National Library of Energy BETA

Sample records for analysis type cu

  1. Bi-Se doped with Cu, p-type semiconductor

    DOE Patents [OSTI]

    Bhattacharya, Raghu Nath; Phok, Sovannary; Parilla, Philip Anthony

    2013-08-20

    A Bi--Se doped with Cu, p-type semiconductor, preferably used as an absorber material in a photovoltaic device. Preferably the semiconductor has at least 20 molar percent Cu. In a preferred embodiment, the semiconductor comprises at least 28 molar percent of Cu. In one embodiment, the semiconductor comprises a molar percentage of Cu and Bi whereby the molar percentage of Cu divided by the molar percentage of Bi is greater than 1.2. In a preferred embodiment, the semiconductor is manufactured as a thin film having a thickness less than 600 nm.

  2. Category:NEPA Environmental Analysis Types | Open Energy Information

    Open Energy Info (EERE)

    Analysis Types" The following 5 pages are in this category, out of 5 total. C CU CX D DNA E EA EIS Retrieved from "http:en.openei.orgwindex.php?titleCategory:NEPAEnvironme...

  3. Analysis of the structure, configuration, and sizing of Cu and Cu oxide nanoparticles generated by fs laser ablation of solid target in liquids

    SciTech Connect (OSTI)

    Santillan, J. M. J.; Videla, F. A.; Schinca, D. C.; Scaffardi, L. B.; Fernandez van Raap, M. B.

    2013-04-07

    We report on the analysis of structure, configuration, and sizing of Cu and Cu oxide nanoparticles (Nps) produced by femtosecond (fs) laser ablation of solid copper target in liquids. Laser pulse energy ranged between 500 {mu}J and 50 {mu}J. Water and acetone were used to produce the colloidal suspensions. The study was performed through optical extinction spectroscopy using Mie theory to fit the full experimental spectra, considering free and bound electrons size dependent contributions to the metal dielectric function. Raman spectroscopy and AFM technique were also used to characterize the sample. Considering the possible oxidation of copper during the fabrication process, two species (Cu and Cu{sub 2}O) arranged in two structures (bare core or core-shell) and in two configuration types (Cu-Cu{sub 2}O or Cu{sub 2}O-Cu) were considered for the fitting depending on the laser pulse energy and the surrounding media. For water at high energy, it can be observed that a Cu-Cu{sub 2}O configuration fits the experimental spectra of the colloidal suspension, while for decreasing energy and below a certain threshold, a Cu{sub 2}O-Cu configuration needs to be included for the optimum fit. Both species coexist for energies below 170 {mu}J for water. On the other hand, for acetone at high energy, optimum fit of the full spectrum suggests the presence a bimodal Cu-Cu{sub 2}O core-shell Nps distribution while for decreasing energy and below a 70 {mu}J threshold energy value, Cu{sub 2}O-Cu core-shell Nps must be included, together with the former configuration, for the fit of the full spectrum. We discuss possible reasons for the changes in the structural configuration of the core-shell Nps.

  4. Function Specific Analysis of the Thermal Durability of Cu-Zeolite...

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

    Function Specific Analysis of the Thermal Durability of Cu-Zeolite SCR Catalyst Function Specific Analysis of the Thermal Durability of Cu-Zeolite SCR Catalyst Presentation given ...

  5. Ab-initio study of donor-acceptor codoping for n-type CuO

    SciTech Connect (OSTI)

    Peng, Yuan; Wang, Junling, E-mail: jlwang@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Zheng, Jianwei [Institute of High Performance Computing, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632 (Singapore); Wu, Ping [Engineering Product Development, Singapore University of Technology and Design, 20 Dover Drive, Singapore 138682 (Singapore)

    2014-10-28

    Single n-type dopant in CuO has either a deep donor level or limited solubility, inefficient in generating free electrons. We have performed ab-initio study of the donor-acceptor codoping to obtain n-type CuO. Our results show that N codoping can slightly improve the donor level of Zr and In by forming shallower n-type complexes (Zr{sub Cu}-N{sub O} and 2In{sub Cu}-N{sub O}), but their formation energies are too high to be realized in experiments. However, Li codoping with Al and Ga is found to be relatively easy to achieve. 2Al{sub Cu}-Li{sub Cu} and 2Ga{sub Cu}-Li{sub Cu} have shallower donor levels than single Al and Ga by 0.14?eV and 0.08?eV, respectively, and their formation energies are reasonably low to act as efficient codopants. Moreover, Li codoping with both Al and Ga produce an empty impurity band just below the host conduction band minimum, which may reduce the donor ionization energy at high codoping concentrations.

