework

    SciTech Connect (OSTI)

    Crosnier-Lopez, M.P. . E-mail: marie-pierre.crosnier-lopez@univ-lemans.fr; Barre, M.; Le Berre, F.; Fourquet, J.L.

    2006-08-15

    The La{sub 1/3}Zr{sub 2}(PO{sub 4}){sub 3} NASICON-type compound (S.G. P3-bar - neutron and X-ray diffraction experiments) is investigated by transmission electron microscopy (TEM) technique, selected area electron diffraction (SAED) and high-resolution electron microscopy (HREM), in order to study locally the lanthanum distribution. An irreversible structural transformation (P-bar -bar -bar ->P-bar c-bar ->R-bar -bar -bar ) is observed, without modification of the atomic content and cell size, as soon as the phase is illuminated by the electron beam. The progressive disappearance of the spots which do not check the R conditions on the SAED patterns is clearly shown along two zone axis, [001] and [100]. This transformation implies the displacement of the two La{sup 3+} cations in a preserved classical [Zr{sub 2}(PO{sub 4}){sub 3}]{sup -} network. This interesting behavior is in good agreement with the La{sup 3+} ionic conductivity observed in La{sub 1/3}Zr{sub 2}(PO{sub 4}){sub 3} (4.09x10{sup -7}Scm{sup -1} at 700 deg. C). To our knowledge, this is the first time that a complete TEM study is done on a NASICON-type phase.

  16. Synthesis and characterization of g-C{sub 3}N{sub 4}/Cu{sub 2}O composite catalyst with enhanced photocatalytic activity under visible light irradiation

    SciTech Connect (OSTI)

    Peng, Biyu; Zhang, Shengsen; Yang, Siyuan; Wang, Hongjuan; Yu, Hao; Zhang, Shanqing; Peng, Feng

    2014-08-15

    The prepared g-C{sub 3}N{sub 4}/Cu{sub 2}O composite exhibited the enhanced photocatalytic activity under visible-light irradiation due to the stronger ability in separation of electronhole pairs, which was proven by the transient photocurrent measurement. - Highlights: The coupled Cu{sub 2}O with g-C{sub 3}N{sub 4} of narrow-band-gap semiconductor has been designed. g-C{sub 3}N{sub 4}/Cu{sub 2}O is prepared via an alcohol-aqueous based on chemical precipitation method. g-C{sub 3}N{sub 4}/Cu{sub 2}O exhibits the enhanced photocatalytic activity under visible-light. The enhanced photocatalytic activity is proven by the transient photocurrent test. A mechanism for the visible-light-driven photocatalysis of g-C{sub 3}N{sub 4}/Cu{sub 2}O is revealed. - Abstract: To overcome the drawback of low photocatalytic efficiency brought by electronhole pairs recombination and narrow photo-response range, a novel g-C{sub 3}N{sub 4}/Cu{sub 2}O composite photocatalyst was designed and prepared successfully. Compared with bare Cu{sub 2}O and g-C{sub 3}N{sub 4}, the g-C{sub 3}N{sub 4}/Cu{sub 2}O composite exhibited significantly enhanced photocatalytic activity for acid orange-II (AO-II) degradation under visible light irradiation. Based on energy band positions, the mechanism of enhanced visible-light photocatalytic activity was proposed.

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

    SciTech Connect (OSTI)

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

    1993-12-01

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

  18. 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.

  19. 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.

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

    SciTech Connect (OSTI)

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

    2010-12-15

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

  1. Structure tracking aided design and synthesis of Li3V2(PO4)3 nanocrystals as high-power cathodes for lithium ion batteries

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

    Wang, Liping; Bai, Jianming; Gao, Peng; Wang, Xiaoya; Looney, J. Patrick; Wang, Feng

    2015-07-30

    In this study, preparing new electrode materials with synthetic control of phases and electrochemical properties is desirable for battery applications but hardly achievable without knowing how the synthesis reaction proceeds. Herein, we report on structure tracking-aided design and synthesis of single-crystalline Li3V2(PO4)3 (LVP) nanoparticles with extremely high rate capability. A comprehensive investigation was made to the local structural orderings of the involved phases and their evolution toward forming LVP phase using in situ/ex situ synchrotron X-ray and electron-beam diffraction, spectroscopy, and imaging techniques. The results shed light on the thermodynamics and kinetics of synthesis reactions and enabled the design ofmore » a cost-efficient synthesis protocol to make nanocrystalline LVP, wherein solvothermal treatment is a crucial step leading to an amorphous intermediate with local structural ordering resembling that of LVP, which, upon calcination at moderate temperatures, rapidly transforms into the desired LVP phase. The obtained LVP particles are about 50 nm, coated with a thin layer of amorphous carbon and featured with excellent cycling stability and rate capability – 95% capacity retention after 200 cycles and 66% theoretical capacity even at a current rate of 10 C. The structure tracking based method we developed in this work offers a new way of designing battery electrodes with synthetic control of material phases and properties.« less

  2. Acoustic emission during the ferroelectric transition Pm3{sup }m to P4mm in BaTiO{sub 3} and the ferroelastic transition R3{sup }m-C2/c in Pb{sub 3}(PO{sub 4}){sub 2}

    SciTech Connect (OSTI)

    Salje, E. K. H.; Dul'kin, E.; Roth, M.

    2015-04-13

    Acoustic emission (AE) spectroscopy without frequency filtering (?broadband AE) and moderate time integration is shown to be sensitive enough to allow the investigation of subtle nano-structural changes in ferroelectric BaTiO{sub 3} and ferroelastic Pb{sub 3}(PO{sub 4}){sub 2}. AE signals during weak phase transitions are compatible with avalanche statistics as observed previously in large-strain systems. While the data are too sparse to determine avalanche exponents, they are well suited to determine other thermodynamic parameters such as transition temperatures and critical stresses.

  3. 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.

  4. 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.

  5. Hydrothermal synthesis and afterglow luminescence properties of hollow SnO{sub 2}:Sm{sup 3+},Zr{sup 4+} spheres for potential application in drug delivery

    SciTech Connect (OSTI)

    Feng, Pengfei; Zhang, Jiachi Qin, Qingsong; Hu, Rui; Wang, Yuhua

    2014-02-01

    Highlights: We designed a novel afterglow labeling material SnO{sub 2}:Sm{sup 3+},Zr{sup 4+} for the first time. Hollow SnO{sub 2}:Sm{sup 3+},Zr{sup 4+} spheres with afterglow were prepared by hydrothermal method. Hollow SnO{sub 2}:Sm{sup 3+},Zr{sup 4+} is a potential afterglow labeling medium for drug delivery. - Abstract: A novel afterglow labeling material SnO{sub 2}:Sm{sup 3+},Zr{sup 4+} with hollow sphere shape and intense afterglow luminescence is prepared by hydrothermal method at 180 C for the first time. The morphology and the sphere growth process of this material are investigated by scanning electron microscopy in detail. The afterglow measurement shows that this hydrothermal obtained material exhibits obvious red afterglow luminescence (550700 nm) of Sm{sup 3+} which can last for 542 s (0.32 mcd/m{sup 2}). The depth of traps in this hydrothermal obtained material is calculated to be as shallow as 0.58 eV. The results demonstrate that although it is necessary to further improve the afterglow performance of the hydrothermal derived hollow SnO{sub 2}:Sm{sup 3+},Zr{sup 4+} spheres, it still can be regarded as a potential afterglow labeling medium for drug delivery.

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

    SciTech Connect (OSTI)

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

    2011-07-13

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

  7. Enhanced ferromagnetic order in Sr{sub 4}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} featuring canted [MnO{sub 4}]{sub ∞} spin chains of mixed-valent Mn(III)/Mn(IV). Aliovalent substitution of the Sr{sub 4−x}Ln{sub x}Mn{sup III}{sub 2+x}Mn{sup IV}{sub 1−x}O{sub 3}(GeO{sub 4}){sub 3} solid-solution

    SciTech Connect (OSTI)

    West, J. Palmer; Sulejmanovic, Dino; Becht, Gregory; He, Jian; Hitchcock, Dale; Yan, Yonggao; Hwu, Shiou-Jyh

    2013-10-15

    Crystals of Sr{sub 4−x}Ln{sub x}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} (x=0; x∼0.15 for Ln=La, Pr, Nd, Sm. Eu, Gd, Dy; x∼0.3 for Ln=Gd) were isolated upon using high-temperature, solid-state methods in molten-salt media. These compounds are isostructural with the previously reported Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3} (Ln=La, Sm, Gd) series that contains the same [MnO{sub 4}]{sub ∞} spin chains. The synthesis of the Sr{sub 4}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} (x=0) phase was carried out by a double aliovalent substitution with respect to the Sr{sup 2+} and Ge{sup 4+} ions that replace Na{sup +}/Ln{sup 3+} and As{sup 5+} in Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3}, respectively. The title series contains mixed-valent Mn(III)/Mn(IV) and shows a limited range of solid solution, both of which were not observed in the previously reported Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3} series. To form the Sr{sub 4−x}Ln{sub x}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} solid solution, one of the Sr{sup 2+} sites, i.e., the original Ln-site in Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3}, is partially substituted by Ln{sup 3+} in a statistical disorder of Sr{sub 1−x}/Ln{sub x}. Initial magnetic investigations of selected derivatives reveal higher ferromagnetic ordering temperatures than those reported for the Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3} series, presumably attributed to a lesser degree of canting as a result of introducing non-Jahn–Teller Mn{sup 4+} ions. Also intriguing is the observation of multiple anomalies at low temperatures which appear to be of electronic origins. - Graphical abstract: Sr{sub 4−x}Ln{sub x}Mn(III){sub 2+x}Mn(IV){sub 1−x}O{sub 3}(GeO{sub 4}){sub 3}. Display Omitted - Highlights: • Double aliovalent substitution: Sr{sub 4}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} with respect to Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3}. • Solid solution with respect to statistical disorder of Sr{sub 1−x}Ln{sub x} in one of the two Sr sites. • Mn{sup 3+}/Mn{sup 4+} magnetic ions are spatially arranged in a triangular kagomé fashion. • Enhanced ferromagnetic ordering attributed to doping non-Jahn–Teller Mn{sup 4+}.

  8. Light harvesting with Ge quantum dots embedded in SiO{sub 2} or Si{sub 3}N{sub 4}

    SciTech Connect (OSTI)

    Cosentino, Salvatore Raciti, Rosario; Simone, Francesca; Crupi, Isodiana; Terrasi, Antonio; Mirabella, Salvo; Sungur Ozen, Emel; Aydinli, Atilla; Mio, Antonio M.; Nicotra, Giuseppe; Turan, Rasit

    2014-01-28

    Germanium quantum dots (QDs) embedded in SiO{sub 2} or in Si{sub 3}N{sub 4} have been studied for light harvesting purposes. SiGeO or SiGeN thin films, produced by plasma enhanced chemical vapor deposition, have been annealed up to 850?C to induce Ge QD precipitation in Si based matrices. By varying the Ge content, the QD diameter can be tuned in the 39?nm range in the SiO{sub 2} matrix, or in the 12?nm range in the Si{sub 3}N{sub 4} matrix, as measured by transmission electron microscopy. Thus, Si{sub 3}N{sub 4} matrix hosts Ge QDs at higher density and more closely spaced than SiO{sub 2} matrix. Raman spectroscopy revealed a higher threshold for amorphous-to-crystalline transition for Ge QDs embedded in Si{sub 3}N{sub 4} matrix in comparison with those in the SiO{sub 2} host. Light absorption by Ge QDs is shown to be more effective in Si{sub 3}N{sub 4} matrix, due to the optical bandgap (0.91.6?eV) being lower than in SiO{sub 2} matrix (1.22.2?eV). Significant photoresponse with a large measured internal quantum efficiency has been observed for Ge QDs in Si{sub 3}N{sub 4} matrix when they are used as a sensitive layer in a photodetector device. These data will be presented and discussed, opening new routes for application of Ge QDs in light harvesting devices.

  9. 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.

  10. 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)

  11. Electron beam induced structural evolution in Fe{sub 3}O{sub 4}/SiO{sub 2} particles: A new route to obtain movable core structures

    SciTech Connect (OSTI)

    Lv, Baoliang; Xu, Yao; Wu, Dong; Sun, Yuhan; Low Carbon Conversion Center, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201203

    2011-06-15

    Graphical abstract: SiO{sub 2} hollow spheres with movable Fe{sub 3}O{sub 4} cores were obtained by exposing the Fe{sub 3}O{sub 4}/SiO{sub 2} particles to the electron beam of TEM. It is a new route to obtain movable core nanostructures. Research highlights: {yields} SiO{sub 2} hollow particles with movable Fe{sub 3}O{sub 4} cores were obtained. {yields} Irradiation of electron beam induced the structural evolution. {yields} A new route to obtain hollow particles with movable core. -- Abstract: SiO{sub 2} hollow spheres with movable Fe{sub 3}O{sub 4} core were obtained by exposing the pre-synthesized Fe{sub 3}O{sub 4}/SiO{sub 2} particles (with an adsorption interlayer of ethylene glycol) under the irradiation of electron beam inside transmission electron micrograph (TEM). In the formation process, the evaporation of adsorbed ethylene glycol and the evolution of amorphous SiO{sub 2} layer played important roles, and that should be attributed to the high temperature and trapped charges induced by the irradiation of electron beam. This work provided a new route to obtain particles with movable core structure and extended the applications of electron beam.

  12. TtP-3 Tt-4 Tt-2 Tt-3 Tt-1 Tt-5 Tt-6 TtP-5 TtP-1 TtP-2 Tt-7 TtP-9

    Office of Legacy Management (LM)

    TtP-3 Tt-4 Tt-2 Tt-3 Tt-1 Tt-5 Tt-6 TtP-5 TtP-1 TtP-2 Tt-7 TtP-9 TtP-6 TtP-7 TtP-8 TtP-4 OLF-CM20 OLF-CM17 OLF-CM15 OLF-CM15 OLF-CM14 OLF-CM13 OLF-CM12 OLF-CM11 OLF-CM10 OLF-CM9 OLF-CM8 OLF-CM7 OLF-CM6 OLF-CM5 OLF-CM4 OLF-CM1 NORTH March 2014 Figure 1 Plan View of OLF Site Project No. 181750 DITCH/CHANNEL/CREEK L E G E N D : SLUMP OR SUBSIDENCE LINE AND DIRECTION ROAD TEST PIT LOCATION TEST BORING AND INCLINOMETER LOCATION SETTLEMENT MONUMENT (EXISTING) APPROXIMATE LIMITS OF GEOTECHNICAL

  13. JM to Cancel DOE G 430.1-2; G 430.1-3; and G 430.1-4 (11-18-10)--Withdrawn

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

    2010-11-10

    Withdrawn 3-21-11. DOE G 430.1-2, Implementation Guide for Surveillance and Maintenance During Facility Transition and Disposition; DOE G 430.1-3, Deactivation Implementation Guide, and DOE G 430.1-4, Decommissioning Implementation Guide

  14. Eu{sub 3}F{sub 4}S{sub 2}: Synthesis, crystal structure, and magnetic properties of the mixed-valent europium(II,III) fluoride sulfide EuF{sub 2}.(EuFS){sub 2}

    SciTech Connect (OSTI)

    Grossholz, Hagen; Hartenbach, Ingo; Kotzyba, Gunter; Poettgen, Rainer; Trill, Henning; Mosel, Bernd D.; Schleid, Thomas

    2009-11-15

    Using the method to synthesize rare-earth metal(III) fluoride sulfides MFS (M=Y, La, Ce-Lu), in some cases we were able to obtain mixed-valent compounds such as Yb{sub 3}F{sub 4}S{sub 2} instead. With Eu{sub 3}F{sub 4}S{sub 2} another isotypic representative has now been synthesized. Eu{sub 3}F{sub 4}S{sub 2} (tetragonal, I4/mmm, a=400.34(2), c=1928.17(9) pm, Z=2) is obtained from the reaction of metallic europium, elemental sulfur, and europium trifluoride in a molar ratio of 5:6:4 within seven days at 850 deg. C in silica-jacketed gas-tightly sealed platinum ampoules. The single-phase product consists of black plate-shaped single crystals with a square cross section, which can be obtained from a flux using equimolar amounts of NaCl as fluxing agent. The crystal structure is best described as an intergrowth structure, in which one layer of CaF{sub 2}-type EuF{sub 2} is followed by two layers of PbFCl-type EuFS when sheeted parallel to the (001) plane. Accordingly there are two chemically and crystallographically different europium cations present. One of them (Eu{sup 2+}) is coordinated by eight fluoride anions in a cubic fashion, the other one (Eu{sup 3+}) exhibits a monocapped square antiprismatic coordination sphere with four F{sup -} and five S{sup 2-} anions. Although the structural ordering of the different charged europium cations is plausible, a certain amount of charge delocalization with some polaron activity has to take place, which is suggested by the black color of the title compound. Temperature dependent magnetic susceptibility measurements of Eu{sub 3}F{sub 4}S{sub 2} show Curie-Weiss behavior with an experimental magnetic moment of 8.19(5) mu{sub B} per formula unit and a paramagnetic Curie temperature of 0.3(2) K. No magnetic ordering is observed down to 4.2 K. In accordance with an ionic formula splitting like (Eu{sup II})(Eu{sup III}){sub 2}F{sub 4}S{sub 2} only one third of the europium centers in Eu{sub 3}F{sub 4}S{sub 2} carry permanent magnetic moments. {sup 151}Eu-Moessbauer spectroscopic experiments at 4.2 K show one signal at an isomer shift of -12.4(1) mm/s and a second one at 0.42(4) mm/s. These signals occur in a ratio of 1:2 and correspond to Eu{sup 2+} and Eu{sup 3+}, respectively. The spectra at 78 and 298 K are similar, thus no change in the Eu{sup 2+}/Eu{sup 3+} fraction can be detected. - Graphical abstract: Crystal structure and {sup 151}Eu-Moessbauer spectra of mixed-valent Eu{sub 3}F{sub 4}S{sub 2}.

  15. Beamline 1.4.3

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

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

  16. Beamline 1.4.3

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

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

  17. Beamline 1.4.3

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

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

  18. Beamline 1.4.3

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

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

  19. 4-Methylumbelliferone inhibits hyaluronan synthesis by depletion of cellular UDP-glucuronic acid and downregulation of hyaluronan synthase 2 and 3

    SciTech Connect (OSTI)

    Kultti, Anne; Pasonen-Seppaenen, Sanna; Jauhiainen, Marjo; Rilla, Kirsi J.; Kaernae, Riikka; Pyoeriae, Emma; Tammi, Raija H.; Tammi, Markku I.

    2009-07-01

    Hyaluronan accumulation on cancer cells and their surrounding stroma predicts an unfavourable disease outcome, suggesting that hyaluronan enhances tumor growth and spreading. 4-Methylumbelliferone (4-MU) inhibits hyaluronan synthesis and retards cancer spreading in experimental animals through mechanisms not fully understood. These mechanisms were studied in A2058 melanoma cells, MCF-7 and MDA-MB-361 breast, SKOV-3 ovarian and UT-SCC118 squamous carcinoma cells by analysing hyaluronan synthesis, UDP-glucuronic acid (UDP-GlcUA) content, and hyaluronan synthase (HAS) mRNA levels. The maximal inhibition in hyaluronan synthesis ranged 22-80% in the cell lines tested. Active glucuronidation of 4-MU produced large quantities of 4-MU-glucuronide, depleting the cellular UDP-GlcUA pool. The maximal reduction varied between 38 and 95%. 4-MU also downregulated HAS mRNA levels: HAS3 was 84-60% lower in MDA-MB-361, A2058 and SKOV-3 cells. HAS2 was the major isoenzyme in MCF-7 cells and lowered by 81%, similar to 88% in A2058 cells. These data indicate that both HAS substrate and HAS2 and/or HAS3 mRNA are targeted by 4-MU. Despite different target point sensitivities, the reduction of hyaluronan caused by 4-MU was associated with a significant inhibition of cell migration, proliferation and invasion, supporting the importance of hyaluronan synthesis in cancer, and the therapeutic potential of hyaluronan synthesis inhibition.

  20. [Ni(H{sub 2}O){sub 4}]{sub 3}[U(OH,H{sub 2}O)(UO{sub 2}){sub 8}O{sub 12}(OH){sub 3}], crystal structure and comparison with uranium minerals with U{sub 3}O{sub 8}-type sheets

    SciTech Connect (OSTI)

    Rivenet, Murielle; Vigier, Nicolas; Roussel, Pascal; Abraham, Francis

    2009-04-15

    The new U(VI) compound, [Ni(H{sub 2}O){sub 4}]{sub 3}[U(OH,H{sub 2}O)(UO{sub 2}){sub 8}O{sub 12}(OH){sub 3}], was synthesized by mild hydrothermal reaction of uranyl and nickel nitrates. The crystal-structure was solved in the P-1 space group, a=8.627(2), b=10.566(2), c=12.091(4) A and alpha=110.59(1), beta=102.96(2), gamma=105.50(1){sup o}, R=0.0539 and wR=0.0464 from 3441 unique observed reflections and 151 parameters. The structure of the title compound is built from sheets of uranium polyhedra closely related to that in beta-U{sub 3}O{sub 8}. Within the sheets [(UO{sub 2})(OH)O{sub 4}] pentagonal bipyramids share equatorial edges to form chains, which are cross-linked by [(UO{sub 2})O{sub 4}] and [UO{sub 4}(H{sub 2}O)(OH)] square bipyramids and through hydroxyl groups shared between [(UO{sub 2})(OH)O{sub 4}] pentagonal bipyramids. The sheets are pillared by sharing the apical oxygen atoms of the [(UO{sub 2})(OH)O{sub 4}] pentagonal bipyramids with the oxygen atoms of [NiO{sub 2}(H{sub 2}O){sub 4}] octahedral units. That builds a three-dimensional framework with water molecules pointing towards the channels. On heating [Ni(H{sub 2}O){sub 4}]{sub 3}[U(OH,H{sub 2}O)(UO{sub 2}){sub 8}O{sub 12}(OH){sub 3}] decomposes into NiU{sub 3}O{sub 10}. - Graphical abstract: The framework of [Ni(H{sub 2}O){sub 4}]{sub 3}[U(OH,H{sub 2}O)(UO{sub 2}){sub 8}O{sub 12}(OH){sub 3}] built from uranium polyhedra sheets pillared by Ni-centered octahedra.

  1. 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.

  2. 4-fluoroalkyl-3-halophenyl nortropanes

    DOE Patents [OSTI]

    Goodman, Mark M.; Chen, Ping

    2002-06-04

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

  3. 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...

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

    Open Energy Info (EERE)

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

  5. Modeling of 1,3-hexadiene, 2,4-hexadiene and 1,4-hexadiene-doped methane flames: Flame modeling, benzene and styrene formation

    SciTech Connect (OSTI)

    Sharma, Sandeep; Harper, Michael R.; Green, William H.

    2010-07-15

    In this work, we have developed a detailed chemical kinetic model and reacting flow simulation for the hexadiene-doped 2-d methane diffusion flames studied experimentally by McEnally and Pfefferle. The GRI-Mech 2.11 methane oxidation and Lawrence Livermore butane oxidation mechanisms were used as the base mechanism to which hexadiene chemistry generated by Reaction Mechanism Generator (RMG) was added. Some important chemically activated pathways leading to aromatic species formation, including the reactions on C{sub 5}H{sub 7}, C{sub 6}H{sub 10}, C{sub 6}H{sub 9}, C{sub 6}H{sub 7}, C{sub 8}H{sub 8} and C{sub 8}H{sub 9} potential energy surfaces, are examined in great detail using quantum chemistry (CBS-QB3) and master equation analysis as implemented in Variflex. An efficient program to solve the doped methane diffusion flame was developed. The solver uses the method of lines to solve the species mass balance equation arising in the diffusion flame. It assumes that the temperature and velocity profiles of the doped flame are the same as those of the undoped flame. The mole fractions of various species as predicted by our model are compared to the experimentally measured mole fractions. The agreement between theory and experiments is quite good for most molecules. The added hexadiene dopants to the flame decompose to produce significant amount of cyclopentadienyl radical, which combines with methyl radical to produce benzene. We also show that styrene is formed primarily by recombination of cyclopentadienyl and propargyl radicals, a pathway which to our knowledge, has not been included in prior flame simulations. (author)

  6. Operation Greenhouse. Scientific Director's report of atomic-weapon tests at Eniwetok, 1951. Annex 8. 3. Special radar, radio, and photographic studies of weapons effects. Part 1, 2, 3, and 4

    SciTech Connect (OSTI)

    Not Available

    1985-09-01

    Contents include: Part 1--radar-scope photography; Part 2--effects of atomic detonation on radio propagation; Part 3; photographic assessment of bomb damage; Part 4--film fogging studies.