  6. Optical and electronic properties of delafossite CuBO{sub 2}p-type transparent conducting oxide

    SciTech Connect (OSTI)

    Ruttanapun, Chesta E-mail: krchesta@kmitl.ac.th

    2013-09-21

    CuBO{sub 2} delafossite was prepared by solid state reaction and calcined/sintered at 1005?C. The optical properties of this p-type transparent conducting oxide were investigated. Its crystal structure, morphology, composition, oxygen decomposition, and optical and electronic properties were characterized by X-ray diffraction, scanning electron microscopy, X-ray photoelectron spectroscopy, thermal gravimetric analysis (TGA), ultraviolet-visible-near-infrared (UV-VIS-NIR) and fluorescence spectroscopies, Seebeck coefficient, and electrical conductivity measurements. CuBO{sub 2} delafossite possesses a hexagonal space group R3{sup }m. TGA indicated a weight loss of 10%, which was attributed to excess oxygen. The positive Seebeck coefficient confirmed p-type behavior. Emission at 355?nm indicated a direct band type transition, and the UV-VIS-NIR spectrum indicated an optical direct gap of 3.6?eV. Activation energies for carrier production and electrical conduction were 0.147 and 0.58?eV, respectively, indicating the thermal activation of carriers. CuBO{sub 2} delafossite is a p-type transparent conducting oxide with a wide band gap and may have potential in industrial p-type electrodes.

  7. Impedance analysis of MnCoCuO NTC ceramic

    SciTech Connect (OSTI)

    Song, S.G. . E-mail: song-ph0@wpmail.paisley.ac.uk; Ling, Z.; Placido, F.

    2005-07-12

    Impedance spectroscopy is often used to analyse the electrical properties of ceramic materials having high-resistive grain boundaries, such as ZnO and SrTiO{sub 3}. Fewer attempts have been made at using this technique for the analysis of inhomogeneous electronic ceramics consisting of grains with differing composition, such as those occurring in negative temperature coefficient (NTC) thermistors. In this study, we have attempted to adopt ac impedance spectroscopy together with other techniques to analyse an NTC thermistor ceramic material. An Mn, Co and Cu multielements transition metal oxide (MnCoCuO) ceramic was prepared by using homogeneous precipitation employing oxalic acid. This material displayed a typical NTC effect, showing an electrical resistance decrease with temperature when dc electrical measurement was performed. The ac impedance spectroscopy analysis showed that there were two peaks in impedance and conductance versus frequency plot. By using an alternative representation of impedance spectra Z'/f versus Z', three distinct relaxation frequency ranges were identified. They are believed to originate, respectively, from the electrode, phase 1 (rich-Cu phase) and phase 2 (poor-Cu phase) grains existing in this ceramic. SEM observation and EDX analysis clearly showed existence of two distinct phase grains. The resistance values were derived from phases 1 and 2 grains based on ac impedance data. The sum of the resistance values was in good agreement with that from dc measurement in the temperature range of 30-95 deg. C. The material constant, B, for the two phases was also calculated, giving 3100 and 3600 K for phases 1 and 2, respectively.