  7. Using the Antenna Effect as a Spectroscopic Tool; Photophysics and Solution Thermodynamics of the Model Luminescent Hydroxypyridonate Complex [EuIII(3,4,3-LI(1,2-HOPO))]-

    SciTech Connect (OSTI)

    Abergel, Rebecca J.; D'Aleo, Anthony; Ng Pak Leung, Clara; Shuh, David; Raymond, Kenneth

    2009-11-20

    While widely used in bioassays, the spectrofluorimetric method described here uses the antenna effect as a tool to probe the thermodynamic parameters of ligands that sensitize lanthanide luminescence. The Eu3+ coordination chemistry, solution thermodynamic stability and photophysical properties of the spermine-based hydroxypyridonate octadentate chelator 3,4,3-LI(1,2-HOPO) are reported. The complex [EuIII(3,4,3-LI(1,2-HOPO))]- luminesces with a long lifetime (805 mu s) and a quantum yield of 7.0percent in aqueous solution, at pH 7.4. These remarkable optical properties were exploited to determine the high (and proton-independent) stability of the complex (log beta 110 = 20.2(2)) and to define the influence of the ligand scaffold on the stability and photophysical properties.

  8. Growth of large-domain YBa{sub 2}Cu{sub 3}O{sub x} with new seeding crystals of CaNdAlO{sub 4} and SrLaGaO{sub 4}.

    SciTech Connect (OSTI)

    Shi, D.; Hull, J. R.; LeBlanc, D.; LeBlanc, M. A. R.; Dabkowski, A.; Chang, Y.; Jiang, Y.; Zhang, Z.; Fan, H.; Energy Technology; Univ. of Cincinnati; Univ. of Ottawa; McMaster Univ.; Chinese Academy of Sciences

    1995-05-10

    Single crystals of CaNdAlO{sub 4} and SrLaGaO{sub 4} were used as seeds to grow large domains of YBa{sub 2}Cu{sub 3}O{sub x} for levitation applications. These crystals have high melting temperatures (> 1500 C) and similar lattice structures to that of YBa{sub 2}Cu{sub 3}O{sub x}. In a seeded melt-texturing method developed previously, the single crystals of CaNdAlO{sub 4}, SrLaGaO{sub 4}, and NdBa{sub 2}Cu{sub 3}O{sub x} were used as seeds for comparison. After melt processing, scanning electron microscopy analysis did not reveal any major differences in all these seeded melt-textured samples. However, the levitation forces in the samples seeded with single crystals of CaNdAlO{sub 4} and SrLaGaO{sub 4} increased considerably compared to that of the sample seeded with NdBa{sub 2}Cu{sub 3}O{sub x}. A model is proposed to describe the domain growth mechanism during seeded melt processing.

  9. [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)

  10. Ordered structures in YBa/sub 2/Cu/sub 3/O/sub 7-y/, La/sub 2-x/Sr/sub x/CuO/sub 4-par. delta/ and related perovskites

    SciTech Connect (OSTI)

    Mitchell, T.E.; Roy, T.; Fisk, Z.; Smith, J.L.

    1988-01-01

    Electron microscopy and electron diffraction studies have been performed on the superconducting oxides YBa/sub 2/Cu/sub 3/O/sub 7-y/, GdBa/sub 2/Cu/sub 3/O/sub 7-y/ and La/sub 2-x/Sr/sub x/CuO/sub 4-par. delta/ as well as the related perovskites La/sub 2/CuO/sub 4/, Eu/sub 2/CuO/sub 4/ and Gd/sub 2/CuO/sub 4/. Extra reflections are commonly observed in all the cases. For example, in the 123 compounds, in situ heating leads to transformations from orthorhombic to tetragonal with a loss of twin structure; on cooling the oxygen vacancies re-order in the basal plane to give 1/3(100)* or 1/4(110)* diffraction spots. In tetragonal Eu/sub 2/CuO/sub 4/ and Gd/sub 2/CuO/sub 4/, the (001) diffraction patterns often have extra spots at 1/2(110)* or at 1/4(110)* positions. Extra spots are also observed in La/sub 2/CuO/sub 4/ (orthorhombic) but this is probably due to the space group being primitive rather than centered. These observations are discussed in terms of the ordering of oxygen vacancies in the Cu-O planes of the various perovskite structures. 6 figs.

  11. Mechanical behavior and electrical conductivity of La1-xCaxCoO3 (x = 0, 0.2, 0.4, 0.55) perovskites

    SciTech Connect (OSTI)

    Pathak, Siddhartha; Steinmetz, David; Kuebler, Jakob; Payzant, E Andrew; Orlovskaya, Nina

    2010-01-01

    This paper compares the important mechanical properties and the electrical conductivities from room temperature to 800oC of four LaCoO3 based cobaltite compositions with 0, 20, 40 and 55% Ca2+ ions substituted on the A site of the perovskite structure respectively. Ca2+ doped lanthanum cobaltite materials are strong candidates for use as cathodes in lower temperature solid oxide fuel cells operating at or below 800oC. Among these four cobaltite compositions, two (LaCoO3 and La0.8Ca0.2CoO3) were found to be phase pure materials, whereas the remaining two compositions (La0.6Ca0.4CoO3 and La0.45Ca0.55CoO3) contained precipitation of secondary phases such as CaO and Co3O4. The mechanical properties of the four compositions, in terms of Young s modulus, four-point bending strength and fracture toughness measurements, were measured at both room temperature and 800oC. At room temperature, doping with Ca2+ was found to substantially increase the mechanical properties of the cobaltites, whereas at 800oC the pure LaCoO3 composition exhibited higher modulus and strength values than La0.8Ca0.2CoO3. All of the four compositions exhibited ferroelastic behavior, as shown by the hysteresis loops generated during uniaxial load-unload compression tests. Electrical conductivity measurements showed the La0.8Ca0.2CoO3 composition to have the highest conductivity among the four compositions.

  12. Preparation, characterization of Fe3O4 at TiO2 magnetic nanoparticles and their application for immunoassay of biomarker of exposure to organophosphorus pesticides

    SciTech Connect (OSTI)

    Zhang, Xiao; Wang, Hongbo; Yang, Chunming; Du, Dan; Lin, Yuehe

    2013-03-15

    Novel Fe3O4 at TiO2 magnetic nanoparticles were prepared and developed for a new nanoparticle-based immunosensor for electrochemical quantification of organophosphorylated butyrylcholinesterase (BChE) in plasma, a specific biomarker of exposure to organophosphorus (OP) agents. The Fe3O4 at TiO2 nanoparticles were synthesized by hydrolysis of tetrabutyltitanate on the surface of Fe3O4 magnetic nanospheres, and characterized by attenuated total reflection Fourier-transform infrared spectra, transmission electron microscope and X-ray diffraction. The functional Fe3O4 at TiO2 nanoparticles were performed as capture antibody to selectively enrich phosphorylated moiety instead of phosphoserine antibody in the traditional sandwich immunoassays. The secondary recognition was served by quantum dots (QDs)-tagged anti-BChE antibody (QDs-anti-BChE). With the help of a magnet, the resulting sandwich-like complex, Fe3O4 at TiO2/OP-BChE/QDs-anti-BChE, was easily isolated from sample solutions and the released cadmium ions were detected on a disposable screen-printed electrode (SPE). The binding affinities were investigated by both surface plasmon resonance (SPR) and square wave voltammetry (SWV). This method not only avoids the drawback of unavailability of commercial OP-specific antibody but also amplifies detection signal by QDs-tags together with easy separation of samples by magnetic forces. The proposed immunosensor yields a linear response over a broad OP-BChE concentrations range from 0.02 to 10 nM, with detection limit of 0.01 nM. Moreover, the disposable nanoparticle-based immunosensor has been validated with human plasma samples. It offers a new method for rapid, sensitive, selective and inexpensive screening/evaluating exposure to OP pesticides.

  13. Buildings Energy Data Book: 3.4 Commercial Environmental Emissions

    Buildings Energy Data Book [EERE]

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

  14. Self-powdering and nonlinear optical domain structures in ferroelastic beta'-Gd{sub 2}(MoO{sub 4}){sub 3} crystals formed in glass

    SciTech Connect (OSTI)

    Tsukada, Y.; Honma, T.; Komatsu, T.

    2009-08-15

    Ferroelastic beta'-Gd{sub 2}(MoO{sub 4}){sub 3}, (GMO), crystals are formed through the crystallization of 21.25Gd{sub 2}O{sub 3}-63.75MoO{sub 3}-15B{sub 2}O{sub 3} glass (mol%), and two scientific curious phenomena are observed. (1) GMO crystals formed in the crystallization break into small pieces with a triangular prism or pyramid shape having a length of 50-500 {mu}m spontaneously during the crystallizations in the inside of an electric furnace, not during the cooling in air after the crystallization. This phenomenon is called 'self-powdering phenomenon during crystallization' in this paper. (2) Each self-powdered GMO crystal grain shows a periodic domain structure with different refractive indices, and a spatially periodic second harmonic generation (SHG) depending on the domain structure is observed. It is proposed from polarized micro-Raman scattering spectra and the azimuthal dependence of second harmonic intensities that GMO crystals are oriented in each crystal grain and the orientation of (MoO{sub 4}){sup 2-} tetrahedra in GMO crystals changes periodically due to spontaneous strains in ferroelastic GMO crystals. - Graphical abstract: This figure shows the polarized optical photograph at room temperature for a particle (piece) obtained by a heat treatment of the glass at 590 deg. C for 2 h in an electric furnace in air. This particle was obtained through the self-powdering behavior in the crystallization of glass. The periodic domain structure is observed. Ferroelastic beta'-Gd{sub 2}(MoO{sub 4}){sub 3} crystals are formed in the particle, and second harmonic generations are detected, depending on the domain structure.

  15. Beam-Target Double-Spin Asymmetry ALT in Charged Pion Production from Deep Inelastic Scattering on a Transversely Polarized He3 Target at 1.42<2.7 GeV2

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

    Huang, J.; Allada, K.; Dutta, C.; Katich, J.; Qian, X.; Wang, Y.; Zhang, Y.; Aniol, K.; Annand, J. R. M.; Averett, T.; et al

    2012-01-01

    We report the first measurement of the double-spin asymmetry ALT for charged pion electroproduction in semi-inclusive deep inelastic electron scattering on a transversely polarized 3He target. The kinematics focused on the valence quark region, 0.16 < x < 0.35 with 1.4 < Q2 < 2.7 GeV2. The corresponding neutron ALT asymmetries were extracted from the measured 3He asymmetries and proton/3He cross section ratios using the effective polarization approximation. These new data probe the transverse momentum dependent parton distribution function g1Tq and therefore provide access to quark spin-orbit correlations. Our results indicate a positive azimuthal asymmetry for π- production on 3Hemore » and the neutron, while our π+ asymmetries are consistent with zero.« less

  16. SSQ V3 N3_Final_4oct13.indd

    National Nuclear Security Administration (NNSA)

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

  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...

  18. Magnetic Fe3O4@TiO2 Nanoparticles-based Test Strip Immunosensing Device for Rapid Detection of Phosphorylated Butyrylcholinesterase

    SciTech Connect (OSTI)

    Ge, Xiaoxiao; Zhang, Weiying; Lin, Yuehe; Du, Dan

    2013-12-15

    An integrated magnetic nanoparticles-based test-strip immunosensing device was developed for rapid and sensitive quantification of phosphorylated butyrylcholinesterase (BChE), the biomarker of exposure to organophosphous pesticides (OP), in human plasma. In order to overcome the difficulty in scarce availability of OP-specific antibody, here magnetic Fe3O4@TiO2 nanoparticles were used and adsorbed on the test strip through a small magnet inserted in the device to capture target OP-BChE through selective binding between TiO2 and OP moiety. Further recognition was completed by horseradish peroxidase (HRP) and anti-BChE antibody (Ab) co-immobilized gold nanoparticles (GNPs). Their strong affinities among Fe3O4@TiO2, OP-BChE and HRP/Ab-GNPs were characterized by quartz crystal microbalance (QCM), surface plasmon resonance (SPR) and square wave voltammetry (SWV) measurements. After cutting off from test strip, the resulted immunocomplex (HRP/Ab-GNPs/OP-BChE/Fe3O4@TiO2) was measured by SWV using a screen printed electrode under the test zone. Greatly enhanced sensitivity was achieved by introduction of GNPs to link enzyme and antibody at high ratio, which amplifies electrocatalytic signal significantly. Moreover, the use of test strip for fast immunoreactions reduces analytical time remarkably. Coupling with a portable electrochemical detector, the integrated device with advanced nanotechnology displays great promise for sensitive, rapid and in-filed on-site evaluation of OP poisoning.

  19. Microsoft Word - Final Nuclear Materials Management and Safeguards System Users Guide 2 4-3-13.docx

    National Nuclear Security Administration (NNSA)

    Nuclear Materials Management and Safeguards Users Guide National Nuclear Security Administration Office of Nuclear Materials Integration Office of Nuclear Materials Integration Nuclear Materials Management and Safeguards System (NMMSS) Users Guide-Rev. 2.0 Prepared by: Department of Energy National Nuclear Security Administration Nuclear Materials Integration - NA-73 April 2013 Xavier Ascanio Office of Nuclear Materials Integration Nuclear Materials Management and 73 NMMSS User Guide 2.0 April

  20. 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)

  1. Synthesis and X-ray crystal structure determination of N-p-methylphenyl-4-benzoyl-3,4-diphenyl-2-azetidinone

    SciTech Connect (OSTI)

    Kabak, Mehmet; Senoez, Huelya; Elmali, Ayhan; Adar, Vildan; Svoboda, Ingrid; Dusek, Michal; Fejfarova, Karla

    2010-12-15

    The title compound, C{sub 29}H{sub 23}NO{sub 2}, has been characterized by single-crystal X-ray diffraction at two different temperatures (303 K and 120 K) and wavelengths (MoK{sub {alpha}} and CuK{sub {alpha}}). The non-centrosymmetric hexagonal crystal structure contains four-membered planar {beta}-lactam ring with an unusually long C-C bond. The {beta}-lactam ring is almost planar.

  2. Reversible Exsolution of Nanometric Fe2O3 Particles in BaFe2-x(PO4)2 (0 ? x ? 2/3):The Logic of Vacancy Ordering in Novel Metal-Depleted Two-Dimensional Lattices

    SciTech Connect (OSTI)

    Alcover, Ignacio Blazquez; David, Rnald; Daviero-Minaud, Sylvie; Filimonov, Dmitry; Huv, Marielle; Roussel, Pascal; Kabbour, Houria; Mentr, Olivier

    2015-08-12

    We show here that the exsolution of Fe2+ ions out of two-dimensional (2D) honeycomb layers of BaFe2(PO4)2 into iron-deficient BaFe2x(PO4)2 phases and nanometric ?-Fe2O3 (typically 50 nm diameter at the grain surface) is efficient and reversible until x = 2/3 in mild oxidizing/reducing conditions. It corresponds to the renewable conversion of 12 wt % of the initial mass into iron oxide. After analyzing single crystal X-ray diffraction data of intermediate members x = 2/7, x = 1/3, x = 1/2 and the ultimate Fe-depleted x = 2/3 term, we then observed a systematic full ordering between Fe ions and vacancies (VFe) that denote unprecedented easy in-plane metal diffusion driven by the Fe2+/Fe3+ redox. Besides the discovery of a diversity of original depleted triangular ?{Fe2/3+2xO6} topologies, we propose a unified model correlating the x Fe-removal and the experimental Fe/VFe ordering into periodic one-dimensional motifs paving the layers, gaining insights into predictive crystahemistry of complex low dimensional oxides. When we increased the x values it led to a progressive change of the materials from 2D ferromagnets (Fe2+) to 2D ferrimagnets (Fe2/3+) to antiferromagnets for x = 2/3 (Fe3+).

  3. 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.

  4. Synthesis and characterization of Fe{sub 3}O{sub 4}–TiO{sub 2} core-shell nanoparticles

    SciTech Connect (OSTI)

    Stefan, M. Pana, O.; Leostean, C.; Silipas, D.; Bele, C.; Senila, M.; Gautron, E.

    2014-09-21

    Composite core-shell nanoparticles may have morpho-structural, magnetic, and optical (photoluminescence (PL)) properties different from each of the components considered separately. The properties of Fe{sub 3}O{sub 4}–TiO{sub 2} nanoparticles can be controlled by adjusting the titania amount (shell thinness). Core–shell nanoparticles were prepared by seed mediated growth of semiconductor (TiO{sub 2}) through a modified sol-gel process onto preformed magnetite (Fe{sub 3}O{sub 4}) cores resulted from the co-precipitation method. The structure and morphology of samples were characterized by X-ray diffraction, transmission electron microscopy (TEM), and high resolution-TEM respectively. X-ray photoelectron spectroscopy was correlated with ICP-AES. Magnetic measurements, optical absorption spectra, as well as PL spectroscopy indicate the presence of a charge/spin transfer from the conduction band of magnetite into the band gap of titania nanocrystals. The process modifies both Fe{sub 3}O{sub 4} and TiO{sub 2} magnetic and optical properties, respectively.

  5. CO2/CH4, CH4/H2 and CO2/CH4/H2 separations at high pressures...

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

    CH4, CH4H2 and CO2CH4H2 separations at high pressures using Mg2(dobdc) Previous Next List Zoey R. Herm, Rajamani Krishna, Jeffrey R. Long, Microporous Mesoporous Mater., 151,...

  6. Crystal structure and magnetic properties of NaCu{sup II}[(Cu{sup II}{sub 3}O)(PO{sub 4}){sub 2}Cl

    SciTech Connect (OSTI)

    Jin Tengteng; Liu Wei; Chen Shuang; Prots, Yurii; Schnelle, Walter; Zhao Jingtai; Kniep, Ruediger; Hoffmann, Stefan

    2012-08-15

    A new copper(II) oxide phosphate chloride, NaCu{sup II}[(Cu{sup II}{sub 3}O)(PO{sub 4}){sub 2}Cl], has been synthesized by flux synthesis. Single-crystal X-ray diffraction data show that the title compound crystallizes in the monoclinic system, space group P2{sub 1}/c (No. 14), with lattice parameters a=8.392(2) A, b=6.3960(10) A, c=16.670(2) A, {beta}=109.470(10) Degree-Sign , V=843.6(3) A{sup 3}, Z=4. The crystal structure is characterized by a complex chain of copper-centered polyhedra running along [0 1 0] which are connected by phosphate tetrahedra. The resulting three-dimensional polyhedra framework exhibits channels filled by additional copper and sodium atoms. Field and temperature dependent measurements of the specific heat and the magnetic susceptibility reveal low-dimensional magnetic behavior. The compound starts to decompose at 700 K under release of oxygen and evaporation of Cu{sup I}Cl as shown by simultaneous thermogravimetry and mass spectrometry. - Graphical abstract: The crystal structure of the new copper(II) phosphate chloride, NaCu{sup II}[(Cu{sup II}{sub 3}O)(PO{sub 4}){sub 2}Cl], exhibits linear chains of copper tetrahedra which show low-dimensional magnetic behavior proven by specific heat and magnetic susceptibility measurements. Highlights: Black-Right-Pointing-Pointer A new copper(II) oxide phosphate chloride, NaCu{sup II}[(Cu{sup II}{sub 3}O)(PO{sub 4}){sub 2}Cl], has been synthesized by flux synthesis. Black-Right-Pointing-Pointer The crystal structure comprises chains of Cu{sub 4}O tetrahedra. Black-Right-Pointing-Pointer Low-dimensional behavior has been proven by magnetic and specific heat measurements. Black-Right-Pointing-Pointer On heating, Cu{sup I}Cl and oxygen are released shown by simultaneous thermogravimetry and mass spectrometry.

  7. L .~$;2-3

    Office of Legacy Management (LM)

    rucan*- -atbntshakiedoun atgmonItsmda)ai rrapkot0p;lurttf3ulna,'pllxr uutub0rf;,l% Tkmp3lultwillproaboth8nirlla2feedgredo umi tYmrgrudediaalaltra*orphatre llsd -...

  8. Fermi surface measurements in YBa sub 2 Cu sub 3 O sub 7-x and La sub 1. 874 Sr sub. 126 CuO sub 4

    SciTech Connect (OSTI)

    Howell, R.H.; Sterne, P.A.; Solal, F.; Fluss, M.J. ); Haghighi, H.; Kaiser, J.H.; Rayner, S.L.; West, R.N. ); Liu, J.Z; Shelton, R. ); Kojima, H. ); Kitazawa, K. )

    1991-06-25

    We report new, ultra high precision measurements of the electron-positron momentum spectra of YBa{sub 2}Cu{sub 3}O{sub 7-x} and La{sub 1.874}Sr{sub 126}CuO{sub 4}. The YBCO experiments were performed on twin free, single crystals and show discontinuities with the symmetry of the Fermi surface of the CuO chain bands. Conduction band and underlying features in LSCO share the same symmetry and can only be separated with the aid of LDA calculations. 5 refs., 3 figs.

  9. Strain relaxation and enhanced perpendicular magnetic anisotropy in BiFeO{sub 3}:CoFe{sub 2}O{sub 4} vertically aligned nanocomposite thin films

    SciTech Connect (OSTI)

    Zhang, Wenrui; Jiao, Liang; Li, Leigang [Department of Materials Science and Engineering, Texas A and M University, College Station, Texas 77843 (United States); Jian, Jie; Khatkhatay, Fauzia; Chu, Frank [Department of Electrical and Computer Engineering, Texas A and M University, College Station, Texas 77843 (United States); Chen, Aiping [Department of Electrical and Computer Engineering, Texas A and M University, College Station, Texas 77843 (United States); Center for Integrated Nanotechnologies (CINT), Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Jia, Quanxi [Center for Integrated Nanotechnologies (CINT), Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); MacManus-Driscoll, Judith L. [Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge CB2 3QZ (United Kingdom); Wang, Haiyan, E-mail: wangh@ece.tamu.edu [Department of Materials Science and Engineering, Texas A and M University, College Station, Texas 77843 (United States); Department of Electrical and Computer Engineering, Texas A and M University, College Station, Texas 77843 (United States)

    2014-02-10

    Self-assembled BiFeO{sub 3}:CoFe{sub 2}O{sub 4} (BFO:CFO) vertically aligned nanocomposite thin films have been fabricated on SrTiO{sub 3} (001) substrates using pulsed laser deposition. The strain relaxation mechanism between BFO and CFO with a large lattice mismatch has been studied by X-ray diffraction and transmission electron microscopy. The as-prepared nanocomposite films exhibit enhanced perpendicular magnetic anisotropy as the BFO composition increases. Different anisotropy sources have been investigated, suggesting that spin-flop coupling between antiferromagnetic BFO and ferrimagnetic CFO plays a dominant role in enhancing the uniaxial magnetic anisotropy.

  10. V R Fanelli1'2, J M Lawrence1 '2, E A Goremychkin3, R Osborn4, E D Bauer1, K J M cClellan1, J D Thompson1, C

    Office of Scientific and Technical Information (OSTI)

    -dependence of the spin fluctuations in the intermediate valence compound CePd3 V R Fanelli1'2, J M Lawrence1 '2, E A Goremychkin3, R Osborn4, E D Bauer1, K J M cClellan1, J D Thompson1, C H Booth5, A D Christianson6 and P S Riseborough7 1 Los Alamos National Laboratory, Los Alamos, NM 87545, USA 2 University o f California, Irvine, CA 92697, USA 3 University o f Southampton, Southampton SO 17 1BJ, United Kingdom 4 Argonne National Laboratory, Argonne, IL 60439, USA 5 Lawrence Berkeley National

  11. 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.

  12. Quantity of 135I Released from the AGR 1, AGR 2, and AGR 3/4 Experiments and Discovery of 131I at the FPMS Traps during the AGR-3/4 Experiment

    SciTech Connect (OSTI)

    Dawn Scates

    2014-09-01

    A series of three Advanced Gas Reactor (AGR) experiments have been conducted in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL). From 2006 through 2014, these experiments supported the development and qualification of the new U.S. tristructural isotropic (TRISO) particle fuel for Very High Temperature Reactors (VHTR). Each AGR experiment consisted of multiple fueled capsules, each plumbed for independent temperature control using a mix of helium and neon gases. The gas leaving a capsule was routed to individual Fission Product Monitor (FPM) detectors. For intact fuel particles, the TRISO particle coatings provide a substantial barrier to fission product release. However, particles with failed coatings, whether because of a minute percentage of initially defective particles, those which fail during irradiation, or those designed to fail (DTF) particles, can release fission products to the flowing gas stream. Because reactive fission product elements like iodine and cesium quickly deposit on cooler capsule components and piping structures as the effluent gas leaves the reactor core, only the noble fission gas isotopes of Kr and Xe tend to reach FPM detectors. The FPM system utilizes High Purity Germanium (HPGe) detectors coupled with a thallium activated sodium iodide NaI(Tl) scintillator. The HPGe detector provides individual isotopic information, while the NaI(Tl) scintillator is used as a gross count rate meter. During irradiation, the 135mXe concentration reaching the FPM detectors is from both direct fission and by decay of the accumulated 135I. About 2.5 hours after irradiation (ten 15.3 minute 135mXe half lives) the directly produced 135mXe has decayed and only the longer lived 135I remains as a source. Decay systematics dictate that 135mXe will be in secular equilibrium with its 135I parent, such that its production rate very nearly equals the decay rate of the parent, and its concentration in the flowing gas stream will appear to decay with the parent half life. This equilibrium condition enables the determination of the amount of 135I released from the fuel particles by measurement of the 135mXe at the FPM following reactor shutdown. In this paper, the 135I released will be reported and compared to similar releases for noble gases as well as the unexpected finding of 131I deposition from intentional impure gas injection into capsule 11 of experiment AGR 3/4.

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

    DOE Patents [OSTI]

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

    2013-01-29

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

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

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

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

    2015-07-16

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

  15. 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.

  16. Buildings Energy Data Book: 3.4 Commercial Environmental Emissions

    Buildings Energy Data Book [EERE]

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

  17. Beamline 12.3.2

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

    2.3.2 Beamline 12.3.2 Print Tuesday, 20 October 2009 09:34 Microdiffraction Scientific disciplines: Materials, earth and environmental sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Superbend magnet Energy range 6-22 keV Frequency range 2.1-0.56 Ångström wavelength Monochromator White light and monochromatic [four-bounce Si(111)] Calculated flux (1.9 GeV, 400 mA) Typically 8.5 keV: 1 x 109 photons/s/µm2/3x10-4BW (1 x 1 µm spot) Resolving power (E/ΔE) 7000

  18. tablehc4.3.xls

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

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

  19. High Schottky barrier at grain boundaries observed in Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics

    SciTech Connect (OSTI)

    Somphan, Weeraya; Thongbai, Prasit; Yamwong, Teerapon; Maensiri, Santi

    2013-10-15

    Graphical abstract: - Highlights: NSCTO exhibits a high ?? of 7.08.4 10{sup 3} and low tan ? of 0.0300.041. NSCTO exhibits a high E{sub b} of ?2208 V cm{sup ?1} and large ? of 15.6. Giant ?? response is attributed to the electrically heterogeneous microstructure. High ?{sub b} values at grain boundaries are found to be 0.9250.964 eV. Formation of a potential barrier at grain boundaries is caused by Schottky effect. - Abstract: The dielectric properties and nonlinear currentvoltage characteristics of Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics prepared by a conventional solid state reaction method were investigated. Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics exhibited a high dielectric permittivity of 7.08.4 10{sup 3} and low loss tangent (tan ??0.0300.041). Non-Ohmic properties with a high breakdown voltage of ?2208 V cm{sup ?1} and large nonlinear coefficient of 15.6 were observed in Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics. Using complex impedance analysis, Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics were shown to be electrically heterogeneous consisting of semiconducting grains and insulating grain boundaries. Giant dielectric properties were described based on the electrically heterogeneous microstructure. X-ray photoelectron spectroscopy analysis suggested that the semiconductive nature of grains may be related to the presence of Cu{sup +} and Ti{sup 3+}. The formation of an electrostatic potential barrier at the grain boundaries of Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics was suggested to be caused by the Schottky effect. Interestingly, high electrostatic potential barriers at grain boundaries in Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics were calculated and found to be 0.9250.964 eV.

  20. Redox Exchange Induced MnO2 Nanoparticle Enrichment in Poly(3,4-ethylenedioxythiophene) Nanowires for Electrochemical Energy Storage

    SciTech Connect (OSTI)

    Liu, R.; Duay, Jonathon; Lee, Sang Bok

    2010-06-30

    MnO2 nanoparticle enriched poly(3,4-ethylenedioxythiophene) (PEDOT) nanowires are fabricated by simply soaking the PEDOT nanowires in potassium permanganate (KMnO4) solution. The structures of these MnO2 nanoparticle enriched PEDOT nanowires are characterized by SEM and TEM, which show that the MnO2 nanoparticles have uniform sizes and are finely dispersed in the PEDOT matrix. The chemical constituents and bonding of these composite nanowires are characterized by energy-dispersive X-ray analysis, X-ray photoelectron spectroscopy, and infrared spectroscopy, which indicate that the formation and dispersion of these MnO2 nanoparticles into the nanoscale pores of the PEDOT nanowires are most likely triggered by the reduction of KMnO4 via the redox exchange of permanganate ions with the functional group on PEDOT. Varying the concentrations of KMnO4 and the reaction time controls the loading amount and size of the MnO2 nanoparticles. Cyclic voltammetry and galvanostatic charge-discharge are used to characterize the electrochemical properties of these MnO2 nanoparticle loaded PEDOT nanowires. Due to their extremely high exposed surface area with nanosizes, the pristine MnO2 nanoparticles in these MnO2 nanoparticle enriched PEDOT nanowires show very high specific capacitance (410 F/g) as the supercapacitor electrode materials as well as high Li+ storage capacity (300 mAh/g) as cathode materials of Li ion battery, which boost the energy storage capacity of PEDOT nanowires to 4 times without causing excessive volume expansion in the polymer. The highly conductive and porous PEDOT matrix facilitates fast charge/discharge of the MnO2 nanoparticles and prevents them from agglomerating. These synergic properties enable the MnO2 nanoparticle enriched PEDOT nanowires to be promising electrode materials for supercapacitors and lithium ion batteries.

  1. Fluorocarbon assisted atomic layer etching of SiO2 and Si using cyclic Ar/C4F8 and Ar/CHF3 plasma

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

    Metzler, Dominik; Li, Chen; Engelmann, Sebastian; Bruce, Robert L.; Joseph, Eric A.; Oehrlein, Gottlieb S.

    2015-11-11

    The need for atomic layer etching (ALE) is steadily increasing as smaller critical dimensions and pitches are required in device patterning. A flux-control based cyclic Ar/C4F8 ALE based on steady-state Ar plasma in conjunction with periodic, precise C4F8 injection and synchronized plasma-based low energy Ar+ ion bombardment has been established for SiO2.1 In this work, the cyclic process is further characterized and extended to ALE of silicon under similar process conditions. The use of CHF3 as a precursor is examined and compared to C4F8. CHF3 is shown to enable selective SiO2/Si etching using a fluorocarbon (FC) film build up. Othermore » critical process parameters investigated are the FC film thickness deposited per cycle, the ion energy, and the etch step length. Etching behavior and mechanisms are studied using in situ real time ellipsometry and X-ray photoelectron spectroscopy. Silicon ALE shows less self-limitation than silicon oxide due to higher physical sputtering rates for the maximum ion energies used in this work, ranged from 20 to 30 eV. The surface chemistry is found to contain fluorinated silicon oxide during the etching of silicon. As a result, plasma parameters during ALE are studied using a Langmuir probe and establish the impact of precursor addition on plasma properties.« less

  2. 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

  3. Beamline 1.4.3

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

    Diffraction-limited (wavelength); x-y stage with 0.1 micron accuracy Detectors MCT-A (mercury cadmium telluride) Spot size at sample 2-10 m (diffraction-limited) Sample...

  4. 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)

  5. table3.2

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

    Fuel Consumption, 2002; Level: National and Regional Data; Row: NAICS Codes; Column: Energy Sources; Unit: Trillion Btu. Total United States RSE Column Factors: 0.8 0.8 1.1 1.6 0.9 1.8 0.7 0.7 1.1 311 Food 1,116 230 13 19 575 5 184 1 90 7.6 311221 Wet Corn Milling 217 23 * * 61 * 121 0 11 1.2 31131 Sugar 111 2 2 1 22 * 37 1 46 1 311421 Fruit and Vegetable Canning 47 7 1 1 36 Q 0 0 1 12.5 312 Beverage and Tobacco Products 104 26 2 2 46 1 17 0 10 4.4 3121 Beverages 85 22 1 2 42 1 8 0 10 5.9 3122

  6. Beamline 12.3.2

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

    3.2 Beamline 12.3.2 Print Tuesday, 20 October 2009 09:34 Microdiffraction Scientific disciplines: Materials, earth and environmental sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Superbend magnet Energy range 6-22 keV Frequency range 2.1-0.56 Ångström wavelength Monochromator White light and monochromatic [four-bounce Si(111)] Calculated flux (1.9 GeV, 400 mA) Typically 8.5 keV: 1 x 109 photons/s/µm2/3x10-4BW (1 x 1 µm spot) Resolving power (E/ΔE) 7000

  7. 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.

  8. Beamline 5.4.3

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

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

  9. Beamline 5.4.3

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

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

  10. Beamline 5.4.3

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

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

  11. Beamline 5.4.3

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

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

  12. Effects of Mg doping on the remarkably enhanced electrochemical performance of Na3V2(PO4)3 cathode materials for sodium ion batteries

    SciTech Connect (OSTI)

    Li, Hui; Yu, Xiqian; Bai, Ying; Wu, Feng; Wu, Chuan; Liu, Liang-Yu; Yang, Xiao-Qing

    2015-01-01

    Na3V2-xMgx(PO4)3/C composites with different Mg2+ doping contents (x=0, 0.01, 0.03, 0.05, 0.07 and 0.1) were prepared by a facile sol-gel method. The doping effects on the crystal structure were investigated by XRD, XPS and EXAFS. The results show that low dose doping Mg2+ does not alter the structure of the material, and magnesium is successfully substituted for vanadium site. The Mg doped Na3V2-xMgx(PO4)3/C composites exhibit significant improvements on the electrochemistry performances in terms of the rate capability and cycle performance, especially for the Na3V1.95Mg0.05(PO4)3/C. For example, when the current density increased from 1 C to 30 C, the specific capacity only decreased from 112.5 mAh g-1 to 94.2 mAh g-1 showing very good rate capability. Moreover, even cycling at a high rate of 20 C, an excellent capacity retention of 81% is maintained from the initial value of 106.4 mAh g-1 to 86.2 mAh g-1 at the 50th cycle. Enhanced rate capability and cycle performance can be attributed to the optimized particle size, structural stability and enhanced ionic and electronic conductivity induced by Mg doping.

  13. table4.3_02.xls

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

    Offsite-Produced Fuel Consumption, 2002; Level: National and Regional Data; Row: Values of Shipments and Employment Sizes; Column: Energy Sources; Unit: Trillion Btu. RSE Economic Residual Distillate Natural LPG and Coke and Row Characteristic(a) Total Electricity(b) Fuel Oil Fuel Oil(c) Gas(d) NGL(e) Coal Breeze Other(f) Factors Total United States RSE Column Factors: 0.6 0.6 1.3 2.2 0.7 1.4 1.5 0.6 1 Value of Shipments and Receipts (million dollars) Under 20 1,276 437 15 50 598 W 47 W 97 14.5

  14. 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

  15. 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 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

  16. 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 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

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

    SciTech Connect (OSTI)

    N. A. Anderson; P. Sabharwall

    2012-06-01

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

  18. Beamline 8.3.2

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

    3.2 Beamline 8.3.2 Print Tuesday, 20 October 2009 08:56 Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9 GeV, 500 mA) ~105hv/sec/µm2 in ML mode Resolving power (E/ΔE) White beam/ 1% / 0.02% Endstation 12 x 3 ft

  19. 1-2-3 - Economic Indicators.123

    National Nuclear Security Administration (NNSA)

    Airline Passengers December 2009 3,097,382 3,234,705 3,164,313 -4.2% -2.1% Gaming Revenue December 2009 753,169,630 750,798,061 771,800,158 0.3% -2.4% Visitor Volume (all...

  20. TableHC2.3.xls

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

    Total................................................................... 111.1 78.1 64.1 4.2 1.8 2.3 5.7 Household Size 1 Person......................................................... 30.0 18.6 13.2 1.4 0.7 1.3 2.1 2 Persons........................................................ 34.8 26.8 22.9 1.3 0.5 0.7 1.4 3 Persons........................................................ 18.4 12.8 10.7 0.5 0.4 Q 1.0 4 Persons........................................................ 15.9 11.5 9.8 0.6 Q Q 0.9

  1. Buildings Energy Data Book: 3.4 Commercial Environmental Emissions

    Buildings Energy Data Book [EERE]

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

  2. Cationic disorder and Mn{sup 3+}/Mn{sup 4+} charge ordering in the B? and B? sites of Ca{sub 3}Mn{sub 2}NbO{sub 9} perovskite: a comparison with Ca{sub 3}Mn{sub 2}WO{sub 9}

    SciTech Connect (OSTI)

    Lpez, C.A.; Saleta, M.E.; Pedregosa, J.C.; Snchez, R.D.; Alonso, J.A.; and others

    2014-02-15

    We describe the preparation, crystal structure determination, magnetic and transport properties of two novel Mn-containing perovskites, with a different electronic configuration for Mn atoms located in B site. Ca{sub 3}Mn{sup 3+}{sub 2}WO{sub 9} and Ca{sub 3}Mn{sup 3+/4+}{sub 2}NbO{sub 9} were synthesized by standard ceramic procedures; the crystallographic structure was studied from X-ray powder diffraction (XRPD) and neutron powder diffraction (NPD). Both phases exhibit a monoclinic symmetry (S.G.: P2{sub 1}/n); Ca{sub 3}Mn{sub 2}WO{sub 9} presents a long-range ordering over the B sites, whereas Ca{sub 3}Mn{sub 2}NbO{sub 9} is strongly disordered. By in-situ NPD, the temperature evolution of the structure study presents an interesting evolution in the octahedral size (?MnO?) for Ca{sub 3}Mn{sub 2}NbO{sub 9}, driven by a charge ordering effect between Mn{sup 3+} and Mn{sup 4+} atoms, related to the anomaly observed in the transport measurements at T?160 K. Both materials present a magnetic order below T{sub C}=30 K and 40 K for W and Nb materials, respectively. The magneto-transport measurements display non-negligible magnetoresistance properties in the paramagnetic regime. - Graphical abstract: Comparison between the octahedron size and the magnetic behaviour for Ca{sub 3}Mn{sub 2}NbO{sub 9} in the temperature region where the charge and magnetic order occur. Display Omitted - Highlights: Two novel Mn-containing double perovskites were obtained by solid-state reactions. Both double perovskites are monoclinic (P2{sub 1}/n) determined by XRPD and NPD. Ca{sub 3}Mn{sub 2}WO{sub 9} contains Mn{sup 3+} while Ca{sub 3}Mn{sub 2}NbO{sub 9} includes mixed-valence cations Mn{sup 3+}/Mn{sup 4+}. Ca{sub 3}Mn{sub 2}NbO{sub 9} presents a charge-ordering effect between Mn{sup 3+} and Mn{sup 4+} evidenced by NPD. The magnetic and transport studies evidenced the charge ordering in Ca{sub 3}Mn{sub 2}NbO{sub 9}.

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

    SciTech Connect (OSTI)

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

    2007-08-07

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

  4. Beamline 12.3.2

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

    3.2 Print Microdiffraction Scientific disciplines: Materials, earth and environmental sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Superbend magnet Energy range 6-22 keV Frequency range 2.1-0.56 Ångström wavelength Monochromator White light and monochromatic [four-bounce Si(111)] Calculated flux (1.9 GeV, 400 mA) Typically 8.5 keV: 1 x 109 photons/s/µm2/3x10-4BW (1 x 1 µm spot) Resolving power (E/ΔE) 7000 Detectors Dectris Pilatus 1M Pixel detector, Silicon

  5. Facile fabrication and characterization of amino-functionalized Fe{sub 3}O{sub 4} cluster@SiO{sub 2} core/shell nanocomposite spheres

    SciTech Connect (OSTI)

    Kalantari, Mohammad; Kazemeini, Mohammad; Arpanaei, Ayyoob

    2013-06-01

    Highlights: ? A method developed for the preparation of Fe{sub 3}O{sub 4} clusters@SiO{sub 2} nanocomposites. ? This method permits production of core/shell nanomaterials with high yields. ? Resultant superparamagnetic particles are monodisperse with high magnetizations. - Abstract: We developed a modified straightforward method for the fabrication of uniformly sized silica-coated magnetite clusters core/shell type nanocomposite particles. Proposed simple one-step processing method permits quick production of materials in high yield. The structural, surface, and magnetic characteristics of the nanocomposite particles were investigated by transmission electron microscopy (TEM), scanning electron microscope (SEM), powder X-ray diffraction (XRD), vibrating sample magnetometer (VSM), and Fourier-transform infrared (FTIR). The sphere-shaped particles almost have the average diameter of 120 nm, with a magnetic cluster core of 80 15 nm, and a silica shell of 25 10 nm thickness. The particles are superparamagnetic and present strong magnetization (18 emu/g) due to the fact that they possess core of the magnetic clusters. Subsequently, the silica surface of core/shell particles was amino-functionalized via N-(2-aminoethyl)-3-aminopropyltrimethoxysilane (EDS). Findings of the present work highlight the potential for using amino-functionalized magnetic silica core/shell nanocomposite particles in biological applications since they possess useful magnetic properties and proper structure.

  6. Synthesis and Characterization of RuO2/poly (3,4-ethylenedioxythiophene) (PEDOT) Composite Nanotubes for Supercapacitors

    SciTech Connect (OSTI)

    Liu, Ran; Duay, Jonathon; Lane, Timothy; Lee, Sang Bok

    2010-01-18

    We report the synthesis of composite RuO2/poly(3,4-ethylenedioxythiophene) (PEDOT) nanotubes with high specific capacitance and fast charging/discharging capability as well as their potential application as electrode materials for a high-energy and high-power supercapacitor. RuO2/PEDOT nanotubes were synthesized in a porous alumina membrane by a step-wise electrochemical deposition method, and their structures were characterized using electron microscopy. Cyclic voltammetry was used to qualitatively characterize the capacitive properties of the composite RuO2/PEDOT nanotubes. Their specific capacitance, energy density and power density were evaluated by galvanostatic charge/discharge cycles at various current densities. The pseudocapacitance behavior of these composite nanotubes originates from ion diffusion during the simultaneous and parallel redox processes of RuO2 and PEDOT. We show that the energy density (specific capacitance) of PEDOT nanotubes can be remarkably enhanced by electrodepositing RuO2 into their porous walls and onto their rough internal surfaces. The flexible PEDOT prevents the RuO2 from breaking and detaching from the current collector while the rigid RuO2 keeps the PEDOT nanotubes from collapsing and aggregating. The composite RuO2/PEDOT nanotube can reach a high power density of 20 kW kg-1 while maintaining 80% energy density (28 Wh kg-1) of its maximum value. This high power capability is attributed to the fast charge/discharge of nanotubular structures: hollow nanotubes allow counter-ions to readily penetrate into the composite material and access their internal surfaces, while a thin wall provides a short diffusion distance to facilitate ion transport. The high energy density originates from the RuO2, which can store high electrical/electrochemical energy intrinsically. The high specific capacitance (1217 Fg-1) which is contributed by the RuO2 in the composite RuO2/PEDOT nanotube is realized because of the high specific surface area of the nanotubular structures. Such PEDOT/RuO2 composite nanotube materials are an ideal candidate for the development of high-energy and high-power supercapacitors.

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

    SciTech Connect (OSTI)

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

    2010-02-15

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

  8. Microsoft Word - Chapter 4_2-10-11

    National Nuclear Security Administration (NNSA)

    ... Figure 4.3.1-1. Road Network around Y-12. 4.3.2 Electrical Power Electric power is ... precipitation (DOE 2008). In 2007 wind speeds at ORNL Tower C (MT2) measured at ...

  9. Buildings Energy Data Book: 3.4 Commercial Environmental Emissions

    Buildings Energy Data Book [EERE]

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

  10. 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.

  11. 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

  12. 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

  13. 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

  14. Improvement of the physical properties of novel (1 ? y) Co{sub 0.8}Cu{sub 0.2}Fe{sub 2}O{sub 4} + (y) SrTiO{sub 3} nanocomposite

    SciTech Connect (OSTI)

    Ahmed, M.A.; Mansour, S.F.; Abdo, M.A.

    2013-05-15

    Graphical abstract: The ME coefficient as a function of magnetic field for the composites (1 ? y) Co{sub 0.8}Cu{sub 0.2}Fe{sub 2}O{sub 4} + (y) SrTiO{sub 3} (y = 40, 50, 60 and 80%). Highlights: ? T{sub C} and M{sub s} decrease with the increase of SrTiO{sub 3} concentration. ? The PE hysteresis loops were observed for all compositions. ? The maximum ME coefficient was observed for the composite with 60% SrTiO{sub 3}. - Abstract: Magnetoelectric (ME) nanocomposites (1 ? y) Co{sub 0.8}Cu{sub 0.2}Fe{sub 2}O{sub 4} + (y) SrTiO{sub 3} (y = 40, 50, 60, 80 and 100%) were prepared by standard ceramic method. Phase formation was checked using X-ray diffraction analysis. Both saturation magnetization (M{sub s}) and Curie temperature (T{sub C}) decrease with increasing SrTiO{sub 3} content. Temperature dependence of the dielectric constant reveals two maxima, one about 550 K corresponds to non-stoichiometry and lattice distortions while the second around 900 K corresponds to the Curie temperature (T{sub C}). The large value of ME output is due to the strain induced by lattice distortion in the ferrite phase by JahnTeller ions like Cu. Hence, JahnTeller effect in the ferrite leads to polarization in the piezoelectric phase.

  15. Beamline 8.3.2

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

    3.2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9 GeV, 500 mA) ~105hv/sec/µm2 in ML mode Resolving power (E/ΔE) White beam/ 1% / 0.02% Endstation 12 x 3 ft optical table in hutch for radiography and

  16. Beamline 8.3.2

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

    3.2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9 GeV, 500 mA) ~105hv/sec/µm2 in ML mode Resolving power (E/ΔE) White beam/ 1% / 0.02% Endstation 12 x 3 ft optical table in hutch for radiography and

  17. Beamline 8.3.2

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

    3.2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9 GeV, 500 mA) ~105hv/sec/µm2 in ML mode Resolving power (E/ΔE) White beam/ 1% / 0.02% Endstation 12 x 3 ft optical table in hutch for radiography and

  18. Broadband sensitization of downconversion phosphor YPO{sub 4} by optimizing TiO{sub 2} substitution in host lattice co-doped with Pr{sup 3+}-Yb{sup 3+} ion-couple

    SciTech Connect (OSTI)

    Li, Kai-Yu; Liu, Li-Ying; Wang, Ru-Zhi Yan, Hui; Xiao, Si-Guo; Zhou, Hua

    2014-03-28

    This study demonstrates a feasible and efficient route to alleviate the absorption problem of the terrestrial solar spectrum and enhance broadband luminescence from a promising down conversion powder phosphor YPO{sub 4} co-doped with Pr{sup 3+}-Yb{sup 3+} lanthanide ion-couple: incorporating a third sensitizing transition metal ion, e.g., Ti{sup 4+}. The x-ray powder diffraction results confirm the lattice substitution by the solid-state reaction doping rather than the formation of any secondary phase. The emission spectral results and the luminescence decay curve analysis show that the downconversion luminescence can be enhanced by 200%300% and the quantum efficiency enhanced by more than 20% at the wavelength of around 980?nm, the best response spectrum for Si-based solar cells, by optimizing TiO{sub 2} doping concentration at 7?mol. %.

  19. Synthesis of nanostructured LiTi{sub 2}(PO{sub 4}){sub 3} powder by a Pechini-type polymerizable complex method

    SciTech Connect (OSTI)

    Mariappan, C.R.; Galven, C.; Crosnier-Lopez, M.-P.; Le Berre, F.; Bohnke, O. . E-mail: odile.bohnke@univ-lemans.fr

    2006-02-15

    The nanostructured NASICON-type LiTi{sub 2}(PO{sub 4}){sub 3} (LTP) material has been synthesized by Pechini-type polymerizable complex method. The use of water-soluble ammonium citratoperoxotitanate (IV) metal complex instead of alkoxides as precursor allows to prepare monophase material. Thermal analyses have been carried out on the powder precursor to check the weight loss and synthesis temperature. X-ray powder diffraction analysis (XRD) has been performed on the LTP powder obtained after heating the powder precursor over a temperature range from 550 to 1050 deg. C for 2 h. By varying the molar ratio of citric acid to metal ion (CA/Ti) and citric acid to ethylene glycol (CA/EG), the grain size of the LTP powder could be modified. The formation of small and well-crystalline grains, in the order of 50-125 nm in size, has been determined from the XRD patterns and confirmed by transmission electron microscopy.

  20. A modified model for calculating lattice thermal expansion of I{sub 2}-IV-VI{sub 3} and I{sub 3}-V-VI{sub 4} tetrahedral compounds

    SciTech Connect (OSTI)

    Omar, M.S. . E-mail: dr_m_s_omar@yahoo.com

    2007-05-03

    A general empirical formula was found for calculating lattice thermal expansion for compounds having their properties extended for compound groups having different mean ionicity as well as more than one type of cation atoms with that of different numbers of them such as I{sub 2}-IV-VI{sub 3} and I{sub 3}-V-VI{sub 4}. The difference in the valence electrons for cations and anions in the compound was used to correlate the deviations caused by the compound ionicity. The ionicity effects, which are due to their different numbers for their types, were also added to the correlation equation. In general, the lattice thermal expansion for a compound semiconductor can be calculated from a relation containing melting point, mean atomic distance and number of valence electrons for the atoms forming the compound. The mean ionicity for the group compounds forming I{sub 2}-IV-VI{sub 3} was found to be 0.323 and 0.785 for the ternary group compounds of I{sub 3}-V-VI{sub 4}.