  8. Cu

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

    Cu rre n t Ge n e ratio n Lo w En e rg y Cro s s Se c tio n Me as u re m e n ts : Sc iBar an d Min iBo o NE MiniBooNE Beam ➢ 8 GeV protons on Be target ➢ <E ν > = 0.7 GeV ➢ Change horn polarity for ν, ν modes Detector ➢ 12 m diameter, 800 ton mineral oil (CH 2 ) tank ➢ 1280 inner PMTs, 240 veto PMTs ➢ Events produce prompt Cherenkov light and delayed, isotropic scintillation light ➢ A " subevent" is cluster of tank activity in time ν µ µ - e - e + π + µ + K2

  9. Wide band gap p-type nanocrystalline CuBO{sub 2} as a novel UV photocatalyst

    SciTech Connect (OSTI)

    Santra, S.; Das, N.S.; Chattopadhyay, K.K.

    2013-07-15

    Graphical abstract: - Highlights: CuBO{sub 2} nanocrystals were synthesized by solgel route. The products have been characterized to confirm the formation of CuBO{sub 2}. Photocatalytic activity of this material is reported for the first time. - Abstract: Wide band gap copper based delafossite CuBO{sub 2} nanocrystalline powders of different particle sizes were synthesized via solgel route. Structural characterization was performed using X-ray diffraction (XRD) and transmission electron microscopy (TEM) which confirmed good crystallinity and proper phase formation of the samples. Compositional analysis was carried out by energy dispersive X-ray studies (EDX), whereas field emission scanning electron microscopy revealed morphological information of the samples. The photocatalytic performance of this delafossite material was studied for the first time with a standard photocatalytic set-up and the photocatalytic efficiency was found to increase with decreasing particle size. The LangmuirHinshelwood photocatalytic rate constants increased considerably for the samples synthesized at different pH from 2.75 to 0.5; which eventually varied particle size. The efficient photocatalytic performance, found for the first time here, will make this novel p-type wide band gap semiconductor a truly multifunctional material.

  10. Property:EnvironmentalAnalysisType | Open Energy Information

    Open Energy Info (EERE)

    NEPA requirements (eg Categorical Exclusion, Environmental Assessment) Allows Values CU;DNA;CX;EA;EIS This is a property of type Page. Pages using the property...

  11. Thin-film transistors based on p-type Cu{sub 2}O thin films produced at room temperature

    SciTech Connect (OSTI)

    Fortunato, Elvira; Figueiredo, Vitor; Barquinha, Pedro; Elamurugu, Elangovan; Goncalves, Goncalo; Martins, Rodrigo; Park, Sang-Hee Ko; Hwang, Chi-Sun

    2010-05-10

    Copper oxide (Cu{sub 2}O) thin films were used to produce bottom gate p-type transparent thin-film transistors (TFTs). Cu{sub 2}O was deposited by reactive rf magnetron sputtering at room temperature and the films exhibit a polycrystalline structure with a strongest orientation along (111) plane. The TFTs exhibit improved electrical performance such as a field-effect mobility of 3.9 cm{sup 2}/V s and an on/off ratio of 2x10{sup 2}.

  12. Oxygen chemisorption on Cu(19 19 1) studied by spot profile analysis low-energy electron diffraction

    SciTech Connect (OSTI)

    Brandstetter, T.; Draxler, M.; Hohage, M.; Zeppenfeld, P.

    2007-12-15

    Cu(110) and the vicinal Cu(19 19 1) surfaces were characterized by recording maps of the reciprocal space by means of spot profile analysis low-energy electron diffraction (SPA-LEED). For both surfaces, kinematic simulations were performed to get insight into the main features of the experimental data. Furthermore, it is shown that chemisorption of oxygen and subsequent annealing lead to the formation of a Cu-CuO stripe phase and induce faceting of the Cu(19 19 1) surface. The evolution from the clean Cu(19 19 1) surface to the coexistence of the (110) and (111) facets with increasing oxygen exposure was characterized by SPA-LEED.