  1. Beamline 12.3.2

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

    2 Print Microdiffraction Scientific disciplines: Materials, earth and environmental sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Superbend magnet Energy range 6-22 keV Frequency range 2.1-0.56 Ångström wavelength Monochromator White light and monochromatic [four-bounce Si(111)] Calculated flux (1.9 GeV, 400 mA) Typically 8.5 keV: 1 x 109 photons/s/µm2/3x10-4BW (1 x 1 µm spot) Resolving power (E/ΔE) 7000 Detectors Dectris Pilatus 1M Pixel detector, Silicon

  2. Beamline 12.3.2

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

    2 Print Microdiffraction Scientific disciplines: Materials, earth and environmental sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Superbend magnet Energy range 6-22 keV Frequency range 2.1-0.56 Ångström wavelength Monochromator White light and monochromatic [four-bounce Si(111)] Calculated flux (1.9 GeV, 400 mA) Typically 8.5 keV: 1 x 109 photons/s/µm2/3x10-4BW (1 x 1 µm spot) Resolving power (E/ΔE) 7000 Detectors Dectris Pilatus 1M Pixel detector, Silicon

  3. Beamline 12.3.2

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

    2 Print Microdiffraction Scientific disciplines: Materials, earth and environmental sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Superbend magnet Energy range 6-22 keV Frequency range 2.1-0.56 Ångström wavelength Monochromator White light and monochromatic [four-bounce Si(111)] Calculated flux (1.9 GeV, 400 mA) Typically 8.5 keV: 1 x 109 photons/s/µm2/3x10-4BW (1 x 1 µm spot) Resolving power (E/ΔE) 7000 Detectors Dectris Pilatus 1M Pixel detector, Silicon

  4. Beamline 12.3.2

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

    2 Print Microdiffraction Scientific disciplines: Materials, earth and environmental sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Superbend magnet Energy range 6-22 keV Frequency range 2.1-0.56 Ångström wavelength Monochromator White light and monochromatic [four-bounce Si(111)] Calculated flux (1.9 GeV, 400 mA) Typically 8.5 keV: 1 x 109 photons/s/µm2/3x10-4BW (1 x 1 µm spot) Resolving power (E/ΔE) 7000 Detectors Dectris Pilatus 1M Pixel detector, Silicon

  5. Beamline 12.3.2

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

    2 Print Microdiffraction Scientific disciplines: Materials, earth and environmental sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Superbend magnet Energy range 6-22 keV Frequency range 2.1-0.56 Ångström wavelength Monochromator White light and monochromatic [four-bounce Si(111)] Calculated flux (1.9 GeV, 400 mA) Typically 8.5 keV: 1 x 109 photons/s/µm2/3x10-4BW (1 x 1 µm spot) Resolving power (E/ΔE) 7000 Detectors Dectris Pilatus 1M Pixel detector, Silicon

  6. Beamline 12.3.2

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

    2 Print Microdiffraction Scientific disciplines: Materials, earth and environmental sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Superbend magnet Energy range 6-22 keV Frequency range 2.1-0.56 Ångström wavelength Monochromator White light and monochromatic [four-bounce Si(111)] Calculated flux (1.9 GeV, 400 mA) Typically 8.5 keV: 1 x 109 photons/s/µm2/3x10-4BW (1 x 1 µm spot) Resolving power (E/ΔE) 7000 Detectors Dectris Pilatus 1M Pixel detector, Silicon

  7. Beamline 12.3.2

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

    2 Print Microdiffraction Scientific disciplines: Materials, earth and environmental sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Superbend magnet Energy range 6-22 keV Frequency range 2.1-0.56 Ångström wavelength Monochromator White light and monochromatic [four-bounce Si(111)] Calculated flux (1.9 GeV, 400 mA) Typically 8.5 keV: 1 x 109 photons/s/µm2/3x10-4BW (1 x 1 µm spot) Resolving power (E/ΔE) 7000 Detectors Dectris Pilatus 1M Pixel detector, Silicon

  8. Beamline 12.3.2

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

    2 Print Microdiffraction Scientific disciplines: Materials, earth and environmental sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Superbend magnet Energy range 6-22 keV Frequency range 2.1-0.56 Ångström wavelength Monochromator White light and monochromatic [four-bounce Si(111)] Calculated flux (1.9 GeV, 400 mA) Typically 8.5 keV: 1 x 109 photons/s/µm2/3x10-4BW (1 x 1 µm spot) Resolving power (E/ΔE) 7000 Detectors Dectris Pilatus 1M Pixel detector, Silicon

  9. Beamline 12.3.2

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

    2 Print Microdiffraction Scientific disciplines: Materials, earth and environmental sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Superbend magnet Energy range 6-22 keV Frequency range 2.1-0.56 Ångström wavelength Monochromator White light and monochromatic [four-bounce Si(111)] Calculated flux (1.9 GeV, 400 mA) Typically 8.5 keV: 1 x 109 photons/s/µm2/3x10-4BW (1 x 1 µm spot) Resolving power (E/ΔE) 7000 Detectors Dectris Pilatus 1M Pixel detector, Silicon

  10. Roles of Fe2+, Fe3+, and Cr3+ Surface Sites in the Oxidation of NO on the (Fe,Cr)3O4(1 1 1) Surface Termination of an ?-(Fe,Cr)2O3(0 0 0 1) Mixed Oxide

    SciTech Connect (OSTI)

    Henderson, Michael A.

    2014-10-01

    The oxidation and photooxidation reactions of nitric oxide were explored on a mixed Fe and Cr mixed oxide surface using temperature programmed desorption (TPD). The mixed oxide surface examined initially had a corundum (0001) structure with a nominal cation composition of 75% Fe and 25% Cr, but after sputter/anneal cleaning was transformed into a magnetite-like (111) surface structure enriched with Cr (~40%). TPD studies of nitric oxide on the (Fe,Cr)3O4(111) surface revealed two main desorption states at 220 and 370 K, along with a third minor desorption state at ~310 K. Similarly, O2 TPD occurred in two main TPD states (100 and 230 K) and a minor state (155 K). The more strongly and weakly bound NO and O2 molecules were assigned to adsorption at Fe2+ and Fe3+ sites, respectively, with the minor desorption states assigned to Cr3+ sites. No thermal decomposition or surface chemistry was detected in TPD for adsorbed NO (e.g., no N2 or N2O formation), whereas ~10% of the adsorbed O2 irreversibly dissociated at Fe2+ sites. These dissociated oxygen species did not react with coadsorbed NO, but instead blocked NO adsorption at the Fe2+ sites, but had no effect on NO adsorption at Fe3+ sites. In contrast, NO reacted with preadsorbed O2 molecules to generate an adsorbed nitrate/nitrite species that decomposed in TPD to liberate NO at 425 K, leaving an O atom on the surface. Coadsorption of 15N18O with 16O2 suggests the oxidized species was a nitrate based on the detected level of oxygen scrambling. Preadsorption of O2 was required for nitrate formation as preadsorbed NO blocked both O2 adsorption and the oxidation reaction. Irradiation of adsorbed NO with 460 nm light at 40 K resulted in rapid photodesorption of NO without generation of any new surface species. Irradiation of the coadsorbed NO+O2 system did not promote additional NO oxidation, but limited the extent of thermal NO oxidation (in subsequent TPD) by photodepleting the surface of adsorbed NO. Preheating the NO+O2 adlayer to 250 K prior to 460 nm light irradiation restored the level of thermal NO oxidation, revealing both that thermal activation is required for NO oxidation on the (Fe,Cr)3O4(111) surface and that the nitrate product was insensitive to 460 nm light. The author thanks Drs. Sara Chamberlin and Scott Chambers for supplying the film used in this work. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. The research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

  11. Measurements of the Electric Form Factor of the Neutron up to Q2 = 3.4 GeV2 using the Reaction He-3(e,e'n)pp

    SciTech Connect (OSTI)

    Riordan, Seamus; Craver, Brandon; Kelleher, Aidan; Kolarkar, Ameya; Miller, Jonathan; Cates, Gordon; Liyanage, Nilanga; Wojtsekhowski, Bogdan; Quimper, Armando Acha; Allada, Kalyan; Anderson, Byron; Aniol, Konrad; Annand, John; Arrington, John; Averett, Todd; Beck, Arie; Bellis, Matthew; Boeglin, Werner; Breuer, Herbert; Calarco, John; Chen, Jian-Ping; Chudakov, Eugene; Coman, Luminita; Crowe, Benjamin; Cusanno, Francesco; Day, Donal; Degtiarenko, Pavel; Dolph, P.A.M.; Dutta, Chiranjib; Ferdi, Catherine; Fernandez-Ramirez, Cezar; Feuerbach, Robert; Fraile Prieto, Luis; Franklin, Gregg; Frullani, Salvatore; Fuchs, Sabine; Garibaldi, Franco; Gevorgyan, Nerses; Gilman, Ronald; Glazmazdin, Oleksandr; Gomez, Javier; Grimm, Klaus; Hansen, Jens-Ole; Herraiz, Joaquin Lopez; Higinbotham, Douglas; Holmes, Richard; Holmstrom, Timothy; Howell, David; De Jager, Cornelis; Jiang, Xiaodong; Jones, Mark; Katich, Joseph; Kaufman, Lisa; Khandaker, Mahbubul; Kelly, James; Kiselev, Daniela; Korsch, Wolfgang; LeRose, John; Markowitz, Pete; Margaziotis, Demetrius; May-Tal Beck, Sharon; Mayilyan, Samvel; McCormick, Kathy; Meziani, Zein-Eddine; Michaels, Robert; Moffit, Bryan; Nanda, Sirish; Nelyubin, Vladimir; Ngo, Tim; Nikolenko, Dmitri; Norum, Blaine; Pentchev, Lubomir; Perdrisat, Charles; Piasetzky, Eliazer; Pomatsalyuk, Roman; Protopoescu, Dan; Puckett, Andrew; Punjabi, Vina; Qian, XIn; Qiang, Yi; Quinn, Brian; Rachek, Igor; Ransome, Ronald; Reimer, Paul; Reitz, Bodo; Roche, Julie; Ron, Guy; Rondon-Aramayo, Oscar; Rosner, Guenther; Saha, Arunava; Sargsian, Misak; Sawatzky, Bradley; Segal, John; Shabestari, Mitra Hashemi; Shahinyan, Albert; Singh, Jaideep; Sirca, Simon; Souder, Paul; Stepanyan, Samuel; Stibunov, Victor; Sulkosky, Vince; Sulkosky, Vincent; Tajima, Shigeyuki; Tobias, William; Moinelo, Jose Udias; Urciuoli, Guido; Vlahovic, Branislav; Voskanyan, Hakob; Wang, Kebin; Wesselmann, Frank; Vignote, Javier Rodriguez; Wood, Stephen; Wright, Justin; Yao, Huan

    2010-12-01

    The electric form factor of the neutron was determined from studies of the reaction \\rea{} in quasi-elastic kinematics in Hall A at Jefferson Lab. Longitudinally polarized electrons were scattered off a polarized target in which the nuclear polarization was oriented perpendicular to the momentum transfer. The scattered electrons were detected in a magnetic spectrometer in coincidence with neutrons that were registered in a large-solid-angle detector. More than doubling the $Q^2$-range over which it is known, we find \\GEn{}$ = 0.0225 \\pm 0.0017 (stat) \\pm 0.0024 (syst)$, $0.0200 \\pm 0.0023 \\pm 0.0018$, and $0.0142 \\pm 0.0019 \\pm 0.0013$ for $Q^2$ = 1.72, 2.48, and 3.41~\\gevsq, respectively.

  12. Influence of Yb{sub 2}O{sub 3} on electrical and microstructural characteristics of CaCu{sub 3}Ti{sub 4}O{sub 12} ceramics

    SciTech Connect (OSTI)

    He, Kai; Luo, Yun; Yu, Renhong; Qi, Jiapeng; Sun, Xiujuan; Yang, Yongtao; Xu, Hongxing; Ma, Jing; Xu, Dong

    2015-09-15

    Graphical abstract: Some Yb atoms entered in the lattice of CCTO substituted the Ca sites, the rest of Yb atoms concentrated at grain boundaries decreased the grain size. The dielectric constant was decreased by Yb doping. The dielectric loss of the CCTO could be greatly reduced at low frequency. - Highlights: • Yb atoms may take the place of Ca sites and concentrate at grain boundaries. • Tiny second phase corresponding to Yb may decrease the grain size. • Decrease of the grain size leads to the decrease of dielectric constant. • Yb doping could decrease the dielectric loss of CCTO. - Abstract: This paper focuses on the remarkable effects of Yb{sub 2}O{sub 3} doping on the microstructure and dielectric characteristics of CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO). Samples were prepared by the solid phase reaction method and sintered in air at 1030 °C for 12 h. X-ray diffraction and X-ray photoelectron spectroscopy studies confirm that the primary phase is CCTO. Some Yb{sup 3+} ions may substitute into the Ca site at the center or zenith sites of the CCTO lattice hexahedron, while the rest of the Yb atoms may concentrate at grain boundaries. The grain size of Yb{sub 2}O{sub 3}-doped CCTO ceramics were examined by scanning electron microscopy and demonstrate sharp grain size reduction with Yb{sub 2}O{sub 3} doping. From dielectric property measurements, the Yb{sub 2}O{sub 3} doping reduces the dielectric constant of CCTO, and the dielectric loss is also reduced.

  13. A3-4 Table A3-1. Classification

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

    A3-4 Table A3-1. Classification of soils in Set-Aside Areas. SOIL SOIL TOTAL TOTAL SYMBOL ACRES HECTARES 0/0 AeB 13.21 5.35 0.09% AnB 244.91 99.11 1.75% BaB 952.91 385.64 6.80% BaC 405.76 164.21 2.90% Ch 73.95 29.93 0.53% Da 410.76 166.24 2.93% DoA 73.95 29.93 0.53% DoB 177.04 71.65 1.26% EnA 146.32 59.22 1.04% Fa 1.634.61 661.53 11.67% FuA 44.33 17.94 0.32% FuB 378.95 153.36 2.71% FuC 30.86 12.49 0.22% HoA 78.37 31.71 0.56% LaB 236.53 95.73 1.69% LaC 37.28 15.09 0.27% LuA 37.28 15.09 0.27% LuB

  14. Beamline 3.2.1

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

    2.1 Print Commercial deep-etch x-ray lithography (LIGA) GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 3-12 keV Monochromator None Endstations Hutch with automated scanner Calculated spot size at sample 100 x 10 mm Sample format 3- and 4-in. wafer format; x-ray mask and LIGA substrate Sample environment Ambient, air Scientific disciplines Applied science Scientific applications Deep-etch x-ray lithography (LIGA) Spokesperson

  15. Beamline 3.2.1

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

    2.1 Print Commercial deep-etch x-ray lithography (LIGA) GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 3-12 keV Monochromator None Endstations Hutch with automated scanner Calculated spot size at sample 100 x 10 mm Sample format 3- and 4-in. wafer format; x-ray mask and LIGA substrate Sample environment Ambient, air Scientific disciplines Applied science Scientific applications Deep-etch x-ray lithography (LIGA) Spokesperson

  16. Beamline 3.2.1

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

    2.1 Print Commercial deep-etch x-ray lithography (LIGA) GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 3-12 keV Monochromator None Endstations Hutch with automated scanner Calculated spot size at sample 100 x 10 mm Sample format 3- and 4-in. wafer format; x-ray mask and LIGA substrate Sample environment Ambient, air Scientific disciplines Applied science Scientific applications Deep-etch x-ray lithography (LIGA) Spokesperson

  17. Beamline 3.2.1

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

    2.1 Print Commercial deep-etch x-ray lithography (LIGA) GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 3-12 keV Monochromator None Endstations Hutch with automated scanner Calculated spot size at sample 100 x 10 mm Sample format 3- and 4-in. wafer format; x-ray mask and LIGA substrate Sample environment Ambient, air Scientific disciplines Applied science Scientific applications Deep-etch x-ray lithography (LIGA) Spokesperson

  18. Beamline 3.2.1

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

    2.1 Print Commercial deep-etch x-ray lithography (LIGA) GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 3-12 keV Monochromator None Endstations Hutch with automated scanner Calculated spot size at sample 100 x 10 mm Sample format 3- and 4-in. wafer format; x-ray mask and LIGA substrate Sample environment Ambient, air Scientific disciplines Applied science Scientific applications Deep-etch x-ray lithography (LIGA) Spokesperson

  19. Beamline 3.2.1

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

    2.1 Print Commercial deep-etch x-ray lithography (LIGA) GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 3-12 keV Monochromator None Endstations Hutch with automated scanner Calculated spot size at sample 100 x 10 mm Sample format 3- and 4-in. wafer format; x-ray mask and LIGA substrate Sample environment Ambient, air Scientific disciplines Applied science Scientific applications Deep-etch x-ray lithography (LIGA) Spokesperson

  20. Q2 Q3 Season Q2 Q3 Season Q2 Q3 Season

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

    Q2 Q3 Season Q2 Q3 Season Q2 Q3 Season Nominal Prices (dollars per gallon) WTI Crude Oil (Spot) a 1.38 1.11 1.24 0.99 1.00 1.00 -28.1 -9.8 -19.8 Brent Crude Oil Price (Spot) 1.47 1.20 1.33 1.00 1.00 1.00 -32.1 -16.7 -25.1 U.S. Refiner Average Crude Oil Cost 1.37 1.14 1.25 0.97 0.98 0.97 -29.3 -14.0 -22.3 Wholesale Gasoline Price b 2.01 1.84 1.93 1.53 1.46 1.50 -23.9 -20.9 -22.4 Wholesale Diesel Fuel Price b 1.89 1.61 1.75 1.31 1.36 1.34 -30.6 -15.5 -23.5 Regular Gasoline Retail Price c 2.67 2.60

  1. Beamline 8.3.2

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

    2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9 GeV, 500 mA) ~105hv/sec/µm2 in ML mode Resolving power (E/ΔE) White beam/ 1% / 0.02% Endstation 12 x 3 ft optical table in hutch for radiography and

  2. Beamline 8.3.2

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

    2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9 GeV, 500 mA) ~105hv/sec/µm2 in ML mode Resolving power (E/ΔE) White beam/ 1% / 0.02% Endstation 12 x 3 ft optical table in hutch for radiography and

  3. Beamline 8.3.2

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

    2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9 GeV, 500 mA) ~105hv/sec/µm2 in ML mode Resolving power (E/ΔE) White beam/ 1% / 0.02% Endstation 12 x 3 ft optical table in hutch for radiography and

  4. Beamline 8.3.2

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

    2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9 GeV, 500 mA) ~105hv/sec/µm2 in ML mode Resolving power (E/ΔE) White beam/ 1% / 0.02% Endstation 12 x 3 ft optical table in hutch for radiography and

  5. Beamline 8.3.2

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

    2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9 GeV, 500 mA) ~105hv/sec/µm2 in ML mode Resolving power (E/ΔE) White beam/ 1% / 0.02% Endstation 12 x 3 ft optical table in hutch for radiography and

  6. Beamline 8.3.2

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

    2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9 GeV, 500 mA) ~105hv/sec/µm2 in ML mode Resolving power (E/ΔE) White beam/ 1% / 0.02% Endstation 12 x 3 ft optical table in hutch for radiography and

  7. Beamline 8.3.2

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

    2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9 GeV, 500 mA) ~105hv/sec/µm2 in ML mode Resolving power (E/ΔE) White beam/ 1% / 0.02% Endstation 12 x 3 ft optical table in hutch for radiography and

  8. Beamline 8.3.2

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

    2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9 GeV, 500 mA) ~105hv/sec/µm2 in ML mode Resolving power (E/ΔE) White beam/ 1% / 0.02% Endstation 12 x 3 ft optical table in hutch for radiography and

  9. 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.

  10. 4

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

    -4 -3 -2 -1 0 1 2 3 4 -4 -3 -2 -1 0 1 2 3 4 px x -0.006 -0.004 -0.002 0 0.002 0.004 0.006 -0.02 -0.015 -0.01 -0.005 0 0.005 0.01 0.015 0.02 px x(m) 50 100 50 100 0 10000 20000 30000 50 100

  11. Synthesis and photoluminescence properties of Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} red phosphor for white light emitting diodes

    SciTech Connect (OSTI)

    Zhu, Ge; Ci, Zhipeng; Shi, Yurong; Wang, Yuhua

    2014-07-01

    Highlights: A novel red phosphor Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} was synthesized and investigated firstly. The structure and characteristic luminescence properties are discussed. The excellent thermal stability was found and investigated. It has good color saturation, the CIE is close to that of commercial Y{sub 2}O{sub 3}:Eu{sup 3+}. - Abstract: A series of Sm{sup 3+} doped Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14} red phosphors were successfully synthesized. X-ray diffraction analysis indicates that all the samples are single phased. The luminescence property is investigated in detail by measuring their photoluminescence excitation and emission spectra. Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} phosphors show strong absorption in 400410 nm region, which is suitable for application in LEDs. When excited at 403 nm, Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} phosphor can emit red emission with CIE chromaticity coordinates (0.615, 0.384). The optimal doping concentration of Sm{sup 3+} doped Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14} is measured to be 0.02. The thermal quenching property is also measured and compared with the commercial red phosphor Y{sub 2}O{sub 3}:Eu{sup 3+} (Topstar, TXC-RIA). The results indicate Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} phosphors have potential to serve as a red phosphor for white LEDs.

  12. Preparation and spectroscopic properties of rare-earth (RE) (RE = Sm, Eu, Tb, Dy, Tm)-activated K{sub 2}LnZr(PO{sub 4}){sub 3} (Ln = Y, La, Gd and Lu) phosphate in vacuum ultraviolet region

    SciTech Connect (OSTI)

    Zhang, Zhi-Jun; Lin, Xiao; Graduate School of Chinese Academy of Science, Beijing, 100039 ; Zhao, Jing-Tai; Zhang, Guo-Bin

    2013-02-15

    Graphical abstract: Display Omitted Highlights: ? We report the VUV spectroscopic properties of rare-earth ions in K{sub 2}LnZr(PO{sub 4}){sub 3}. ? The O{sup 2?}-Eu{sup 3+} charge transfer bands at about 220 nm have been observed. ? The 4f5d spin-allowed and spin-forbidden transitions of Tb{sup 3+} have been observed. ? There is energy transfer between the host and rare-earth activators. -- Abstract: Rare earth (RE = Sm, Eu, Tb, Dy and Tm)-activated K{sub 2}LnZr(PO{sub 4}){sub 3} (Ln = Y, La, Gd and Lu) have been synthesized by solid-state reaction method, and their vacuum ultraviolet (VUV) excitation luminescent characteristics have been investigated. The band in the wavelength range of 130157 nm and the other one range from 155 to 216 nm with the maximum at about 187 nm in the VUV excitation spectra of these compounds are attributed to the host lattice absorption and OZr charge transfer transition, respectively. The charge transfer bands (CTB) of O{sup 2?}-Sm{sup 3+}, O{sup 2?}-Dy{sup 3+} and O{sup 2?}-Tm{sup 3+}, in Sm{sup 3+}, Dy{sup 3+} and Tm{sup 3+}-activated samples, have not been obviously observed probably because the 2p electrons of oxygen are tightly bound to the zirconium ion in the host lattice. For Eu{sup 3+}-activated samples, the relatively weak O{sup 2?}-Eu{sup 3+} CTB at about 220 nm is observed. And for Tb{sup 3+}-activated samples, the bands at 223 and 258 nm are related to the 4f-5d spin-allowed and spin-forbidden transitions of Tb{sup 3+}, respectively. It is observed that there is energy transfer between the host lattice and the luminescent activators (e.g. Eu{sup 3+}, Tb{sup 3+}). From the standpoint of luminescent efficiency, color purity and chemical stability, K{sub 2}GdZr(PO{sub 4}){sub 3}:Sm{sup 3+}, Eu{sup 3+}, Tb{sup 3+} are attractive candidates for novel yellow, red, green-emitting PDP phosphors.

  13. Magnetocrystalline interactions and oxidation state determination of Mn{sub (2?x)}V{sub (1+x)}O{sub 4} (x=0, 1/3 and 1) magnetorresistive spinel family

    SciTech Connect (OSTI)

    Pomiro, F.; Ceppi, S.; De Paoli, J.M.; Snchez, R.D.; Mesquita, A.; Tirao, G.; and others

    2013-09-15

    Oxidation states of transition metal cations in spinels-type oxides are sometimes extremely difficult to determine by conventional spectroscopic methods. One of the most complex cases occurs when there are different cations, each one with several possible oxidation states, as in the case of the magnetoresistant Mn{sub (2?x)}V{sub (1+x)}O{sub 4} (x=0, 1/3 and 1) spinel-type family. In this contribution we describe the determination of the oxidation state of manganese and vanadium in Mn{sub (2?x)}V{sub (1+x)}O{sub 4} (x=0, 1/3,1) spinel-type compounds by analyzing XANES and high-resolution K? X-ray fluorescence spectra. The ionic models found are Mn{sup 2+}{sub 2}V{sup 4+}O{sub 4}, Mn{sup 2+}{sub 5/3}V{sup 3.5+}{sub 4/3}O{sub 4} and Mn{sup 2+}V{sup 3+}{sub 2}O{sub 4}. Combination of the present results with previous data provided a reliable cation distribution model. For these spinels, single magnetic electron paramagnetic resonance (EPR) lines are observed at 480 K showing the interaction among the different magnetic ions. The analysis of the EPR parameters show that g-values and relative intensities are highly influenced by the concentration and the high-spin state of Mn{sup 2+}. EPR broadening linewidth is explained in terms of the bottleneck effect, which is due to the presence of the fast relaxing V{sup 3+} ion instead of the weak Mn{sup 2+} (S state) coupled to the lattice. The EPR results, at high temperature, are well explained assuming the oxidation states of the magnetic ions obtained by the other spectroscopic techniques. - Graphical abstract: View of the crystallographic structure of a spinel. It shows as an example one of the models of ion distribution determined for the spinels Mn{sub (2?x)}V{sub (1+x)}O{sub 4} (x=0, 1/3,1). Display Omitted - Highlights: Determination of oxidation state of the metallic ions in Mn{sub (2?x)}V{sub (1+x)}O{sub 4} (x=0,1/3,1) by XAS and XES techniques. The ionic models found are Mn{sup 2+}{sub 2}V{sup 4+}O{sub 4}, Mn{sup 2+}{sub 5/3}V{sup 3.5+}{sub 4/3}O{sub 4} and Mn{sup 2+}V{sup 3+}O{sub 4}. EPR spectra correspond almost exclusively to a resonance of Mn{sup 2+}.

  14. BEAMLINE 2-3

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

    ... accumulation in zebrafish larvae at the tissue and cellular level January 2009: The ... ENGINEERING NOTES: http:www-ssrl.slac.stanford.edusafetybeamlinesbl2 SSRL | ...

  15. Thermoelectric properties of polycrystalline In4Se3 and In4Te3

    SciTech Connect (OSTI)

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

    2010-01-01

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

  16. Measured solubilities and speciations of neptunium, plutonium, and americium in a typical groundwater (J-13) from the Yucca Mountain region; Milestone report 3010-WBS 1.2.3.4.1.3.1

    SciTech Connect (OSTI)

    Nitsche, H.; Gatti, R.C.; Standifer, E.M.

    1993-07-01

    Solubility and speciation data are important in understanding aqueous radionuclide transport through the geosphere. They define the source term for transport retardation processes such as sorption and colloid formation. Solubility and speciation data are useful in verifying the validity of geochemical codes that are part of predictive transport models. Results are presented from solubility and speciation experiments of {sup 237}NpO{sub 2}{sup +}, {sup 239}Pu{sup 4+}, {sup 241}Am{sup 3+}/Nd{sup 3+}, and {sup 243}Am{sup 3+} in J-13 groundwater (from the Yucca Mountain region, Nevada, which is being investigated as a potential high-level nuclear waste disposal site) at three different temperatures (25{degree}, 60{degree}, and 90{degree}C) and pH values (5.9, 7.0, and 8.5). The solubility-controlling steady-state solids were identified and the speciation and/or oxidation states present in the supernatant solutions were determined. The neptunium solubility decreased with increasing temperature and pH. Plutonium concentrations decreased with increasing temperature and showed no trend with pH. The americium solutions showed no clear solubility trend with increasing temperature and increasing pH.

  17. 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...

  18. Crystal structure of a new amine nitrate: 4-dimethylaminopyridinium nitrate (C{sub 7}H{sub 11}N{sub 2})NO{sub 3}

    SciTech Connect (OSTI)

    Benhassan, D. Rekik, W.; Naïli, H.; Ślepokura, Katarzyna

    2015-12-15

    The title compound (C{sub 7}H{sub 11}N{sub 2})NO{sub 3} (I) was obtained by the slow evaporation method at room temperature. Its crystal structure consists of organic cations (C{sub 7}H{sub 11}N{sub 2}){sup +} and nitrate anions (NO{sub 3}){sup –} linked by two types of hydrogen bonds. Each monoprotonated nitrogen atom, called bifurcated, is engaged in two N–H···O hydrogen bonds with two symmetric oxygen atoms. In addition, the crystal structure stability is established by C–H···O hydrogen bonds that ensure the formation of infinite layers, parallel to (001) plane. These layers are related together through π···π interactions established between aromatic amines.

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

    SciTech Connect (OSTI)

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

    2014-05-07

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

  20. 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.

  1. Structure tracking aided design and synthesis of Li3V2(PO4)3 nanocrystals as high-power cathodes for lithium ion batteries

    SciTech Connect (OSTI)

    Wang, Liping; Bai, Jianming; Gao, Peng; Wang, Xiaoya; Looney, J. Patrick; Wang, Feng

    2015-07-30

    In this study, preparing new electrode materials with synthetic control of phases and electrochemical properties is desirable for battery applications but hardly achievable without knowing how the synthesis reaction proceeds. Herein, we report on structure tracking-aided design and synthesis of single-crystalline Li3V2(PO4)3 (LVP) nanoparticles with extremely high rate capability. A comprehensive investigation was made to the local structural orderings of the involved phases and their evolution toward forming LVP phase using in situ/ex situ synchrotron X-ray and electron-beam diffraction, spectroscopy, and imaging techniques. The results shed light on the thermodynamics and kinetics of synthesis reactions and enabled the design of a cost-efficient synthesis protocol to make nanocrystalline LVP, wherein solvothermal treatment is a crucial step leading to an amorphous intermediate with local structural ordering resembling that of LVP, which, upon calcination at moderate temperatures, rapidly transforms into the desired LVP phase. The obtained LVP particles are about 50 nm, coated with a thin layer of amorphous carbon and featured with excellent cycling stability and rate capability – 95% capacity retention after 200 cycles and 66% theoretical capacity even at a current rate of 10 C. The structure tracking based method we developed in this work offers a new way of designing battery electrodes with synthetic control of material phases and properties.

  2. 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.

  3. {open_quotes}Nb{sub 2-x}P{sub 3-y}O{sub 12},{close_quotes} a novel Nb{sup v} oxophosphate with disordered cation vacancies in a Sc{sub 2}(WO{sub 4}){sub 3}-type structure

    SciTech Connect (OSTI)

    Zah-Letho, J.J.; Verbaere, A.; Jouanneaux, A.

    1995-05-01

    The title compound was prepared at 360{degrees}C, starting from Nb{sub 2}O{sub 5} and NH{sub 4}H{sub 2}PO{sub 4}. The orthorhombic unit-cell parameters were determined by electron and X-ray diffractions: a = 12.0819 (2) {angstrom}, b = 8.6848 (1) {angstrom}, c = 8.7452 (1) {angstrom}, space group Pbcn. Reitveld refinements from X-ray powder diffraction data, chemical analyses, and the measured density show that the basic structure consists of a three-dimensional framework of the Sc{sub 2}(WO{sub 4}){sub 3} structure type, with NbO{sub 6} octahedra and PO{sub 4} tetrahedra sharing corners, and that both Nb and P vacancies occur. The actual formula is close to Nb{sub 2-x}P{sub 3-y}O{sub 12}. Comparative spectroscopic studies of the title compound and of Nb{sub 3}(NbO){sub 2}(PO{sub 4}){sub 7} confirm the occurrence of the vacancies, and thus an important local variation of the bond lengths near the defect sites. The presence of small amounts of H and N in the structure is discussed. Upon heating in air, the structure is preserved up to 900{degrees}C. The so-called {epsilon}-NbOPO{sub 4} has the same basic structure, and its existence seems questionable.

  4. Beamline 5.3.2.2

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

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

  5. Beamline 5.3.2.2

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

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

  6. table3.4_02.xls

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

    Number of Establishments by Fuel Consumption, 2002; Level: National Data; Row: NAICS Codes; Column: Energy Sources; Unit: Establishment Counts. Any RSE NAICS Energy Net Residual Distillate Natural LPG and Coke Row Code(a) Subsector and Industry Source(b) Electricity(c) Fuel Oil Fuel Oil(d) Gas(e) NGL(f) Coal and Breeze Other(g) Factors Total United States RSE Column Factors: 0.7 0.7 1.3 1.1 0.9 1.2 1.2 1 1.2 311 Food 15,089 15,045 274 2,418 12,018 3,159 91 19 1,858 5.1 311221 Wet Corn Milling

  7. 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.

  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. 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

  13. 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

  14. D.S. Kim1,* H.L. Smith1, J.L. Niedziela2, C.W. Li3, D.L. Abernathy4, and B. Fultz1

    Office of Scientific and Technical Information (OSTI)

    in Silicon from 100 to 1500 K D.S. Kim1,* H.L. Smith1, J.L. Niedziela2, C.W. Li3, D.L. Abernathy4, and B. Fultz1 1 California Institute of Technology, Department of Applied Physics and Materials Science, Pasadena, California 91125, USA 2 Instrument and Source Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA 3 Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA 4 Quantum Condensed Matter Division, Oak Ridge National

  15. Structural, magnetic, and superconducting properties of pulsed-laser-deposition-grown La1.85 Sr0.15 CuO4 / La2/3 Ca1/3 MnO3 superlattices on (001)-oriented LaSrAlO4 substrates

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

    Das, S.; Sen, K.; Marozau, I.; Uribe-Laverde, M. A.; Biskup, N.; Varela, M.; Khaydukov, Y.; Soltwedel, O.; Keller, T.; Döbeli, M.; et al

    2014-03-12

    Epimore » taxial La1.85 Sr0.15 CuO4 / La2/3 Ca1/3 MnO3 (LSCO/LCMO) superlattices (SL) on (001)- oriented LaSrAlO4 substrates have been grown with pulsed laser deposition (PLD) technique. Their structural, magnetic and superconducting properties have been determined with in-situ reflection high energy electron diffraction (RHEED), x-ray diffraction, specular neutron reflectometry, scanning transmission electron microscopy (STEM), electric transport, and magnetization measurements. We find that despite the large mismatch between the in-plane lattice parameters of LSCO (a = 0.3779 nm) and LCMO (a = 0.387 nm) these superlattices can be grown epitaxially and with a high crystalline quality. While the first LSCO layer remains clamped to the LSAO substrate, a sizeable strain relaxation occurs already in the first LCMO layer. The following LSCO and LCMO layers adopt a nearly balanced state in which the tensile and compressive strain effects yield alternating in-plane lattice parameters with an almost constant average value. No major defects are observed in the LSCO layers, while a significant number of vertical antiphase boundaries are found in the LCMO layers. The LSCO layers remain superconducting with a relatively high superconducting onset temperature of Tconset ≈ 36 K. The macroscopic superconducting response is also evident in the magnetization data due to a weak diamagnetic signal below 10 K for H ∥ ab and a sizeable paramagnetic shift for H ∥ c that can be explained in terms of a vortex-pinning-induced flux compression. The LCMO layers maintain a strongly ferromagnetic state with a Curie temperature of TCurie ≈ 190 K and a large low-temperature saturation moment of about 3.5 (1) μB. These results suggest that the LSCO/LCMO superlattices can be used to study the interaction between the antagonistic ferromagnetic and superconducting orders and, in combination with previous studies on YBCO/LCMO superlattices, may allow one to identify the relevant mechanisms.« less

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

    SciTech Connect (OSTI)

    Xiaopeng Zong

    2007-12-01

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

  17. ALT-3 Target & CMU Version 4

    SciTech Connect (OSTI)

    Griego, Jeffrey R; Atchison, Walter L.; Holtkamp, David; Oro, David M.; Reinovsky, Robert E.; Rousculp, Christopher L.; Tabaka, Leonard J.

    2012-06-11

    The third Advance Liner Technology (ALT-3) experiment is the next in a long tradition of collaborations between LANL and RFNC/VNIIEF in high-explosive pulsed-power. Here a VNIIEF provided Disk Explosive Magnetic Generator (DEMG) will drive a LANL provided experimental load and diagnostic package. The objective of the experiment is to explore the use of a cylindrical liner-ontarget in tera-Pascal equation of state measurement. This presentation will discuss version 4 of the experimental target and central measuring unit (CMU) along with R & D already performed in fabrication of the target.

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

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

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

  19. Buildings Energy Data Book: 3.2 Commercial Sector Characteristics

    Buildings Energy Data Book [EERE]

    2 Principal Commercial Building Types, as of 2003 (Percent of Total Floorspace) (1) Office 17% 17% 19% Mercantile 16% 14% 18% Retail 6% 9% 5% Enclosed & Strip Malls 10% 4% 13% Education 14% 8% 11% Warehouse and Storage 14% 12% 7% Lodging 7% 3% 7% Service 6% 13% 4% Public Assembly 5% 6% 5% Religious Worship 5% 8% 2% Health Care 4% 3% 8% Inpatient 3% 0% 6% Outpatient 2% 2% 2% Food Sales 2% 5% 5% Food Service 2% 6% 6% Public Order and Safety 2% 1% 2% Other 2% 2% 4% Vacant 4% 4% 1% Total 100%

  20. Beamline 8.3.2

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

    8.3.2 Print Tuesday, 20 October 2009 08:56 Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological...

  1. Beamline 8.3.2

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

    3.2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION...

  2. Beamline 8.3.2

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

    8.3.2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE...

  3. 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.

  4. 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.

  5. Beamline 5.3.2.2

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

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

  6. Beamline 5.3.2.2

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

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

  7. Beamline 5.3.2.2

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

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

  8. Beamline 5.3.2.2

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

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

  9. Beamline 5.3.2.2

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

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

  10. Beamline 5.3.2.2

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

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

  11. Beamline 5.3.2.2

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

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

  12. Beamline 5.3.2.2

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

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

  13. 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

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

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

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

    2015-10-27

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

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

    SciTech Connect (OSTI)

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

    2014-01-01

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

  16. 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.

  17. Thickness dependence of magnetoelectric response for composites of Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} films on CoFe{sub 2}O{sub 4} ceramic substrates

    SciTech Connect (OSTI)

    Wang, Jing Zhu, Kongjun; Wu, Xia; Deng, Chaoyong; Peng, Renci; Wang, Jianjun

    2014-08-15

    Using chemical solution spin-coating we grew Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} films of different thicknesses on highly dense CoFe{sub 2}O{sub 4} ceramics. X-ray diffraction revealed no other phases except Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} and CoFe{sub 2}O{sub 4}. In many of these samples we observed typical ferroelectric hysteresis loops, butterfly-shaped piezoelectric strains, and the magnetic-field-dependent magnetostriction. These behaviors caused appreciable magnetoelectric responses based on magnetic-mechanical-electric coupling. Our results indicated that the thickness of the Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} film was important in obtaining strong magnetoelectric coupling.

  18. Beamline 5.3.2.2

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

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

  19. Beamline 5.3.2.2

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

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

  20. Beamline 5.3.2.2

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

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

  1. Beamline 5.3.2.2

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

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

  2. Beamline 5.3.2.2

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

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

  3. Beamline 5.3.2.2

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

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

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

    SciTech Connect (OSTI)

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

    2013-05-15

    Highlights: ► We adopt a new and simple thermolysis method to synthesise NaGdS{sub 2} compounds. ► The obtained NaGdS{sub 2} presents a microrod morphology with a length diameter ratio of 2.1. ► NaGdS{sub 2} has excellent transmission over a very wide range of wavelengths (>430 nm). ► The route may be used for the synthesis of other AREX{sub 2}-based materials or nanocrystals. - Abstract: A novel, simple thermolysis method is adopted to prepare alkali metal rare earth ternary sulphide NaGdS{sub 2} using Gd(S{sub 2}CNEt{sub 2}){sub 3-}phen complexes and NaS{sub 2}CNEt{sub 23H{sub 2}O mixtures as precursors in a nitrogen atmosphere at 600–1000 °C. The obtained NaGdS{sub 2} presents a microrod morphology with an average diameter of 112 nm, average length of 236 nm, and length diameter ratio of 2.1. Furthermore, the as-prepared NaGdS{sub 2} has excellent transmission over a very wide range of wavelengths (>430 nm) and may be an ideal IR window material.

  5. ADMINISTRATIVE RECORDS SCHEDULE 4: PROPERTY DISPOSAL RECORDS (Revision 2) |

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

    Department of Energy 4: PROPERTY DISPOSAL RECORDS (Revision 2) ADMINISTRATIVE RECORDS SCHEDULE 4: PROPERTY DISPOSAL RECORDS (Revision 2) These records pertain to the sales by agencies of real and personal property surplus to the needs of the Government. PDF icon ADMINISTRATIVE RECORDS SCHEDULE 4: PROPERTY DISPOSAL RECORDS (Revision 2) More Documents & Publications PROPERTY DISPOSAL RECORDS ADMINISTRATIVE RECORDS: PROCUREMENT, SUPPLY, AND GRANT RECORDS ADMINISTRATIVE RECORDS SCHEDULE 3:

  6. Data:63618e21-2a4f-46d0-8350-3b68af7c50d1 | Open Energy Information

    Open Energy Info (EERE)

    af7c50d1 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....

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

    SciTech Connect (OSTI)

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

    2006-09-15

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

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

    SciTech Connect (OSTI)

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

    2007-08-15

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

  9. Synthesis of g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} heterojunction with enhanced photocatalytic performance

    SciTech Connect (OSTI)

    He, Peizhi; Song, Limin; Zhang, Shujuan; Wu, Xiaoqing; Wei, Qingwu

    2014-03-01

    Graphical abstract: g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} heterojunction photocatalyst with visible-light response was prepared by a facile coprecipitation method. The results show that g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} possesses a much higher activity for the decomposition of RhB than that of the pure Ag{sub 3}PO{sub 4} particles. The most mechanism is that g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} heterojunction photocatalyst can efficiently separate the photogenerated electronhole pairs, enhancing the photocatalytic activity of g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} composites. - Highlights: g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} heterojunction showed much higher activity than that of Ag{sub 3}PO{sub 4}. The high activity could be attributed to g-C{sub 3}N{sub 4} for modifying Ag{sub 3}PO{sub 4}. More OH radicals may be significant reason to improve Ag{sub 3}PO{sub 4} activity. - Abstract: g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} heterojunction photocatalyst with visible-light response was prepared by a facile coprecipitation method. The photocatalysts were characterized by X-ray powder diffraction, transmission electron microscopy, UVvis absorption spectroscopy and Fourier transform infrared spectroscopy. The photocatalytic activities of the obtained samples were tested by using Rhodamine B (RhB) as the degradation target under visible light irradiation. g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} decomposed RhB more effectively than the pure Ag{sub 3}PO{sub 4} particles did, and 2 wt.% g-C{sub 3}N{sub 4} had the highest activity. Furthermore, 2 wt.% g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} degraded high-concentration RhB more potently than unmodified Ag{sub 3}PO{sub 4} did, probably because g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} heterojunction photocatalyst enhanced the photocatalytic activity by efficiently separating the photogenerated electronhole pairs.

  10. Twisted 3D N=4 supersymmetric YM on deformed A{sub 3}{sup *} lattice

    SciTech Connect (OSTI)

    Saidi, El Hassan

    2014-01-15

    We study a class of twisted 3D N=4 supersymmetric Yang-Mills (SYM) theory on particular 3-dimensional lattice L{sub 3D} formally denoted as L{sub 3D}{sup su{sub 3}×u{sub 1}} and given by non-trivial fibration L{sub 1D}{sup u{sub 1}}×L{sub 2D}{sup su{sub 3}} with base L{sub 2D}{sup su{sub 3}}=A{sub 2}{sup *}, the weight lattice of SU(3). We first, develop the twisted 3D N=4 SYM in continuum by using superspace method where the scalar supercharge Q is manifestly exhibited. Then, we show how to engineer the 3D lattice L{sub 3D}{sup su{sub 3}×u{sub 1}} that host this theory. After that we build the lattice action S{sub latt} invariant under the following three points: (i) U(N) gauge invariance, (ii) BRST symmetry, (iii) the S{sub 3} point group symmetry of L{sub 3D}{sup su{sub 3}×u{sub 1}}. Other features such as reduction to twisted 2D supersymmetry with 8 supercharges living on L{sub 2D}≡L{sub 2D}{sup su{sub 2}×u{sub 1}}, the extension to twisted maximal 5D SYM with 16 supercharges on lattice L{sub 5D}≡L{sub 5D}{sup su{sub 4}×u{sub 1}} as well as the relation with known results are also given.

  11. 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.

  12. Categorical Exclusion Determinations: B4.2

    Broader source: Energy.gov [DOE]

    B4.2: Export of electric energyExport of electric energy as provided by Section 202(e) of the Federal Power Act over existing transmission systems or using transmission system changes that are...

  13. Influence of Ga-concentration on the electrical and magnetic properties of magnetoelectric CoGaxFe2–xO4/BaTiO3 composite

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

    Ni, Yan; Zhang, Zhen; Nlebedim, Cajetan I.; Jiles, David C.

    2015-03-20

    Multiferroic materials exhibit magnetoelectric (ME) coupling and promise new device applications including magnetic sensors, generators, and filters. An effective method for developing ME materials with enhanced ME effect is achieved by the coupling through the interfacial strain between piezoelectric and magnetostrictive materials. In this study, the electrical and magnetic properties of Ga doped magnetoelectric CoGaxFe2–xO4/BaTiO3 composite are studied systematically. It is found that Ga doping improves the sensitivity of magnetoelastic response and stabilizes the magnetic phase of the composites. More importantly, Ga doping reduces the electrical conductivity of composite, as well as the dielectric loss. An enhancement of the electrostrainmore » with doping Ga is also observed. Quantitative estimation indicates that magnetoelectric coupling is enhanced for Ga-doped CoGaxFe2–xO4/BaTiO3 composites. As a result, the present work is beneficial to the practical application of composite CoFe2O4/BaTiO3-based multiferroic materials.« less

  14. Influence of Ga-concentration on the electrical and magnetic properties of magnetoelectric CoGaxFe2–xO4/BaTiO3 composite

    SciTech Connect (OSTI)

    Ni, Yan; Zhang, Zhen; Nlebedim, Cajetan I.; Jiles, David C.

    2015-03-20

    Multiferroic materials exhibit magnetoelectric (ME) coupling and promise new device applications including magnetic sensors, generators, and filters. An effective method for developing ME materials with enhanced ME effect is achieved by the coupling through the interfacial strain between piezoelectric and magnetostrictive materials. In this study, the electrical and magnetic properties of Ga doped magnetoelectric CoGaxFe2–xO4/BaTiO3 composite are studied systematically. It is found that Ga doping improves the sensitivity of magnetoelastic response and stabilizes the magnetic phase of the composites. More importantly, Ga doping reduces the electrical conductivity of composite, as well as the dielectric loss. An enhancement of the electrostrain with doping Ga is also observed. Quantitative estimation indicates that magnetoelectric coupling is enhanced for Ga-doped CoGaxFe2–xO4/BaTiO3 composites. As a result, the present work is beneficial to the practical application of composite CoFe2O4/BaTiO3-based multiferroic materials.

  15. 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

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

    SciTech Connect (OSTI)

    1988-12-01

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

  17. Beamline 11.3.2

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

    3.2 Beamline 11.3.2 Print Tuesday, 20 October 2009 09:23 Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5

  18. Beamline 9.3.2

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

    3.2 Beamline 9.3.2 Print Tuesday, 20 October 2009 09:06 Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011

  19. Oxygen surface exchange kinetics and stability of (La,Sr)2 CoO4±δ/La 1-xSrxMO3-δ (M = Co and Fe) hetero-interfaces at intermediate temperatures

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

    Lee, Dongkyu; Lee, Yueh-Lin; Hong, Wesley T.; Biegalski, Michael D.; Morgan, Dane; Shao-Horn, Yang

    2015-01-01

    Heterostructured oxide interfaces created by decorating Ruddlesden-Popper phases (A2BO4) or perovskites on perovskites have shown not only pronounced cation segregation at the interface and in the A2BO4 structure but also much enhanced kinetics for oxygen electrocatalysis at elevated temperatures. In this study, we report and compare the time-dependent surface exchange kinetics and stability of (La0.5Sr0.5)2CoO4 -decorated (LSC214) La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF113) and La0.8Sr0.2CoO3-δ (LSC113) thin films. While LSC214 decoration on LSC113 greatly reduced the degradation in the surface exchange kinetics as a function of time relative to LSC113, LSCF113 with LSC214 coverage showed comparable surface exchange kinetics and stability to LSCF113. Thismore » difference can be explained by greater surface stability of LSCF113 than LSC113 under testing conditions, and that LSC214 decoration on LSC113 reduced the decomposition of LSC113 to form secondary phases that impedes oxygen exchange kinetics, and thus resulted in enhanced stability. This hypothesis is supported by the observations that annealing at 550 °C led to the formation of Sr-rich secondary particles on LSC113 while no such particles were observed on LSCF113. Density functional theory (DFT) computation provides further support, which revealed greater capacity of surface Sr segregation for LSCF113 having SrO termination than LSC113 having (La0.25Sr0.75)O termination for the experimental conditions, and lower energy gain to move Sr from LSCF113 into LSC214 relative to the LSC214-LSC113 system.« less

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

    SciTech Connect (OSTI)

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

    2015-07-16

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

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

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

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

  2. Beamline 10.3.2

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

    0.3.2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE)

  3. Beamline 10.3.2

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

    0.3.2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE)

  4. Beamline 10.3.2

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

    0.3.2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE)

  5. Beamline 10.3.2

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

    10.3.2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE)

  6. Beamline 10.3.2

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

    0.3.2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE)

  7. Beamline 10.3.2

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    3.2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE) 7000

  8. Beamline 10.3.2

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

    3.2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE) 7000

  9. Beamline 10.3.2

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

    2 Beamline 10.3.2 Print Tuesday, 20 October 2009 09:15 Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7

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

    SciTech Connect (OSTI)

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

    2013-08-15

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

  11. 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.