  13. Optical and quantum efficiency analysis of (Ag,Cu)(In,Ga)Se2 absorber layers

    SciTech Connect (OSTI)

    Boyle, Jonathan; Hanket, Gregory; Shafarman, William

    2009-06-09

    (Ag,Cu)(In,Ga)Se2 thin films have been deposited by elemental co-evaporation over a wide range of compositions and their optical properties characterized by transmission and reflection measurements and by relative shift analysis of quantum efficiency device measurements. The optical bandgaps were determined by performing linear fits of (?h?)2 vs. h?, and the quantum efficiency bandgaps were determined by relative shift analysis of device curves with fixed Ga/(In+Ga) composition, but varying Ag/(Cu+Ag) composition. The determined experimental optical bandgap ranges of the Ga/(In+Ga) = 0.31, 0.52, and 0.82 groups, with Ag/(Cu+Ag) ranging from 0 to 1, were 1.19-1.45 eV, 1.32-1.56 eV, and 1.52-1.76 eV, respectively. The optical bowing parameter of the different Ga/(In+Ga) groups was also determined.

  14. Onboard Type IV Compressed Hydrogen Storage System Cost Analysis...

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

    Onboard Type IV Compressed Hydrogen Storage System Cost Analysis Webinar Onboard Type IV Compressed Hydrogen Storage System Cost Analysis Webinar Access the recording and download ...

  15. Thermal Analysis of Ball Type Fuel Element for PBR. (Technical...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Thermal Analysis of Ball Type Fuel Element for PBR. Citation Details In-Document Search Title: Thermal Analysis of Ball Type Fuel Element for PBR. Authors: ...

  16. Band offsets of n-type electron-selective contacts on cuprous oxide (Cu{sub 2}O) for photovoltaics

    SciTech Connect (OSTI)

    Brandt, Riley E. E-mail: buonassisi@mit.edu; Lee, Yun Seog; Buonassisi, Tonio E-mail: buonassisi@mit.edu; Young, Matthew; Dameron, Arrelaine; Teeter, Glenn; Park, Helen Hejin; Chua, Danny; Gordon, Roy G.

    2014-12-29

    The development of cuprous oxide (Cu{sub 2}O) photovoltaics (PVs) is limited by low device open-circuit voltages. A strong contributing factor to this underperformance is the conduction-band offset between Cu{sub 2}O and its n-type heterojunction partner or electron-selective contact. In the present work, a broad range of possible n-type materials is surveyed, including ZnO, ZnS, Zn(O,S), (Mg,Zn)O, TiO{sub 2}, CdS, and Ga{sub 2}O{sub 3}. Band offsets are determined through X-ray photoelectron spectroscopy and optical bandgap measurements. A majority of these materials is identified as having a negative conduction-band offset with respect to Cu{sub 2}O; the detrimental impact of this on open-circuit voltage (V{sub OC}) is evaluated through 1-D device simulation. These results suggest that doping density of the n-type material is important as well, and that a poorly optimized heterojunction can easily mask changes in bulk minority carrier lifetime. Promising heterojunction candidates identified here include Zn(O,S) with [S]/[Zn] ratios >70%, and Ga{sub 2}O{sub 3}, which both demonstrate slightly positive conduction-band offsets and high V{sub OC} potential. This experimental protocol and modeling may be generalized to evaluate the efficiency potential of candidate heterojunction partners for other PV absorbers, and the materials identified herein may be promising for other absorbers with low electron affinities.

  17. Highly efficient photocatalysis of p-type Cu{sub 2}ZnSnS{sub 4} under visible-light illumination

    SciTech Connect (OSTI)

    Hou, Xian; Li, Yan Yan, Jian-Jun; Wang, Cheng-Wei

    2014-12-15

    Highlights: Kesterite CZTS nanocrystal powder was synthesized by one-pot method. First successful use CZTS nanocrystal powder as photocatalyst. CZTS shows an efficient photocatalysis under visible light irradiation. CZTS photocatalyst having excellent stability. - Abstract: Cu{sub 2}ZnSnS{sub 4}, as a very promising p-type semiconductor material, has been extensively used in the study of solar cells owing to its suitable band gap (1.11.5 eV), large absorption coefficient of 10{sup 4} cm{sup ?1} in the visible spectrum, good photo stability, nontoxicity and relative abundance of the component elements. In this paper, we have successfully synthesized p-type kesterite Cu{sub 2}ZnSnS{sub 4} nanocrystal powder by facile one-pot method, and made our first successful attempt to use Cu{sub 2}ZnSnS{sub 4} nanocrystal powder as a photocatalyst to degradation methyl orange under visible-light irradiation. The exciting results show that in the visible light region, Cu{sub 2}ZnSnS{sub 4} nanocrystal powder possesses an excellent photocatalytic performance of K = 0.0317 min{sup ?1}, nearly about 6 times of well known commercial P25 titania powder performance under the same conditions, which suggests that the p-type kesterite Cu{sub 2}ZnSnS{sub 4} nanocrystal would be a promising candidate of photocatalyst.