  12. Buildings Energy Data Book: 3.4 Commercial Environmental Emissions

    Buildings Energy Data Book [EERE]

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

  13. 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.

  14. First-Principles Calculations, Electrochemical and X-ray Absorption Studies of Li-Ni-PO4 Surface-Treated xLi2MnO3 (1 x)LiMO2 (M = Mn, Ni, Co) Electrodes for Li-Ion Batteries

    SciTech Connect (OSTI)

    Wolverton, Christopher; Croy, J R; Balasubramanian, M; Kang, Sun-Ho; Lopez-Rivera, C. M.; Thackeray, Michael M.

    2012-01-01

    It has been previously hypothesized that the enhanced rate capability of Li-Ni-PO{sub 4}-treated xLi{sub 2}MnO{sub 3} {center_dot} (1-x)LiMO{sub 2} positive electrodes (M = Mn, Ni, Co) in Li-ion batteries might be associated with a defect Ni-doped Li{sub 3}PO{sub 4} surface structure [i.e., Li{sub 3-2y}Ni{sub y}PO{sub 4} (0 < y < 1)], thereby promoting fast Li{sup +}-ion conduction at the xLi{sub 2}MnO{sub 3} {center_dot} (1-x)LiMO{sub 2} particle surface. In this paper, the solubility of divalent metals (Fe, Mn, Ni, Mg) in {gamma}-Li{sub 3}PO{sub 4} is predicted with the first-principles GGA+U method in an effort to understand the enhanced rate capability. The predicted solubility (x) is extremely small; this finding is consistent with experimental evidence: 1) X-ray diffraction data obtained from Li-Ni-PO{sub 4}-treated xLi{sub 2}MnO{sub 3} {center_dot} (1-x)LiMO{sub 2} electrodes that show that, after annealing at 550 C, a Li{sub 3}PO{sub 4}-like structure forms as a second phase at the electrode particle surface, and 2) X-ray absorption spectroscopy, which indicate that the nickel ions are accommodated in the transition metal layers of the Li{sub 2}MnO{sub 3} component during the annealing process. However, electrochemical studies of Li{sub 3-2y}Ni{sub y}PO{sub 4}-treated xLi{sub 2}MnO{sub 3} {center_dot} (1-x)LiMO{sub 2} electrodes indicate that their rate capability increases as a function of y over the range y = 0 (Li{sub 3}PO{sub 4}) to y = 1 (LiNiPO{sub 4}), strongly suggesting that, at some level, the nickel ions play a role in reducing electrochemical impedance and increasing electrode stability at the electrode particle surface.

  15. Beamline 6.3.2

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

    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 sample 300

  16. Beamline 6.3.2

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

    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 sample 300

  17. Beamline 6.3.2

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

    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 sample 300

  18. Beamline 6.3.2

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

    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 sample 300

  19. Beamline 6.3.2

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

    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 sample 300

  20. table2.4_02.xls

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

    Number of Establishments by Nonfuel (Feedstock) Use of Combustible Energy, 2002; Level: National Data; Row: NAICS Codes (3-Digit Only); Column: Energy Sources; Unit: Establishment Counts. Any Combustible RSE NAICS Energy Residual Distillate Natural LPG and Coke Row Code(a) Subsector and Industry Source(b) Fuel Oil Fuel Oil(c) Gas(d) NGL(e) Coal and Breeze Other(f) Factors Total United States RSE Column Factors: 1.5 0.6 1.1 1 1.1 0.7 1 1.4 311 Food 406 W 152 185 0 0 4 83 9.6 311221 Wet Corn

  1. 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%

  2. Beamline 9.3.2

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

    3.2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  3. Beamline 9.3.2

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    3.2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  4. Beamline 9.3.2

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

    3.2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  5. Beamline 9.3.2

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

    3.2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  6. Beamline 9.3.2

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

    3.2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  7. Beamline 9.3.2

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

    3.2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  8. Beamline 9.3.2

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

    3.2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  9. Beamline 9.3.2

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

    3.2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  10. 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.

  11. Theoretical calculations and vibrational potential energy surface of 4-silaspiro(3,3)heptane

    SciTech Connect (OSTI)

    Ocola, Esther J.; Medders, Cross; Laane, Jaan; Meinander, Niklas

    2014-04-28

    Theoretical computations have been carried out on 4-silaspiro(3,3)heptane (SSH) in order to calculate its molecular structure and conformational energies. The molecule has two puckered four-membered rings with dihedral angles of 34.2 and a tilt angle of 9.4 between the two rings. Energy calculations were carried out for different conformations of SSH. These results allowed the generation of a two-dimensional ring-puckering potential energy surface (PES) of the form V = a(x{sub 1}{sup 4} + x{sub 2}{sup 4}) b(x{sub 1}{sup 2} + x{sub 2}{sup 2}) + cx{sub 1}{sup 2}x{sub 2}{sup 2}, where x{sub 1} and x{sub 2} are the ring-puckering coordinates for the two rings. The presence of sufficiently high potential energy barriers prevents the molecule from undergoing pseudorotation. The quantum states, wave functions, and predicted spectra resulting from the PESs were calculated.

  12. Buildings Energy Data Book: 3.4 Commercial Environmental Emissions

    Buildings Energy Data Book [EERE]

    6 2009 Methane Emissions for U.S. Commercial Buildings Energy Production, by Fuel Type (1) Fuel Type Petroleum 0.5 Natural Gas 26.8 Coal 0.3 Wood 0.4 Electricity (2) 50.5 Total 78.5 Note(s): Source(s): MMT CO2 Equivalent 1) Sources of emissions include oil and gas production, processing, and distribution; coal mining; and utility and site combustion. Carbon Dioxide equivalent units are calculated by converting methane emissions to carbon dioxide emissions (methane's global warming potential is

  13. 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.

  14. SSQ V2 N4_Final_28feb13.indd

    National Nuclear Security Administration (NNSA)

    4 * February 2013 Message from the Assistant Deputy Administrator for Stockpile Stewardship, Chris Deeney Defense Programs Stockpile Stewardship in Action Volume 2, Number 4 Inside this Issue 2 Accounting for Energy Changes in Hydro- dynamic Mixing: The Role of Enthalpy Diffusion 3 Fracture Model for Beryllium and Other Materials 5 Nuclear Plasma Interactions on the National Ignition Facility 7 Knudsen Layer Reduction of Fusion Reactivity 9 Awards and Highlights A number of years ago, Dr.

  15. Direct observation of surface ethyl to ethane interconversion uponC2H4 hydrogenation over Pt/Al2O3 catalyst by time-resolved FT-IRspectroscopy

    SciTech Connect (OSTI)

    Wasylenko, Walter; Frei, Heinz

    2004-12-10

    Time-resolved FT-IR spectra of ethylene hydrogenation over alumina-supported Pt catalyst were recorded at 25 ms resolution in the temperature range 323 to 473 K using various H2 flow rates (1 atm total gas pressure). Surface ethyl species (2870 and 1200 cm-1) were detected at all temperatures along with the gas phase ethane product (2954 and 2893 cm-1). The CH3CH2Pt growth was instantaneous on the time scale of 25ms under all experimental conditions. At 323 K, the decay time of surface ethyl (122 + 10 ms) coincides with the rise time of C2H6 (144 + 14 ms).This establishes direct kinetic evidence for surface ethyl as the kinetically relevant intermediate. Such a direct link between the temporal behavior of an observed intermediate and the final product growth in a heterogeneous catalytic system has not been demonstrated before to our knowledge. A fraction (10 percent) of the asymptotic ethane growth at 323 K is prompt, indicating that there are surface ethyl species that react much faster than the majority of the CH3CH2Pt intermediates. The dispersive kinetics is attributed to the varying strength of interaction of the ethyl species with the Pt surface caused by heterogeneity of the surface environment. At 473 K, the majority of ethyl intermediates are hydrogenated prior to the recording of the first time slice (24 ms), and a correspondingly large prompt growth of ethane is observed. The yield and kinetics of the surface ethylidyne are in agreement with the known spectator nature of this species.

  16. Beamline 11.3.2

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    1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format

  17. Beamline 11.3.2

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

    1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format

  18. Beamline 11.3.2

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

    1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format

  19. Beamline 11.3.2

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

    1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format

  20. Beamline 11.3.2

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

    1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format

  1. Beamline 11.3.2

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

    1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format

  2. Beamline 11.3.2

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

    1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format

  3. Beamline 11.3.2

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

    1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format

  4. Beamline 11.3.2

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

    1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format

  5. Beamline 11.3.2

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

    1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/ΔE) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format

  6. " 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...

  7. 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.

  8. 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.

  9. 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.

  10. In contrast to conventional inactivated influenza vaccines, 4xM2e.HSP70c fusion protein fully protected mice against lethal dose of H1, H3 and H9 influenza A isolates circulating in Iran

    SciTech Connect (OSTI)

    Ebrahimi, Seyyed Mahmoud, E-mail: smebrahimi@shirazu.ac.ir [Applied Biotechnology Research Center, Baqiyatallah University of Medical Sciences, P.O. Box 14155-3651,Tehran (Iran, Islamic Republic of); Research Center of Virus and Vaccine, Baqiyatallah University of Medical Science, P.O.Box 14155-3651, Tehran (Iran, Islamic Republic of); Dabaghian, Mehran [Department of Pathobiology, University of Tehran, Faculty of Veterinary Medicine, P.O. Box 14155-6453, Tehran (Iran, Islamic Republic of)] [Department of Pathobiology, University of Tehran, Faculty of Veterinary Medicine, P.O. Box 14155-6453, Tehran (Iran, Islamic Republic of); Tebianian, Majid [Department of Biotechnology, Razi Vaccine and Serum Research Institute (RVSRI), P.O. Box 31975/148, Karaj, Tehran (Iran, Islamic Republic of)] [Department of Biotechnology, Razi Vaccine and Serum Research Institute (RVSRI), P.O. Box 31975/148, Karaj, Tehran (Iran, Islamic Republic of); Zabeh Jazi, Mohammad Hossein [Department of Pathobiology, University of Tehran, Faculty of Veterinary Medicine, P.O. Box 14155-6453, Tehran (Iran, Islamic Republic of)] [Department of Pathobiology, University of Tehran, Faculty of Veterinary Medicine, P.O. Box 14155-6453, Tehran (Iran, Islamic Republic of)

    2012-08-15

    Ideal vaccines against influenza viruses should elicit not only a humoral response, but also a cellular response. Mycobacterium tuberculosis HSP70 (mHSP70) have been found to promote immunogenic APCs function, elicit a strong cytotoxic T lymphocyte (CTL) response, and prevent the induction of tolerance. Moreover, it showed linkage of antigens to the C-terminus of mHSP70 (mHSP70c) can represent them as vaccines resulted in more potent, protective antigen specific responses in the absence of adjuvants or complex formulations. Hence, recombinant fusion protein comprising C-terminus of mHSP70 genetically fused to four tandem repeats of the ectodomain of the conserved influenza matrix protein M2 (M2e) was expressed in Escherichia coli, purified under denaturing condition, refolding, and then confirmed by SDS-PAGE, respectively. The recombinant fusion protein, 4xM2e.HSP70c, retained its immunogenicity and displayed the protective epitope of M2e by ELISA and FITC assays. A prime-boost administration of 4xM2e.HSP70c formulated in F105 buffer by intramuscular route in mice (Balb/C) provided full protection against lethal dose of mouse-adapted H1N1, H3N2, or H9N2 influenza A isolates from Iran compared to 0-33.34% survival rate of challenged unimmunized and immunized mice with the currently in use conventional vaccines designated as control groups. However, protection induced by immunization with 4xM2e.HSP70c failed to prevent weight loss in challenged mice; they experienced significantly lower weight loss, clinical symptoms and higher lung viral clearance in comparison with protective effects of conventional influenza vaccines in challenged mice. These data demonstrate that C-terminal domain of mHSP70 can be a superior candidate to deliver the adjuvant function in M2e-based influenza A vaccine in order to provide significant protection against multiple influenza A virus strains.

  11. IDIQ BS Ex A (Rev. 3.4, 12/15/14) Exhibit A General Conditions

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

    4, 12/15/14) Exhibit A General Conditions Page 1 of 20 EXHIBIT "A" GENERAL CONDITIONS TABLE OF CONTENTS GC Title Page GC-1 DEFINITIONS (Aug 2012) ......................................................................................................... 3 GC-2A AUTHORIZED REPRESENTATIVES, COMMUNICATIONS AND NOTICES (Jan 2010) ....... 3 GC-3 INDEPENDENT CONTRACTOR (Jun 2009) ............................................................................ 4 GC-4 SUBCONTRACT INTERPRETATION (Jun

  12. Fluorocarbon assisted atomic layer etching of SiO2 and Si using cyclic Ar/C4F8 and Ar/CHF3 plasma

    SciTech Connect (OSTI)

    Metzler, Dominik; Li, Chen; Engelmann, Sebastian; Bruce, Robert L.; Joseph, Eric A.; Oehrlein, Gottlieb S.

    2015-11-11

    The need for atomic layer etching (ALE) is steadily increasing as smaller critical dimensions and pitches are required in device patterning. A flux-control based cyclic Ar/C4F8 ALE based on steady-state Ar plasma in conjunction with periodic, precise C4F8 injection and synchronized plasma-based low energy Ar+ ion bombardment has been established for SiO2.1 In this work, the cyclic process is further characterized and extended to ALE of silicon under similar process conditions. The use of CHF3 as a precursor is examined and compared to C4F8. CHF3 is shown to enable selective SiO2/Si etching using a fluorocarbon (FC) film build up. Other critical process parameters investigated are the FC film thickness deposited per cycle, the ion energy, and the etch step length. Etching behavior and mechanisms are studied using in situ real time ellipsometry and X-ray photoelectron spectroscopy. Silicon ALE shows less self-limitation than silicon oxide due to higher physical sputtering rates for the maximum ion energies used in this work, ranged from 20 to 30 eV. The surface chemistry is found to contain fluorinated silicon oxide during the etching of silicon. As a result, plasma parameters during ALE are studied using a Langmuir probe and establish the impact of precursor addition on plasma properties.

  13. AcqGuide4.2-OPAM | Department of Energy

    Energy Savers [EERE]

    AcqGuide4.2-OPAM AcqGuide4.2-OPAM Requirements for Contracting with Public Relations Firms PDF icon AcqGuide4.2-OPAM More Documents & Publications Chapter 4 - Administrative...

  14. 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.

  15. Data:B485777c-c4fb-42b3-8d2a-3da95f7c7c10 | Open Energy Information

    Open Energy Info (EERE)

    a-3da95f7c7c10 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...

  16. Material Property Correlations: Comparisons between FRAPCON-3.4, FRAPTRAN 1.4, and MATPRO

    SciTech Connect (OSTI)

    Luscher, Walter G.; Geelhood, Kenneth J.

    2010-08-01

    The U.S. Nuclear Regulatory Commission (NRC) uses the computer codes FRAPCON-3 and FRAPTRAN to model steady state and transient fuel behavior, respectively, in regulatory analysis. In order to effectively model fuel behavior, material property correlations must be used for a wide range of operating conditions (e.g. temperature and burnup). In this sense, a 'material property' is a physical characteristic of the material whose quantitative value is necessary in the analysis process. Further, the property may be used to compare the benefits of one material versus another. Generally speaking, the material properties of interest in regulatory analysis of nuclear fuel behavior are mechanical or thermodynamic in nature. The issue of what is and is not a 'material property' will never be universally resolved. In this report, properties such as thermal conductivity are included. Other characteristics of the material (e.g. fission gas release) are considered 'models' rather than properties, and are discussed elsewhere. Still others (e.g., neutron absorption cross-section) are simply not required in this specific analysis. The material property correlations for the FRAPCON-3 and FRAPTRAN computer codes were documented in NUREG/CR-6534 and NUREG/CR-6739, respectively. Some of these have been modified or updated since the original code documentation was published. The primary purpose of this report is to consolidate the current material property correlations used in FRAPCON-3 and FRAPTRAN into a single document. Material property correlations for oxide fuels, including uranium dioxide (UO2) and mixed oxide (MOX) fuels, are described in Section 2. Throughout this document, the term MOX will be used to describe fuels that are blends of uranium and plutonium oxides, (U,Pu)O2. The properties for uranium dioxide with other additives (e.g., gadolinia) are also discussed. Material property correlations for cladding materials and gases are described in Sections 3 and 4, respectively. In addition to describing the material property correlations used in the subroutines of FRAPCON-3 and FRAPTRAN, this report also provides a variety of comparisons between material property correlations and data. Although they are frequently identical, comparisons are made between the material property correlations used in the FRAPCON-3 and FRAPTRAN codes. Comparisons are also made between the material property correlations used in MATPRO, a compilation of fuel and cladding material property correlations with an extensive history of used with various fuel performance and severe accident codes. For a number of reasons, consistency between the material property correlations in FRAPCON-3, FRAPTRAN, and MATPRO has never been complete. However, the current versions of FRAPCON-3 and FRAPTRAN use a relatively consistent set of correlations for the properties that are used by both codes. The material property correlations in the most recent version of MATPRO are documented in Volume 4 of NUREG/CR-6150. In addition to comparison of the various correlations, correlation-to-data comparisons are also made with FRAPCON-3, FRAPTRAN, and MATPRO. All comparisons made in this report are based on the material property correlations used in the most recent version of the FRAPCON-3 and FRAPTRAN codes, FRAPCON-3.4 and FRAPTRAN 1.4. The source code for each material property correlation discussed will be provided for FRAPCON-3.4 and FRAPTRAN 1.4 (see appendix) as well as a range of applicability and an estimate of uncertainty where possible.

  17. Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase

    SciTech Connect (OSTI)

    Cody, Vivian; Piraino, Jennifer; Pace, Jim; Li, Wei; Gangjee, Aleem

    2010-12-01

    The structures of six chirally mixed E/Z-isomers of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines reveals only one isomer is bound in the active site of human DHFR. The configuration of all but one C9-analogue is observed as the E-isomer. The crystal structures of six human dihydrofolate reductase (hDHFR) ternary complexes with NADPH and a series of mixed E/Z isomers of 5-substituted 5-[2-(2-methoxyphenyl)-prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamines substituted at the C9 position with propyl, isopropyl, cyclopropyl, butyl, isobutyl and sec-butyl (E2E7, Z3) were determined and the results were compared with the resolved E and Z isomers of the C9-methyl parent compound. The configuration of all of the inhibitors, save one, was observed as the E isomer, in which the binding of the furopyrimidine ring is flipped such that the 4-amino group binds in the 4-oxo site of folate. The Z3 isomer of the C9-isopropyl analog has the normal 2,4-diaminopyrimidine ring binding geometry, with the furo oxygen near Glu30 and the 4-amino group interacting near the cofactor nicotinamide ring. Electron-density maps for these structures revealed the binding of only one isomer to hDHFR, despite the fact that chiral mixtures (E:Z ratios of 2:1, 3:1 and 3:2) of the inhibitors were incubated with hDHFR prior to crystallization. Superposition of the hDHFR complexes with E2 and Z3 shows that the 2?-methoxyphenyl ring of E2 is perpendicular to that of Z3. The most potent inhibitor in this series is the isopropyl analog Z3 and the least potent is the isobutyl analog E6, consistent with data that show that the Z isomer makes the most favorable interactions with the active-site residues. The isobutyl moiety of E6 is observed in two orientations and the resultant steric crowding of the E6 analog is consistent with its weaker activity. The alternative binding modes observed for the furopyrimidine ring in these E/Z isomers suggest that new templates can be designed to probe these binding regions of the DHFR active site.

  18. Trinity Capability Improvement v2.4

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

    Trinity C apability I mprovement M etric June 2 1, 2 013 Trinity C apability I mprovement M etric Introduction The p urpose o f t his d ocument i s t o p rovide a d etailed d escription a nd r un r ules f or the a pplications t o b e u sed f or t he T rinity C apability I mprovement ( CI) m etric. There will be three (3) applications used, o ne f rom e ach o f t he t hree N NSA laboratories: S IERRA ( SNL), P ARTISN ( LANL) a nd Q box ( LLNL). T hese a pplications were s elected a s r

  19. Assessment of the Group 3-4 (HV-S1, HV-S2, IHLW-S1) Stack Sampling Probe Locations for Compliance with ANSI/HPS N13.1-1999

    SciTech Connect (OSTI)

    Glissmeyer, John A.; Flaherty, Julia E.; Antonio, Ernest J.

    2013-01-01

    This document reports on a series of tests conducted to assess the proposed air sampling locations for the Hanford Tank Waste Treatment and Immobilization Plant (WTP) Group 3-4 exhaust stacks with respect to the applicable criteria regarding the placement of an air sampling probe. The HV-S1, HV-S2, and IHLW-S1 exhaust stacks were tested together as a group (Test Group 3-4) because they share a geometric attribute: the common factor in their design is that the last significant flow disturbance upstream of the air sampling probe is a jog (i.e., two conjoined bends of equal and opposite curvature resulting in a change in elevation of the duct). Federal regulations require that a sampling probe be located in the exhaust stack according to criteria established by the American National Standards Institute/Health Physics Society (ANSI/HPS) N13.1-1999, Sampling and Monitoring Releases of Airborne Radioactive Substances from the Stack and Ducts of Nuclear Facilities. These criteria address the capability of the sampling probe to extract a sample that represents the effluent stream.

  20. 2.3-MW Medium-Voltage, Three-Level Wind Energy Inverter Applying a Unique Bus Structure and 4.5-kV Si/SiC Hybrid Isolated Power Modules: Preprint

    SciTech Connect (OSTI)

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

    2014-11-01

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

  1. Categorical Exclusion Determinations: B3.4 | Department of Energy

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

    Existing Regulations B3.4: Transport packaging tests for radioactive or hazardous material Drop, puncture, water-immersion, thermal, and fire tests of transport packaging for ...

  2. Categorical Exclusion Determinations: B4.3 | Department of Energy

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

    Existing Regulations B4.3: Electric power marketing rate changes Rate changes for electric power, power transmission, and other products or services provided by a Power Marketing ...

  3. California Public Resources Code Division 3, Chapter 4 - Geothermal...

    Open Energy Info (EERE)

    Public Resources Code Division 3, Chapter 4 - Geothermal Resources Jump to: navigation, search OpenEI Reference LibraryAdd to library Legal Document- StatuteStatute: California...

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

    Energy Science and Technology Software Center (OSTI)

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

  5. Failure mode analysis for lime/limestone FGD systems. Volume 3. Plant profiles. Part 2

    SciTech Connect (OSTI)

    Kenney, S.M.; Rosenberg, H.S.; Nilsson, L.I.O.; Oxley, J.H.

    1984-08-01

    Plant profiles are given for the following plants: Tombigbee 2, 3; Apache 2, 3; Cholla 1, 2; Four Corners 1, 2, 3; Laramie River 1; Green 1, 2; Duck Creek 1; Craig 1, 2; Conesville 5, 6; Coal Creek 1, 2; Elrama 1, 2, 3, 4; and Phillips 1, 2, 3, 4, 5, 6. (DLC)

  6. Synthesis, characterization and optical properties of NH{sub 4}Dy(PO{sub 3}){sub 4}

    SciTech Connect (OSTI)

    Chemingui, S.; Ferhi, M. Horchani-Naifer, K.; Férid, M.