  18. The n-type conduction of indium-doped Cu{sub 2}O thin films fabricated by direct current magnetron co-sputtering

    SciTech Connect (OSTI)

    Cai, Xing-Min; Su, Xiao-Qiang; Ye, Fan Wang, Huan; Tian, Xiao-Qing; Zhang, Dong-Ping; Fan, Ping; Luo, Jing-Ting; Zheng, Zhuang-Hao; Liang, Guang-Xing; Roy, V. A. L.

    2015-08-24

    Indium-doped Cu{sub 2}O thin films were fabricated on K9 glass substrates by direct current magnetron co-sputtering in an atmosphere of Ar and O{sub 2}. Metallic copper and indium disks were used as the targets. X-ray diffraction showed that the diffraction peaks could only be indexed to simple cubic Cu{sub 2}O, with no other phases detected. Indium atoms exist as In{sup 3+} in Cu{sub 2}O. Ultraviolet-visible spectroscopy showed that the transmittance of the samples was relatively high and that indium doping increased the optical band gaps. The Hall effect measurement showed that the samples were n-type semiconductors at room temperature. The Seebeck effect test showed that the films were n-type semiconductors near or over room temperature (<400 K), changing to p-type at relatively high temperatures. The conduction by the samples in the temperature range of the n-type was due to thermal band conduction and the donor energy level was estimated to be 620.2–713.8 meV below the conduction band. The theoretical calculation showed that indium doping can raise the Fermi energy level of Cu{sub 2}O and, therefore, lead to n-type conduction.

  19. Property:NEPA CU Document | Open Energy Information

    Open Energy Info (EERE)

    CU Document Jump to: navigation, search Property Name NEPA CU Document Property Type Page Description CU files for NEPA Docs. Typically Casual Use Documentation consists of a...

  20. Onboard Type IV Compressed Hydrogen Storage System Cost Analysis Webinar |

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

    Department of Energy Onboard Type IV Compressed Hydrogen Storage System Cost Analysis Webinar Onboard Type IV Compressed Hydrogen Storage System Cost Analysis Webinar Access the recording and download the presentation slides from the Fuel Cell Technologies Office webinar "Update to the 700 bar Compressed Hydrogen Storage System Cost Projection" held on February 25, 2016. Onboard Type IV Compressed Hydrogen Storage System Cost Analysis Webinar Slides (2.59 MB) More Documents &

  1. Onboard Type IV Compressed Hydrogen Storage System Cost Analysis Webinar

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

    Onboard Type IV Compressed Hydrogen Storage System Cost Analysis U.S. Department of Energy Fuel Cell Technologies Office February 25, 2016 Presenter: Brian James - Strategic Analysis, Inc. DOE Host: Grace Ordaz- Technology Manager, Hydrogen Storage Program 2 | Fuel Cell Technologies Office eere.energy.gov Question and Answer * Please type your questions into the question box 2 Onboard Type IV Compressed Hydrogen Storage System Cost Analysis Funded by the U.S. Department of Energy's Fuel Cell

  2. Onboard Type IV Compressed Hydrogen Storage System Cost Analysis...

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

    Onboard Type IV Compressed Hydrogen Storage System Cost Analysis U.S. Department of Energy Fuel Cell Technologies Office February 25, 2016 Presenter: Brian James - Strategic ...

  3. Low resistivity p-type Zn{sub 1−x}Al{sub x}O:Cu{sub 2}O composite transparent conducting oxide thin film fabricated by sol–gel method

    SciTech Connect (OSTI)

    Hui, K.N.; Hui, K.S.; Li, Lei; Cho, Y.R.; Singh, Jai

    2013-01-15

    Graphical abstract: Display Omitted Highlights: ► Cu{sub 2}O doped p-type AZO films was first prepared by sol–gel method. ► AZO:Cu{sub 2}O films showed a polycrystalline Cu{sub 2}O (1 1 0) and Cu (2 0 0) phases. ► p-Type conductivity was achieved by annealing in N{sub 2}/H{sub 2} forming gas at 400 °C. ► p–n junction (ITO/AZO:Cu{sub 2}O) revealed rectifying I–V characteristics. ► The mean optical transmittance of AZO:Cu{sub 2}Ofilms was >90%. -- Abstract: Highly transparent Cu{sub 2}O-doped p-type Zn{sub 1−x}Al{sub x}O (AZO; Al/Zn = 1.5 at%) conducting oxide films were synthesized on glass substrates using a cost effective low temperature sol–gel method. X-ray diffraction of the Cu{sub 2}O-doped AZO (AZO:Cu{sub 2}O) films revealed a polycrystalline Cu{sub 2}O (1 1 0) peak. The I–V measurements of the p–n junction (ITO/AZO:Cu{sub 2}O) revealed rectifying I–V characteristics, showing that these AZO:Cu{sub 2}O films exhibit p-type conductivity. p-Type conductivity was achieved by annealing the AZO:Cu{sub 2}O films in N{sub 2}/H{sub 2} forming gas at 400 °C. The hole concentration, hole mobility and resistivity of the 0.5–2 mol% AZO:Cu{sub 2}O films were 5.41 × 10{sup 18} to 1.99 × 10{sup 20} cm{sup −3}, 8.36–21.6 cm{sup 2}/V s and 1.66 × 10{sup −2} to 6.94 × 10{sup −3} Ω cm, respectively. These results show that post-annealing in a forming gas is effective and practicable in producing p-type AZO.

  4. Contribution of ion beam analysis to study the mechanisms of YBaCuO thin films growth and of their oxidation kinetics

    SciTech Connect (OSTI)

    Siejka, J.; Garcia-Lopez, J.

    1996-12-31

    At first a short review of ion beam analysis (IBA) techniques such as Rutherford Backscattering Analysis, Nuclear Reaction Analysis and of their contribution to the determination of composition and structure of YBaCuO thin films is presented. In the second part, IBA contribution to the measurements of oxygen content and mobility in YBaCuO and to elucidate the mechanisms of high temperature in situ growth of thin films are discussed. The emphasis is on the complementarity of IBA, Raman spectroscopy, TEM and XRD techniques to characterize the YBaCuO thin films in correlation with their physical properties. The results show that fully oxygenated YBaCuO thin films are formed in situ during high temperature T {le} 750 C, reactive sputtering. Their room temperature oxygen content and order is determined by oxygen loss and or uptake during the sample cooling conditions. The physical implications of these findings are analyzed.

  5. Effect of reinforcing particle type on morphology and age-hardening behavior of Al–4.5 wt.% Cu based nanocomposites synthesized through mechanical milling

    SciTech Connect (OSTI)

    Mostaed, A.; Saghafian, H.; Mostaed, E.; Shokuhfar, A.; Rezaie, H.R.