    2014-09-15

    Polycrystalline powders of NH{sub 4}Dy(PO{sub 3}){sub 4} polyphosphate have been grown by the flux method. This compound was found to be isotopic with NH{sub 4}Ce(PO{sub 3}){sub 4} and RbHo(PO{sub 3}){sub 4}. It crystallizes in the monoclinic space group P2{sub 1/n} with unit cell parameters a=10.474(6) Å, b=9.011(4) Å, c=10.947(7) Å and β=106.64(3)°. The title compound has been transformed to triphosphate Dy(PO{sub 3}){sub 3} after calcination at 800 °C. Powder X-ray diffraction, infrared and Raman spectroscopies and the differential thermal analysis have been used to identify these materials. The spectroscopic properties have been investigated through absorption, excitation, emission spectra and decay curves of Dy{sup 3+} ion in both compounds at room temperature. The emission spectra show the characteristic emission bands of Dy{sup 3+} in the two compounds, before and after calcination. The integrated emission intensity ratios of the yellow to blue (I{sub Y}/I{sub B}) transitions and the chromaticity properties have been determined from emission spectra. The decay curves are found to be double-exponential. The non-exponential behavior of the decay rates was related to the resonant energy transfer as well as cross-relaxation between the donor and acceptor Dy{sup 3+} ions. The determined properties have been discussed as function of crystal structure of both compounds. They reveal that NH{sub 4}Dy(PO{sub 3}){sub 4} is promising for white light generation but Dy(PO{sub 3}){sub 3} is potential candidates in field emission display (FED) and plasma display panel (PDP) devices. - Graphical abstract: The CIE color coordinate diagrams showing the chromatic coordinates of Dy{sup 3+} luminescence in NH{sub 4}Dy(PO{sub 3}){sub 4} and Dy(PO{sub 3}){sub 3}. - Highlights: • The polycrystalline powders of NH{sub 4}Dy(PO{sub 3}){sub 4} and Dy(PO{sub 3}){sub 3} are synthesized. • The obtained powders are characterized. • The spectroscopic properties of Dy{sup 3+} ion are investigated. • Results are discussed as function of crystal structure and chemical composition. • The usefulness of NH{sub 4}Dy(PO{sub 3}){sub 4} and Dy(PO{sub 3}){sub 3} in optical devices is revealed.

  7. Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH{sub 4} ? H{sub 2} + CH{sub 3} reaction on a neural network PES

    SciTech Connect (OSTI)

    Welsch, Ralph Manthe, Uwe

    2015-02-14

    Initial state-selected reaction probabilities of the H + CH{sub 4} ? H{sub 2} + CH{sub 3} reaction are calculated in full and reduced dimensionality on a recent neural network potential [X. Xu, J. Chen, and D. H. Zhang, Chin. J. Chem. Phys. 27, 373 (2014)]. The quantum dynamics calculation employs the quantum transition state concept and the multi-layer multi-configurational time-dependent Hartree approach and rigorously studies the reaction for vanishing total angular momentum (J = 0). The calculations investigate the accuracy of the neutral network potential and study the effect resulting from a reduced-dimensional treatment. Very good agreement is found between the present results obtained on the neural network potential and previous results obtained on a Shepard interpolated potential energy surface. The reduced-dimensional calculations only consider motion in eight degrees of freedom and retain the C{sub 3v} symmetry of the methyl fragment. Considering reaction starting from the vibrational ground state of methane, the reaction probabilities calculated in reduced dimensionality are moderately shifted in energy compared to the full-dimensional ones but otherwise agree rather well. Similar agreement is also found if reaction probabilities averaged over similar types of vibrational excitation of the methane reactant are considered. In contrast, significant differences between reduced and full-dimensional results are found for reaction probabilities starting specifically from symmetric stretching, asymmetric (f{sub 2}-symmetric) stretching, or e-symmetric bending excited states of methane.

  8. Meeting Materials: November 3-4, 2003 | Department of Energy

    Energy Savers [EERE]

    November 3-4, 2003 Meeting Materials: November 3-4, 2003 PDF icon Meeting Minutes PDF icon Presentation: Overview of World and U.S. Energy Data Projections by Howard Gruenspecht More Documents & Publications Meeting Materials: May 18-19, 2004 Meeting Materials: Sept. 30 - Oct. 1, 2002

  9. Proposed Southline Transmission Line Project - Volume 3 of 4...

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

    Right-of-Way ... G-1 11 12 13 VOLUME SUMMARY 14 15 Volume 1 - Executive Summary, Chapters 1, 2, and 3 16 Volume 2 -...

  10. 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.

  11. Beamline 8.3.2

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

    INFORMATION Operational Yes Source characteristics Superbend magnet (1.9 GeV, 4.37 tesla) Energy range 6-46 keV ML mode Monochromator None or two ML or two Si(111) Flux (1.9...

  12. Structure and optical properties of a noncentrosymmetric borate RbSr{sub 4}(BO{sub 3}){sub 3}

    SciTech Connect (OSTI)

    Xia, M.J.; Li, R.K.

    2013-01-15

    A new noncentrosymmetric borate, RbSr{sub 4}(BO{sub 3}){sub 3} (abbreviated as RSBO), has been grown from Rb{sub 2}O--B{sub 2}O{sub 3}--RbF flux and its crystal structure was determined by single crystal x-ray diffraction. It crystallizes in space group Ama2 with cell parameters of a=11.128(10) A, b=12.155(15) A, c=6.952(7) A, Z=4. The basic structural units are isolated planar BO{sub 3} groups. Second harmonic generation (SHG) test of the title compound by the Kurtz-Perry method shows that RSBO can be phase matchable with an effective SHG coefficient about two-thirds as large as that of KH{sub 2}PO{sub 4} (KDP). Finally, based on the anionic group approximation, the optical properties of the title compound are compared with those of the structure-related apatite-like compounds with the formula 'A{sub 5}(TO{sub n}){sub 3}X'. - Graphical abstract: RbSr{sub 4}(BO{sub 3}){sub 3} and some other borate NLO compounds, namely Ca{sub 5}(BO{sub 3}){sub 3}F RCa{sub 4}(BO{sub 3}){sub 3}O (R=Y or Gd) and Na{sub 3}La{sub 2}(BO{sub 3}){sub 3} can be viewed as the derivatives of apatite. They have similar formula composed of five cations and three anion groups (we call them 5/3 structures). The detailed SHG coefficients and optical properties of the apatite-like NLO crystals were compared and summarized. Highlights: Black-Right-Pointing-Pointer A new noncentrosymmetric borate RbSr{sub 4}(BO{sub 3}){sub 3} was grown from flux. Black-Right-Pointing-Pointer The RbSr{sub 4}(BO{sub 3}){sub 3} can be viewed as a derivative of the apatite-like structure. Black-Right-Pointing-Pointer The structure and its relationship to the optical properties of RbSr{sub 4}(BO{sub 3}){sub 3} are compared with other NLO crystals with apatite-like structures. Black-Right-Pointing-Pointer The basic structural units are the planar BO{sub 3} groups in the structure. Black-Right-Pointing-Pointer Second harmonic generation (SHG) test shows that RbSr{sub 4}(BO{sub 3}){sub 3} can be phase matchable with an effective SHG coefficient about two-thirds as large as that of KH{sub 2}PO{sub 4}.

  13. R&D Ex A (Rev. 3.4, 3/6/15) Exhibit A General Conditions

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

    4, 3/6/15) Exhibit A General Conditions Page 1 of 21 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

  14. [PATCHED] python/2.7.4 gzip package fails

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

    PATCHED python2.7.4 gzip package fails PATCHED python2.7.4 gzip package fails September 24, 2013 by Doug Jacobsen The modules version of python (python2.7.4) had a bug in...

  15. Beamline 9.3.2

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

    2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure...

  16. Beamline 8.3.2

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

    2 Print Tomography Scientific disciplines: Applied science, biology, earth sciences, energy, environmental sciences, geology, cosmological chemistry GENERAL BEAMLINE INFORMATION...

  17. AGR 3/4 Irradiation Test Final As Run Report

    SciTech Connect (OSTI)

    Collin, Blaise P.

    2015-06-01

    Several fuel and material irradiation experiments have been planned for the Idaho National Laboratory Advanced Reactor Technologies Technology Development Office Advanced Gas Reactor Fuel Development and Qualification Program (referred to as the INL ART TDO/AGR fuel program hereafter), which supports the development and qualification of tristructural-isotropic (TRISO) coated particle fuel for use in HTGRs. The goals of these experiments are to provide irradiation performance data to support fuel process development, qualify fuel for normal operating conditions, support development and validation of fuel performance and fission product transport models and codes, and provide irradiated fuel and materials for post irradiation examination and safety testing (INL 05/2015). AGR-3/4 combined the third and fourth in this series of planned experiments to test TRISO coated low enriched uranium (LEU) oxycarbide fuel. This combined experiment was intended to support the refinement of fission product transport models and to assess the effects of sweep gas impurities on fuel performance and fission product transport by irradiating designed-to-fail fuel particles and by measuring subsequent fission metal transport in fuel-compact matrix material and fuel-element graphite. The AGR 3/4 fuel test was successful in irradiating the fuel compacts to the burnup and fast fluence target ranges, considering the experiment was terminated short of its initial 400 EFPD target (Collin 2015). Out of the 48 AGR-3/4 compacts, 42 achieved the specified burnup of at least 6% fissions per initial heavy-metal atom (FIMA). Three capsules had a maximum fuel compact average burnup < 10% FIMA, one more than originally specified, and the maximum fuel compact average burnup was <19% FIMA for the remaining capsules, as specified. Fast neutron fluence fell in the expected range of 1.0 to 5.5×1025 n/m2 (E >0.18 MeV) for all compacts. In addition, the AGR-3/4 experiment was globally successful in keeping the temperature in the twelve capsules relatively flat in a range of temperatures suitable for the measurement of fission product diffusion in compact matrix and structural graphite materials.

  18. Effect of thickness on the stress and magnetoelectric coupling in bilayered Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3}-CoFe{sub 2}O{sub 4} films

    SciTech Connect (OSTI)

    Wang, Jing E-mail: cwnan@tsinghua.edu.cn; Li, Zheng; Wang, Jianjun; Nan, Cewen E-mail: cwnan@tsinghua.edu.cn; He, Hongcai

    2015-01-28

    Magnetoelectric bilayered Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3}-CoFe{sub 2}O{sub 4}(PZT-CFO) films with different PZT thicknesses were grown on (111)Pt/Ti/SiO{sub 2}/Si substrates using chemical solution spin-coating. Structural characterization by X-ray diffraction and electron microscopy shows pure phases and well-defined interfaces between the PZT and CFO films. The CFO-PZT-substrate structure effectively alleviates the substrate clamping effect for the CFO layer, showing appreciable magnetoelectric responses in the composite films. Both the direct magnetoelectric effect and the magnetic field-induced Raman shifts in the A{sub 1}(TO{sub 1}) soft mode of PZT demonstrate the magnetic-mechanical-electric coupling in the films. The results also indicate that with a constant CFO layer thickness, the thickness of the PZT layer plays an important role in the stress relaxation and strong magnetoelectric coupling. The coupling could be further enhanced by increasing the CFO thickness, optimizing the volume (thickness) fraction of the PZT thickness, and releasing the clamping effect from the substrate.

  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...

  20. Beamline 10.3.2

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

    2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE) 7000

  1. Beamline 10.3.2

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

    2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE) 7000

  2. Beamline 10.3.2

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

    2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE) 7000

  3. Beamline 10.3.2

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

    2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE) 7000

  4. Beamline 10.3.2

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

    2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE) 7000

  5. Beamline 10.3.2

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

    2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE) 7000

  6. Beamline 10.3.2

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

    2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE) 7000

  7. Beamline 10.3.2

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

    2 Print Environmental and Materials Science, Micro X-Ray Absorption Spectroscopy (µXAS, µEXAFS) Scientific disciplines: Earth and environmental science, material science GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet (beamline optics collect 0.166 horizontal mrad) Energy range 2.5-17 keV Monochromator Monochromatic, with Si(111) two-crystal, constant-exit monochromator Measured flux 9 x 109 photons/s into 16 x 7 µm2 spot at 6 keV Resolving power (E/ΔE) 7000

  8. Synthesis of Bi{sub 1.8}Pb{sub 0.4}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub x} superconductor

    DOE Patents [OSTI]

    Smith, M.G.

    1996-10-29

    Two-powder processes for the synthesis of superconducting (Bi, Pb)-2223/Ag-clad wires by the oxide-powder-in-the-robe are provided. The first precursor powder, of nominal stoichiometry CaCuO{sub x}, is a solution-synthesized mixture of Ca{sub 0.45}Cu{sub 0.55}O{sub 2} and CaO. Using these oxide precursor mixtures, superconducting tapes with well-aligned grains and reproducible critical current densities J{sub c} in the range of 20,000 to 26,000 A/cm{sup 2} at 75 K in self-field after annealing less than 200 hours were obtained. 2 figs.

  9. mol2.3.dvi

    Office of Scientific and Technical Information (OSTI)

    492 Self-contained Kondo effect in single molecules C. H. Booth, 1 M. D. Walter, 1 M. Daniel, 1 W. W. Lukens, 1 and R. A. Andersen 1, 2 1 Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA 2 Department of Chemistry, University of California, Berkeley, California 94720, USA (Dated: Phys. Rev. Lett., in press as of Oct. 28, 2005) Kondo coupling of f and conduction electrons is a common feature of f -electron intermetallics. Similar effects should

  10. Table 3.2 Fuel Consumption, 2010;

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

    52 9 2 * 22 * 0 0 18 325193 Ethyl Alcohol 307 25 0 * 252 * 25 0 4 325199 Other ... 7 1 1 * 5 * 0 0 * 325193 Ethyl Alcohol 2 * 0 * 2 * 0 0 0 325199 Other Basic ...

  11. Conversion of CH{sub 4}/CO{sub 2} to syngas over Ni-Co/Al{sub 2}O{sub 3}-ZrO{sub 2} nanocatalyst synthesized via plasma assisted co-impregnation method: Surface properties and catalytic performance

    SciTech Connect (OSTI)

    Rahemi, Nader; Haghighi, Mohammad; Reactor and Catalysis Research Center , Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz ; Akbar Babaluo, Ali; Nanostructure Material Research Center , Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz ; Fallah Jafari, Mahdi; Khorram, Sirous

    2013-09-07

    Ni/Al{sub 2}O{sub 3} catalyst promoted by Co and ZrO{sub 2} was prepared by co-impregnation method and treated with glow discharge plasma. The catalytic activity of the synthesized nanocatalysts has been tested toward conversion of CH{sub 4}/CO{sub 2} to syngas. The physicochemical characterizations like XRD, EDX, FESEM, TEM, BET, FTIR, and XPS show that plasma treatment results in smaller particle size, more surface concentration, and uniform morphology. The dispersion of nickel in plasma-treated nanocatalyst was also significantly improved, which was helpful for controlling the ensemble size of active phase atoms on the support surface. Improved physicochemical properties caused 20%30% enhancement in activity of plasma-treated nanocatalyst that means to achieve the same H{sub 2} or CO yield, the plasma-treated nanocatalyst needed about 100 C lower reaction temperature. The H{sub 2}/CO ratio got closer to 1 at higher temperatures and finally at 850 C H{sub 2}/CO = 1 is attained for plasma-treated nanocatalyst. Plasma-treated nanocatalyst due to smaller Ni particles and strong interaction between active phase and support has lower tendency to keep carbon species on its structure and hence excellent stability can be observed for this catalyst.

  12. Buildings Energy Data Book: 2.3 Residential Sector Expenditures

    Buildings Energy Data Book [EERE]

    8 2035 Residential Energy End-Use Expenditure Splits, by Fuel Type ($2010 Billion) (1) Natural Petroleum Gas Distil. LPG Kerosene Total Coal Electricity Total Percent Space Heating (2) 44.3 10.3 7.7 18.6 0.0 16.0 79.0 27.4% Space Cooling (3) 0.0 40.6 40.6 14.1% Water Heating 17.6 1.2 1.2 2.3 17.7 37.6 13.0% Lighting 15.5 15.5 5.4% Refrigeration (4) 17.0 17.0 5.9% Electronics (5) 14.2 14.2 4.9% Wet Cleaning (6) 0.9 10.4 11.3 3.9% Cooking 3.2 0.8 0.8 4.8 8.9 3.1% Computers 8.7 8.7 3.0% Other (7)

  13. Synthesis of Bi.sub.1.8 Pb.sub.0.4 Sr.sub.2 Ca.sub.2 Cu.sub.3 O.sub.x superconductor

    DOE Patents [OSTI]

    Smith, Michael G.

    1996-01-01

    Two-powder processes for the synthesis of superconducting (Bi, Pb)-2223/Ag-clad wires by the oxide-powder-in-the-robe are provided. The first precursor powder, of nominal stoichiometry CaCuO.sub.x, is a solution-synthesized mixture of Ca.sub.0.45 Cu.sub.0.55 O.sub.2 and CaO. Using these oxide precursor mixtures, superconducting tapes with well-aligned grains and reproducible critical current densities J.sub.c in the range of 20,000 to 26,000 A/cm.sup.2 at 75 K in self-field after annealing less than 200 hours were obtained.

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  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. Influence of the Torsion Angle in 3,3'-Dimethyl-2,2'-bipyridine on the

    Office of Scientific and Technical Information (OSTI)

    Intermediate Valence of Yb in (C5Me5)2 Yb(3,3'-Me2-bipy) (Journal Article) | SciTech Connect Influence of the Torsion Angle in 3,3'-Dimethyl-2,2'-bipyridine on the Intermediate Valence of Yb in (C5Me5)2 Yb(3,3'-Me2-bipy) Citation Details In-Document Search Title: Influence of the Torsion Angle in 3,3'-Dimethyl-2,2'-bipyridine on the Intermediate Valence of Yb in (C5Me5)2 Yb(3,3'-Me2-bipy) The synthesis and X-ray crystal structures of Cp-2*Yb(3,3'-Me(2)bipy) and [Cp-2 Yb(3,3'-Me(2)bipy)][Cp-2

  1. Table HC3.4 Space Heating Characteristics by Owner-Occupied Housing Unit, 2005

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

    .4 Space Heating Characteristics by Owner-Occupied Housing Unit, 2005 Million U.S. Housing Units Total................................................................ 111.1 78.1 64.1 4.2 1.8 2.3 5.7 Do Not Have Space Heating Equipment....... 1.2 0.6 0.3 N Q Q Q Have Main Space Heating Equipment.......... 109.8 77.5 63.7 4.2 1.8 2.2 5.6 Use Main Space Heating Equipment............ 109.1 77.2 63.6 4.2 1.8 2.1 5.6 Have Equipment But Do Not Use It.............. 0.8 0.3 Q N Q Q Q Main Heating Fuel

  2. O3-type layered transition metal oxide Na(NiCoFeTi)1/4O2 as a high rate and long cycle life cathode material for sodium ion batteries

    SciTech Connect (OSTI)

    Yue, Ji -Li; Yang, Xiao -Qing; Zhou, Yong -Ning; Yu, Xiqian; Bak, Seong -Min; Fu, Zheng -Wen

    2015-10-09

    High rate capability and long cycle life are challenging goals for the development of room temperature sodium-ion batteries. Here we report a new single phase quaternary O3-type layer-structured transition metal oxide Na(NiCoFeTi)1/4O2 synthesized by a simple solid-state reaction as a new cathode material for sodium-ion batteries. It can deliver a reversible capacity of 90.6 mA h g–1 at a rate as high as 20C. At 5C, 75.0% of the initial specific capacity can be retained after 400 cycles with a capacity-decay rate of 0.07% per cycle, demonstrating a superior long-term cyclability at high current density. X-ray diffraction and absorption characterization revealed reversible phase transformations and electronic structural changes during the Na+ deintercalation/intercalation process. Ni, Co and Fe ions contribute to charge compensation during charge and discharge. Although Ti ions do not contribute to the charge transfer, they play a very important role in stabilizing the structure during charge and discharge by suppressing the Fe migration. Additionally, Ti substitution can also smooth the charge–discharge plateaus effectively, which provides a potential advantage for the commercialization of this material for room temperature sodium-ion batteries.

  3. Structural, morphological and magnetic study of (Bi{sub 0.1}Fe{sub 0.1}O{sub 3}) - (Ni{sub 0.1}Fe{sub 2(0.1)}O{sub 4}) nanocomposite

    SciTech Connect (OSTI)

    Kaur, Imanpreet Verma, N. K.

    2015-05-15

    Multiferroic nanocomposite of (Bi{sub 0.1}Fe{sub 0.1}O{sub 3}) - (Ni{sub 0.1}Fe{sub 2(0.1)}O{sub 4}) was prepared by sol gel technique and characterized by X-ray diffraction, transmission electron microscopy, superconducting quantum interference device. X-ray diffraction confirmed the formation of desired crystallographic phase of the composite. The average particle size found to be 13.97nm. The transmission electron microscopy depicts the presence of the polycrystalline nanoparticles. In order to investigate the magnetic behavior superconducting quantum interference device was used. The sample was analyzed by increasing the magnetic field up to 25kOe and magnetization was found to be 16.8emu/g, which is optimum for the technological applications. The magnetic properties in such composite result as determined both by the ferrite concentration and properties and by the degree of connectivity of the two phases. The appropriate combination of two phases gives rise to higher magnetization.

  4. O3-type layered transition metal oxide Na(NiCoFeTi)1/4O2 as a high rate and long cycle life cathode material for sodium ion batteries

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

    Yue, Ji -Li; Yang, Xiao -Qing; Zhou, Yong -Ning; Yu, Xiqian; Bak, Seong -Min; Fu, Zheng -Wen

    2015-10-09

    High rate capability and long cycle life are challenging goals for the development of room temperature sodium-ion batteries. Here we report a new single phase quaternary O3-type layer-structured transition metal oxide Na(NiCoFeTi)1/4O2 synthesized by a simple solid-state reaction as a new cathode material for sodium-ion batteries. It can deliver a reversible capacity of 90.6 mA h g–1 at a rate as high as 20C. At 5C, 75.0% of the initial specific capacity can be retained after 400 cycles with a capacity-decay rate of 0.07% per cycle, demonstrating a superior long-term cyclability at high current density. X-ray diffraction and absorption characterizationmore » revealed reversible phase transformations and electronic structural changes during the Na+ deintercalation/intercalation process. Ni, Co and Fe ions contribute to charge compensation during charge and discharge. Although Ti ions do not contribute to the charge transfer, they play a very important role in stabilizing the structure during charge and discharge by suppressing the Fe migration. Additionally, Ti substitution can also smooth the charge–discharge plateaus effectively, which provides a potential advantage for the commercialization of this material for room temperature sodium-ion batteries.« less

  5. Crystal structure of Tb5Ni2In4 and Y5Ni2In4, and magnetic properties of

    Office of Scientific and Technical Information (OSTI)

    Dy5Ni2In4 (Journal Article) | SciTech Connect Crystal structure of Tb5Ni2In4 and Y5Ni2In4, and magnetic properties of Dy5Ni2In4 Citation Details In-Document Search Title: Crystal structure of Tb5Ni2In4 and Y5Ni2In4, and magnetic properties of Dy5Ni2In4 The crystal structure of the R5Ni2In4 intermetallic compounds was earlier reported for R Ho, Er, Tm, and Lu (Lu5Ni2In4-type, oP22, Pbam); more recently the isostructural phases Dy5Ni2In4 and Sc5Ni2In4 have also been identified. Three

  6. Beamline 9.3.2

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

    2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  7. Beamline 9.3.2

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

    2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  8. Beamline 9.3.2

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

    2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  9. Beamline 9.3.2

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

    2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  10. Beamline 9.3.2

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

    2 Print Chemical and Materials Scientific disciplines: Surfaces, interfaces, catalysis, environmental science, material science, electrochemistry Endstations: Ambient pressure X-ray Photoelectron Spectroscopy (APXPS)* Ambient pressure photoemission GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Bend magnet Energy range 30-850 eV Monochromator SGM (gratings: 100, 600 lines/mm) Calculated flux (1.9 GeV, 400 mA) up to 1.5 x 1011 photons/sec, energy dependent Resolving power

  11. EIS-0476: Vogtle Electric Generating Plant, Units 3 and 4

    Broader source: Energy.gov [DOE]

    This EIS evaluates the environmental impacts of construction and startup of the proposed Units 3 and 4 at the Vogtle Electric Generating Plant in Burke County, Georgia. DOE adopted two Nuclear Regulatory Commission EISs associated with this project (i.e., NUREG-1872, issued 8/2008, and NUREG-1947, issued 3/2011).

  12. Process For The Preparation Of 3,4-Dihyd Roxybutanoic Acid And Salts Thereof

    DOE Patents [OSTI]

    Hollingsworth, Rawle I.

    1994-06-07

    A process for the preparation of 3,4-dihydroxybutanoic acid (1) and salts thereof from a glucose source containing 1,4-linked glucose as a substituent is described. The process uses an alkali metal hdyroxide and hydrogen peroxide to convert the glucose source to (1). The compound (1) is useful as a chemical intermediate to naturally occurring fatty acids and is used to prepare 3,4-dihydroxybutanoic acid-gamma-lactone (2) and furanone (3), particularly stereoisomers of these compounds.

  13. Process for the preparation of 3,4-dihydroxybutanoic acid and salts thereof

    DOE Patents [OSTI]

    Hollingsworth, Rawle I.

    1994-01-01

    A process for the preparation of 3,4-dihydroxybutanoic acid (1) and salts thereof from a glucose source containing 1,4-linked glucose as a substituent is described. The process uses an alkali metal hdyroxide and hydrogen peroxide to convert the glucose source to (1). The compound (1) is useful as a chemical intermediate to naturally occurring fatty acids and is used to prepare 3,4-dihydroxybutanoic acid-gamma-lactone (2) and furanone (3), particularly stereoisomers of these compounds.