    2013-02-15

    The effects of reinforcing particle type (SiC and TiC) on morphology and precipitation hardening behavior of Al–4.5%Cu based nanocomposites synthesized via mechanical milling were investigated in the current work. In order to study the microstructure and morphology of mechanically milled powder, X-ray diffraction technique, scanning electron microscopy and high resolution transmission electron microscopy were utilized. Results revealed that at the early stages of mechanical milling, when reinforcing particles are polycrystal, the alloying process is enhanced more in the case of using the TiC particles as reinforcement. But, at the final stages of mechanical milling, when reinforcing particles are single crystal, the alloying process is enhanced more in the case of using the SiC ones. Transmission electron microscopy results demonstrated that Al–4.5 wt.%Cu based nanocomposite powders were synthesized and confirmed that the mutual diffusion of aluminum and copper occurs through the interfacial plane of (200). The hardness results showed that not only does introducing 4 vol.% of reinforcing particles (SiC or TiC) considerably decrease the porosity of the bulk composite samples, but also it approximately doubles the hardness of Al–4.5 wt.%Cu alloy (53.4 HB). Finally, apart from TEM and scanning electron microscopy observation which are localized, a decline in hardness in the TiC and SiC contained samples, respectively, after 1.5 and 2 h aging time at 473 K proves the fact that the size of SiC particles is smaller than the size of the TiC ones. - Highlights: ► HRTEM results show mutual diffusion of Al and Cu occurs through the (200) planes. ► TiC particles enhance alloying process more than the SiC ones at the early stages of MM. ► SiC particles enhance alloying process more than the TiC ones at the final stages of MM.

  6. Solidification analysis of a centrifugal atomizer using the Al-32.7wt.% Cu alloy

    SciTech Connect (OSTI)

    Osborne, M.G.

    1998-02-23

    A centrifugal atomizer (spinning disk variety) was designed and constructed for the production of spherical metal powders, 100--1,000 microns in diameter in an inert atmosphere. Initial atomization experiments revealed the need for a better understanding of how the liquid metal was atomized and how the liquid droplets solidified. To investigate particle atomization, Ag was atomized in air and the process recorded on high-speed film. To investigate particle solidification, Al-32.7 wt.% Cu was atomized under inert atmosphere and the subsequent particles were examined microscopically to determine solidification structure and rate. This dissertation details the experimental procedures used in producing the Al-Cu eutectic alloy particles, examination of the particle microstructures, and determination of the solidification characteristics (e.g., solidification rate) of various phases. Finally, correlations are proposed between the operation of the centrifugal atomizer and the observed solidification spacings.

  7. Surface and grain boundary scattering in nanometric Cu thin films: A quantitative analysis including twin boundaries

    SciTech Connect (OSTI)

    Barmak, Katayun [Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 and Department of Materials Science and Engineering and Materials Research Science and Engineering Center, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213 (United States); Darbal, Amith [Department of Materials Science and Engineering and Materials Research Science and Engineering Center, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213 (United States); Ganesh, Kameswaran J.; Ferreira, Paulo J. [Materials Science and Engineering, The University of Texas at Austin, 1 University Station, Austin, Texas 78712 (United States); Rickman, Jeffrey M. [Department of Materials Science and Engineering and Department of Physics, Lehigh University, Bethlehem, Pennsylvania 18015 (United States); Sun, Tik; Yao, Bo; Warren, Andrew P.; Coffey, Kevin R., E-mail: kb2612@columbia.edu [Department of Materials Science and Engineering, University of Central Florida, 4000 Central Florida Boulevard, Orlando, Florida 32816 (United States)

    2014-11-01

    The relative contributions of various defects to the measured resistivity in nanocrystalline Cu were investigated, including a quantitative account of twin-boundary scattering. It has been difficult to quantitatively assess the impact twin boundary scattering has on the classical size effect of electrical resistivity, due to limitations in characterizing twin boundaries in nanocrystalline Cu. In this study, crystal orientation maps of nanocrystalline Cu films were obtained via precession-assisted electron diffraction in the transmission electron microscope. These orientation images were used to characterize grain boundaries and to measure the average grain size of a microstructure, with and without considering twin boundaries. The results of these studies indicate that the contribution from grain-boundary scattering is the dominant factor (as compared to surface scattering) leading to enhanced resistivity. The resistivity data can be well-described by the combined FuchsSondheimer surface scattering model and MayadasShatzkes grain-boundary scattering model using Matthiessen's rule with a surface specularity coefficient of p?=?0.48 and a grain-boundary reflection coefficient of R?=?0.26.

  8. Raman spectra of Cu{sub 2}B{sup II}C{sup IV}X{sub 4}{sup VI} magnetic quaternary semiconductor compounds with tetragonal stannite type structure

    SciTech Connect (OSTI)

    Rincón, C. Quintero, M.; Power, Ch.; Moreno, E.; Quintero, E.; Morocoima, M.; Henao, J. A.; Macías, M. A.