  14. Dielectric properties of <001>-oriented Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} thin films on polycrystalline metal tapes using biaxially oriented MgO/{gamma}-Al{sub 2}O{sub 3} buffer layers

    SciTech Connect (OSTI)

    Choi, W.; Kang, B.S.; Jia, Q.X.; Matias, V.; Findikoglu, A.T.

    2006-02-06

    We report the growth of <001>-oriented Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} (BST) thin films on polycrystalline Ni-alloy tapes by pulsed laser deposition using biaxially oriented, ion-beam-assisted deposited (IBAD) MgO and {gamma}-Al{sub 2}O{sub 3} buffer layers. Dielectric constant values of our BST films were up to {approx}85% of those in the epitaxial films prepared under similar conditions on single-crystal MgO substrates. No significant dispersion of the dielectric constant was observed for frequencies from 100 Hz to 1 MHz. These results demonstrate the versatility of using IBAD-textured MgO and {gamma}-Al{sub 2}O{sub 3} buffer layers to integrate highly oriented good-quality BST films with nonsingle-crystalline substrates.

  15. October 2011 Energy Assurance Planning Bulletin Volume 2 No 4

    Energy Savers [EERE]

    3, 2011 THE AMERICAN RECOVERY AND REINVESTMENT ACT VOLUME 2, NUMBER 4 Need to Know Fourth DOE/OE Regional Tabletop Exercise Action Items DOE to Request Sharing of State EA Plans Exercise and Reporting Deadlines News from the States Revolving Loan Funded Hydro Projects Help to Power Nevada Energy Assurance Success Stories Midwest Regional Exercise Recap Other Useful Information and Links New PTI Resources DOE/OE Year-in-Review: 2010 Report Upcoming Events Winter Fuels Outlook NARUC Annual Meeting

  16. Biotransformation of 2,3,3,3-tetrafluoropropene (HFO-1234yf)

    SciTech Connect (OSTI)

    Schuster, Paul; Bertermann, Ruediger; Snow, Timothy A.; Han Xing; Rusch, George M.; Jepson, Gary W.; Dekant, Wolfgang

    2008-12-01

    2,3,3,3-Tetrafluoropropene (HFO-1234yf) is a non-ozone-depleting fluorocarbon replacement with a low global warming potential which has been developed as refrigerant. The biotransformation of HFO-1234yf was investigated after inhalation exposure. Male Sprague-Dawley rats were exposed to air containing 2000, 10,000, or 50,000 ppm HFO-1234yf for 6 h and male B6C3F1 mice were exposed to 50,000 ppm HFO-1234yf for 3.5 h in a dynamic exposure chamber (n = 5/concentration). After the end of the exposure, animals were individually housed in metabolic cages and urines were collected at 6 or 12-hour intervals for 48 h. For metabolite identification, urine samples were analyzed by {sup 1}H-coupled and decoupled {sup 19}F-NMR and by LC/MS-MS or GC/MS. Metabolites were identified by {sup 19}F-NMR chemical shifts, signal multiplicity, {sup 1}H-{sup 19}F coupling constants and by comparison with synthetic reference compounds. In all urine samples, the predominant metabolites were two diastereomers of N-acetyl-S-(3,3,3-trifluoro-2-hydroxy-propyl)-L-cysteine. In {sup 19}F-NMR, the signal intensity of these metabolites represented more than 85% (50,000 ppm) of total {sup 19}F related signals in the urine samples. Trifluoroacetic acid, 3,3,3-trifluorolactic acid, 3,3,3-trifluoro-1-hydroxyacetone, 3,3,3-trifluoroacetone and 3,3,3-trifluoro-1,2-dihydroxypropane were present as minor metabolites. Quantification of N-acetyl-S-(3,3,3-trifluoro-2-hydroxy-propyl)-L-cysteine by LC/MS-MS showed that most of this metabolite (90%) was excreted within 18 h after the end of exposure (t{sub 1/2} app. 6 h). In rats, the recovery of N-acetyl-S-(3,3,3-trifluoro-2-hydroxy-propyl)-L-cysteine excreted within 48 h in urine was determined as 0.30 {+-} 0.03, 0.63 {+-} 0.16, and 2.43 {+-} 0.86 {mu}mol at 2000, 10,000 and 50,000 ppm, respectively suggesting only a low extent (<< 1% of dose received) of biotransformation of HFO-1234yf. In mice, the recovery of this metabolite was 1.774 {+-} 0.4 {mu}mol. Metabolites identified after in vitro incubations of HFO-1234yf in liver microsomes from rat, rabbit, and human support the metabolic pathways of HFO-1234yf revealed in vivo. The obtained results suggest that HFO-1234yf is subjected to a typical biotransformation reaction for haloolefins, likely by a cytochrome P450 2E1-catalyzed formation of 2,3,3,3-tetrafluoroepoxypropane at low rates, followed by glutathione conjugation or hydrolytic ring opening.

  17. 2D?3D polycatenated and 3D?3D interpenetrated metalorganic frameworks constructed from thiophene-2,5-dicarboxylate and rigid bis(imidazole) ligands

    SciTech Connect (OSTI)

    Erer, Hakan; Ye?ilel, Okan Zafer; Ar?c?, Mrsel; Keskin, Seda; Bykgngr, Orhan

    2014-02-15

    Hydrothermal reactions of rigid 1,4-bis(imidazol-1-yl)benzene (dib) and 1,4-bis(imidazol-1-yl)-2,5-dimethylbenzene (dimb) with deprotonated thiophene-2,5-dicarboxylic acid (H{sub 2}tdc) in the presence of Zn(II) and Cd(II) salts in H{sub 2}O produced three new metalorganic frameworks, namely, [Zn(-tdc)(H{sub 2}O)(-dib)]{sub n} (1), [Cd(-tdc)(H{sub 2}O)(-dib)]{sub n} (2), and ([Cd{sub 2}({sub 3}-tdc){sub 2}(-dimb){sub 2}](H{sub 2}O)){sub n}(3). These MOFs were characterized by FT-IR spectroscopy, elemental, thermal (TG, DTA, DTG and DSC), and single-crystal X-ray diffraction analyses. Isomorphous complexes 1 and 2 reveal polycatenated 2D+2D?3D framework based on an undulated (4,4)-sql layer. Complex 3 exhibits a new 4-fold interpenetrating 3D framework with the point symbol of 6{sup 6}. Molecular simulations were used to assess the potentials of the complexes for H{sub 2} storage application. Moreover, these coordination polymers exhibit blue fluorescent emission bands in the solid state at room temperature. - Graphical abstract: In this study, hydrothermal reactions of rigid 1,4-bis(imidazol-1-yl)benzene (dib) and 1,4-bis(imidazol-1-yl)-2,5-dimethylbenzene (dimb) with deprotonated thiophene-2,5-dicarboxylic acid (H{sub 2}tdc) in the presence of Zn(II) and Cd(II) salts in H{sub 2}O produced three new metalorganic frameworks. Isomorphous complexes 1 and 2 reveal polycatenated 2D+2D?3D framework based on an undulated (4,4)-sql layer. Complex 3 exhibits a new 4-fold interpenetrating 3D framework with the point symbol of 6{sup 6}. Molecular simulations were used to assess the potentials of the complexes for H{sub 2} storage application. These coordination polymers exhibit blue fluorescent emission bands in the solid state at room temperature. Display Omitted - Highlights: Complexes 1 and 2 display polycatenated 2D+2D?3D framework. Complex 3 exhibits a new 4-fold interpenetrating 3D framework. Complex 1 adsorbs the highest amount of H{sub 2} at 100 bar and 298 K. Complexes display blue fluorescent emission bands.

  18. The addition of hydrogen atoms to diacetylene and the heats of formation of i-C4H3 and n-C4H3.

    SciTech Connect (OSTI)

    Klippenstein, Stephen J.; Miller, James A.

    2005-01-01

    In this article, we discuss in detail the addition of hydrogen atoms to diacetylene and the reverse dissociation reactions, H + C{sub 4}H{sub 2} {leftrightarrow} i-C{sub 4}H{sub 3} (R1) and H + C{sub 4}H{sub 2} n-C{sub 4}H{sub 3} (R2). The theory utilizes high-level electronic structure methodology to characterize the potential energy surface, Rice-Ramsperger-Kassel-Marcus (RRKM) theory to calculate microcanonical/J-resolved rate coefficients, and a two-dimensional master-equation approach to extract phenomenological (thermal) rate coefficients. Comparison is made with experimental results where they are available. The rate coefficients k{sub 1}(T, p) and k{sub 2}(T, p) are cast in forms that can be used in chemical kinetic modeling. In addition, we predict values of the heats of formation of i-C{sub 4}H{sub 3} and n-C{sub 4}H{sub 3} and discuss their importance in flame chemistry. Our basis-set extrapolated, quadratic-configuration-interaction with single and double excitations (and triple excitations added perturbatively), QCISD(T), predictions of these heats of formation at 298 K are 130.8 kcal/mol for n-C{sub 4}H{sub 3} and 119.3 kcal/mol for the i-isomer; multireference CI calculations with a nine-electron, nine-orbital, complete-active-space (CAS) reference wavefunction give just slightly larger values for these parameters. Our results are in good agreement with the recent focal-point analysis of Wheeler et al. (J. Chem. Phys. 2004, 121, 8800-8813), but they differ substantially for {Delta} H{sub f 298}{sup 0}(n-C{sub 4}H{sub 3}) with the earlier diffusion Monte Carlo predictions of Krokidis et al.

  19. Joining SI3N4 for Advanced Turbomachinery Applications

    SciTech Connect (OSTI)

    GLASS, S. JILL; LOEHMAN, RONALD E.; HOSKING, F. MICHAEL; STEPHENS JR., JOHN J.; VIANCO, PAUL T.; NEILSEN, MICHAEL K.; WALKER, CHARLES A.; POLLINGER, J.P.; MAHONEY, F.M.; QUILLEN, B.G.

    2000-07-01

    The main objective of this project was to develop reliable, low-cost techniques for joining silicon nitride (Si{sub 3}N{sub 4}) to itself and to metals. For Si{sub 3}N{sub 4} to be widely used in advanced turbomachinery applications, joining techniques must be developed that are reliable, cost-effective, and manufacturable. This project addressed those needs by developing and testing two Si{sub 3}N{sub 4} joining systems; oxynitride glass joining materials and high temperature braze alloys. Extensive measurements were also made of the mechanical properties and oxidation resistance of the braze materials. Finite element models were used to predict the magnitudes and positions of the stresses in the ceramic regions of ceramic-to-metal joints sleeve and butt joints, similar to the geometries used for stator assemblies.

  20. 4-27-07_Addendum.2.fm

    National Nuclear Security Administration (NNSA)

    the three calibrated models with respect to the expected values of HSU permeability. 3. Water-Balance Summary. An additional check on the CAU water balance is the comparison of...

  1. Posting Date: 3/15/2016 Posting Close Date: 4

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

    3/15/2016 Posting Close Date: 4 th QTR 2016 North American Industry Classification System (NAICS) code for the request: 236210 Estimated Subcontract/PO Value: TBD Estimated Period of Performance: TBD Estimated RFP/RFQ Release Date: 4 th QTR 2016 Estimated Award Date: TBD Competition Type: TBD Buyer Contact Email: shanej@lanl.gov Title: Transuranic (TRU) Liquid Waste (TLW) Project Description of Product or Service Required The Transuranic (TRU) Liquid Waste (TLW) Project is a congressionally

  2. A Highly Porous and Robust (3,3,4)-Connected Metal-Organic Framework...

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

    graphical abstract Abstract: A dicopper(II)-paddle-wheel-based metal-organic framework (PCN-80, see picture) with a rare (3,3,4)-connected topology has been synthesized by using a...

  3. Buildings Energy Data Book: 2.3 Residential Sector Expenditures

    Buildings Energy Data Book [EERE]

    5 2010 Residential Energy End-Use Expenditure Splits, by Fuel Type ($2010 Billion) (1) Natural Petroleum Gas Distil. LPG Kerosene Total Coal Electricity Total Percent Space Heating (2) 38.7 11.2 8.0 19.8 0.0 14.3 72.9 28.9% Space Cooling (3) 0.0 35.4 35.4 14.0% Water Heating (4) 14.3 2.1 2.0 4.0 14.2 32.6 12.9% Lighting 22.6 22.6 9.0% Refrigeration (5) 14.9 14.9 5.9% Electronics (6) 17.8 17.8 7.1% Cooking 2.4 0.8 0.8 6.0 9.2 3.7% Wet Cleaning (7) 0.6 10.7 11.3 4.5% Computers 5.6 5.6 2.2% Other

  4. Measurement of the 3s1/2-3p3/2 resonance line of sodiumlike Eu52+

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

    Trbert, E.; Beiersdorfer, P.; Hell, N.; Brown, G. V.

    2015-08-20

    We have measured the 3s1/2-3p3/2 transition in sodiumlike Eu52+ situated at 41.232 with an uncertainty of 73 ppm. Our measurement extends previous high-precision measurements into the 561/2-3p3/2 and 3p1/2-3d3/2 transitions in the neighboring magnesiumlike, aluminumlike, and siliconlike europium ions.

  5. Buildings Energy Data Book: 4.2 Federal Buildings and Facilities Characteristics

    Buildings Energy Data Book [EERE]

    2 Federal Buildings and Facilities Characteristics March 2012 4.2.1 Federal Building Gross Floorspace, by Year and Agency Fiscal Year Agency FY 1985 3.37 DOD 63% FY 1986 3.38 USPS 10% FY 1987 3.40 GSA 6% FY 1988 3.23 VA 5% FY 1989 3.30 DOE 3% FY 1990 3.40 Other 13% FY 1991 3.21 Total 100% FY 1992 3.20 FY 1993 3.20 FY 1994 3.11 FY 1995 3.04 FY 1996 3.03 FY 1997 3.02 FY 1998 3.07 FY 1999 3.07 FY 2000 3.06 FY 2001 3.07 FY 2002 3.03 FY 2003 3.04 FY 2004 2.97 FY 2005 2.96 FY 2006 3.10 FY 2007 3.01

  6. Microsoft Word - MP 5 2 Final Rev 3

    Office of Environmental Management (EM)

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

  7. Tax Deduction Qualified Software: TRACE Version 6.3.2

    Broader source: Energy.gov [DOE]

    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.

  8. Beam-Target Double-Spin Asymmetry ALT in Charged Pion Production from Deep Inelastic Scattering on a Transversely Polarized He3 Target at 1.4Q22.7 GeV2

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

    Huang, J.; Allada, K.; Dutta, C.; Katich, J.; Qian, X.; Wang, Y.; Zhang, Y.; Aniol, K.; Annand, J. R. M.; Averett, T.; et al

    2012-01-01

    We report the first measurement of the double-spin asymmetry ALT for charged pion electroproduction in semi-inclusive deep inelastic electron scattering on a transversely polarized 3He target. The kinematics focused on the valence quark region, 0.16 2 2. The corresponding neutron ALT asymmetries were extracted from the measured 3He asymmetries and proton/3He cross section ratios using the effective polarization approximation. These new data probe the transverse momentum dependent parton distribution function g1Tq and therefore provide access to quark spin-orbit correlations. Our results indicate a positive azimuthal asymmetry for ?- production on 3Hemoreand the neutron, while our ?+ asymmetries are consistent with zero.less

  9. Transport and magnetization current in a thin layer of Bi{sub 1.8}Pb{sub 0.4}Sr{sub 2.0}Ca{sub 2.2}Cu{sub 3.0}O{sub y} adjacent to silver sheathing in BSCCO-2223 tapes

    SciTech Connect (OSTI)

    Lelovic, M.; Krishnaraj, P.; Deis, T.

    1995-07-01

    The thin superconducting region next to the silver sheath appears to be the region of high critical current density in BSCCO-2223 tapes. Transport current measurements on Bi{sub 1.8}Pb{sub 0.4}Sr{sub 2.0}Ca{sub 2.2}Cu{sub 3.0}O{sub y} tape at 77 K in a low magnetic field applied parallel to the tape thickness indicate an exponential field dependence [J / J{sub c} {proportional_to} exp (- B / B{sub 0})] for transport currents. Magnetic hysteresis was measured in a 10-{mu}m-thick layer of superconductor near the silver sheath as a function of temperature, intensity, and orientation of applied field with respect to the tape. The characteristic field for full penetration depth, B*, for a superconducting slab was found to have a power law dependence on temperature. Magnetization currents as a function of temperature and applied field oriented parallel to the tape thickness, J{sub c,m}(B,T), were determined from the magnetization loop width with a Bean- model expression adapted for an orthorhombic sample. The critical-state model, adjusted for scaling and magnetic relaxation, correlates well with the magnetization current of the thin layer at 77 K.

  10. 4

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

    (a) OECD ................................................. 26.64 26.43 26.81 27.07 26.77 25.86 25.72 25.93 25.96 25.99 25.83 26.15 26.74 26.07 25.98 U.S. (50 States) ............................... 14.81 15.10 15.13 15.12 14.87 14.62 14.18 14.20 14.19 14.37 14.33 14.55 15.04 14.47 14.36 Canada ............................................ 4.69 4.16 4.56 4.62 4.63 4.12 4.66 4.81 4.88 4.85 4.88 4.91 4.51 4.56 4.88 Mexico ............................................. 2.68 2.58 2.62 2.62 2.57 2.53

  11. Buildings Energy Data Book: 3.2 Commercial Sector Characteristics

    Buildings Energy Data Book [EERE]

    4 Share of Commercial Floorspace, by Census Region and Vintage, as of 2003 (Percent) Region Prior to 1960 1960 to 1989 1990 to 2003 Total Northeast 9% 8% 3% 20% Midwest 8% 11% 6% 25% South 5% 18% 14% 37% West 3% 9% 5% 18% 100% Source(s): EIA, 2003 Commercial Buildings Energy Consumption Survey: Building Characteristics Tables, Oct. 2006, Table A2, p. 3-4

  12. CESP Tool 4.2: SWOT Worksheet | Department of Energy

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

    SWOT Worksheet CESP Tool 4.2: SWOT Worksheet CESP Tool 4.2: SWOT Worksheet from Step 4: Assess the Current Energy Profile, Guide to Community Energy Strategic Planning. File CESP Tool 4.2: SWOT Worksheet More Documents & Publications CESP Tool 5.1: Goals, Strategies, and Actions Planning Worksheet Guide to Community Energy Strategic Planning Guide to Community Energy Strategic Planning: Step 4

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

    SciTech Connect (OSTI)

    Deb, Narayan C.; Hibbert, Alan

    2010-07-15

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

  14. Magnetocaloric effect in as-cast Gd{sub 1−x}Y{sub x} alloys with x = 0.0, 0.1, 0.2, 0.3, 0.4

    SciTech Connect (OSTI)

    Lara Pérez, E. S.; Hernández Paz, J. F.; Elizalde Galindo, J. T.; Betancourt, I.; Matutes Aquino, J. A.

    2014-05-07

    In this report, we present the magnetocaloric effect of Gd{sub 1−x}Y{sub x} alloys (0.0 ≤ × ≤ 0.4) prepared by arc-melting from high purity Gd and Y precursors in inert atmosphere. The formation of Gd{sub 1−x}Y{sub x} solid solutions was verified by means of X-ray diffraction analysis across the compositional series; also, residual secondary phases Gd and Y were present. Magnetic characterization performed by Vibrating Sample Magnetometry at a maximum applied field of 3.0 T showed a drastic reduction of the magnetization saturation (from 233 emu/g for x = 0.0 to 183 emu/g for x = 0.4), due to a dilution effect of the Y alloying, together with a marked Curie temperature decrease from 296 K to 196 K between x = 0.0 and x = 0.4. The second-order character of the magnetic transition was established by Arrot plots for all the cases. On the other hand, the magnetic entropy variation, determined from numerical integration of Maxwell relation displayed excellent values above 5.30 J/kg K for alloys with x < 0.3 due to the steep transition of the thermomagnetic curves.

  15. Sonochemical synthesis of highly luminescent Ln2O3:Eu3+ (Y, La, Gd) nanocrystals

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

    Alammar, Tarek; Cybinska, Joanna; Campbell, Paul S.; Mudring, Anja -Verena

    2015-05-12

    In this study, sonication of Ln(CH3COO)3·H2O, Eu(CH3COO)3·H2O and NaOH dissolved in the ionic liquid-butyl-3-methylimidazolium bis(trifluoromethane)sulfonylamide lead to Ln(OH)3:Eu (Ln: Gd, La, Y) nanoparticles. Subsequent calcination at 800 °C for 3 h allowed to obtain Ln2O3:Eu nanopowders. Gd2O3 and Y2O3 were obtained in the C-type lanthanide sequioxide structure, whereas La2O3 crystallized in the A-type. Structure, morphology, and luminescent properties of the nano-oxides were investigated by powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), dispersive X-ray (EDX), and photoluminescence (PL). SEM studies revealed that the synthesized Gd2O3:Eu, La2O3:Eu, and Y2O3:Eu formed nano-spindle, -sheets, and -rods in shape, respectively. The nanoscale materials showmore »very efficient red emission due to the intraconfigurational f–f transitions of Eu3+. The quantum yields for Ln2O3:Eu (5%) were determined to be 4.2% for Ln=Gd, 13.8% for Ln=Y and 5.2% for Ln=La. The asymmetric ratio I02/I01 of Eu3+ varies from 5.3 for Gd2O3, to 5.6 for Y2O3 to 6.5 for La2O3, which increased the color chromaticity.« less

  16. Sonochemical synthesis of highly luminescent Ln2O3:Eu3+ (Y, La, Gd) nanocrystals

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

    Alammar, Tarek; Cybinska, Joanna; Campbell, Paul S.; Mudring, Anja -Verena

    2015-05-12

    In this study, sonication of Ln(CH3COO)3·H2O, Eu(CH3COO)3·H2O and NaOH dissolved in the ionic liquid-butyl-3-methylimidazolium bis(trifluoromethane)sulfonylamide lead to Ln(OH)3:Eu (Ln: Gd, La, Y) nanoparticles. Subsequent calcination at 800 °C for 3 h allowed to obtain Ln2O3:Eu nanopowders. Gd2O3 and Y2O3 were obtained in the C-type lanthanide sequioxide structure, whereas La2O3 crystallized in the A-type. Structure, morphology, and luminescent properties of the nano-oxides were investigated by powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), dispersive X-ray (EDX), and photoluminescence (PL). SEM studies revealed that the synthesized Gd2O3:Eu, La2O3:Eu, and Y2O3:Eu formed nano-spindle, -sheets, and -rods in shape, respectively. The nanoscale materials showmore » very efficient red emission due to the intraconfigurational f–f transitions of Eu3+. The quantum yields for Ln2O3:Eu (5%) were determined to be 4.2% for Ln=Gd, 13.8% for Ln=Y and 5.2% for Ln=La. The asymmetric ratio I02/I01 of Eu3+ varies from 5.3 for Gd2O3, to 5.6 for Y2O3 to 6.5 for La2O3, which increased the color chromaticity.« less

  17. Resource characterization and residuals remediation, Task 1.0: Air quality assessment and control, Task 2.0: Advanced power systems, Task 3.0: Advanced fuel forms and coproducts, Task 4.0

    SciTech Connect (OSTI)

    Hawthorne, S.B.; Timpe, R.C.; Hartman, J.H.

    1994-02-01

    This report addresses three subtasks related to the Resource Characterization and Residuals Remediation program: (1) sulfur forms in coal and their thermal transformations, (2) data resource evaluation and integration using GIS (Geographic Information Systems), and (3) supplementary research related to the Rocky Mountain 1 (RM1) UCG (Underground Coal Gasification) test program.

  18. Study of the effect of the acid-base surface properties of ZnO, Fe{sub 2}O{sub 3} and ZnFe{sub 2}O{sub 4} oxides on their gas sensitivity to ethanol vapor

    SciTech Connect (OSTI)

    Karpova, S. S. Moshnikov, V. A.; Maksimov, A. I.; Mjakin, S. V.; Kazantseva, N. E.

    2013-08-15

    Binary (ZnO, Fe{sub 2}O{sub 3}) and ternary (ZnFe{sub 2}O{sub 4}) gas-sensitive oxide materials are synthesized, and the correlation between their sensitivity to ethanol vapor and the functional chemical composition of the surface is studied by X-ray photoelectron spectroscopy and by the technique of the adsorption of acid-base indicators. It is found that the sensitivity to ethanol increases with increasing content of Broensted acid sites with the acidity index pK{sub a} Almost-Equal-To 2.5 and with increasing percentage of surface oxygen involved in OH/CO{sub 3}/C-O groups. This interrelation is attributed to the specific features of interaction between ethanol molecules and hydroxyl groups on the surface of the oxides.

  19. AcqGuide4pt2.doc

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

    2 (August 2004) Requirements for Contracting with Public Relations Firms Overview This section discusses the Department of Energy's procedures when obtaining contractual services from public relations firms. Background The Office of Public Affairs is responsible for collecting and disseminating information about the Department's programs, missions, and activities. The Office of Public Affairs establishes guidelines for the review and coordination of activities for that mission. These activities

  20. 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.