    2015-05-28

    A comparative study of the Raman spectra of Cu{sub 2}B{sup II}C{sup IV}S{sub 4}{sup VI} and Cu{sub 2}B{sup II}C{sup IV}Se{sub 4}{sup VI}(where B = Mn or Fe) magnetic quaternary semiconductor compounds with stannite-type structure (I4{sup ¯}2m) has been done. Most of the fourteen Raman lines expected for these materials were observed in the spectra. The two strongest lines observed have been assigned to the IR inactive A{sub 1}{sup 1} and A{sub 1}{sup 2} stannite modes that originated from the motion of the S or Se anion around the Cu and C{sup IV} cations remaining at rest. The shift in the frequency of these two lines of about 150 cm{sup −1} to lower energies observed in Cu{sub 2}B{sup II}C{sup IV}Se{sub 4}{sup VI} compounds as compared to those in Cu{sub 2}B{sup II}C{sup IV}S{sub 4}{sup VI} ones, can then be explained as due to the anion mass effect. Based on the fact that values of these frequencies depend mainly on anion mass and bond-stretching forces between nearest-neighbor atoms, the vibrational frequencies v{sup ¯}(A{sub 1}{sup 2}) and v{sup ¯}(A{sub 1}{sup 2}) of both modes for several Cu{sub 2}B{sup II}C{sup IV}X{sub 4}{sup VI} stannite compounds (where X = S, Se, or Te) very close to the experimental data reported for these materials were calculated from a simple model that relates these stretching forces to the anion-cation bond-distances.

  9. Electron backscatter diffraction analysis of gold nanoparticles on Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7−δ}

    SciTech Connect (OSTI)

    Bochmann, A.; Teichert, S.; Katzer, C.; Schmidl, F.

    2015-06-07

    It has been shown recently that the incorporation of gold nanoparticles into Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7−δ} enhances the superconducting properties of this material in a significant way. Previous XRD and TEM investigations suggest different crystallographic relations of the gold nanoparticles with respect to the epitaxial Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7−δ}. Here, detailed investigations of the crystal orientations for a large ensemble of gold nanoparticles with electron backscatter diffraction are reported. The average size of the gold nanoparticles is in the range of 60 nm–80 nm. We identified five different types of heteroepitaxial relationships between the gold nanoparticles and the superconductor film, resulting in complex pole figures. The observed different types of crystallographic orientations are discussed based on good lattice matching and the formation of low energy interfaces.

  10. Doping Cu{sub 2}O in Electrolyte Solution: Dopant Incorporation, Atomic Structures and Electrical Properties

    SciTech Connect (OSTI)

    Tao, Meng; Zhang, Qiming

    2013-11-24

    We have pursued a number of research activities between April 2010 and April 2011:  A detailed study on n-type doping in Cu2O by Br;  An analysis of natural resource limitations to terawatt-scale solar cells;  Attempt to achieve a 1.4-eV direct band gap in Ni sulfides (NiSx);  First-principles studies of doping in Cu2O and electronic structures of NiSx.

  11. Phase transformation between Cu(In,Sn){sub 2} and Cu{sub 2}(In,Sn) compounds formed on single crystalline Cu substrate during solid state aging

    SciTech Connect (OSTI)

    Tian, Feifei; Liu, Zhi-Quan Guo, Jingdong

    2014-01-28

    Interfacial reactions between eutectic SnIn and single crystalline Cu during solid-state aging at low temperature were investigated systematically. Three types of phase transformations between Cu(In,Sn){sub 2} layer and Cu{sub 2}(In,Sn) layer were observed, which are Cu(In,Sn){sub 2} grows and Cu{sub 2}(In,Sn) consumes at 40?C, Cu(In,Sn){sub 2} and Cu{sub 2}(In,Sn) grow simultaneously at 60?C, as well as Cu(In,Sn){sub 2} consumes and Cu{sub 2}(In,Sn) grows at 80 and 100?C. According to physicochemical approach, the chemical reactions at Cu/Cu{sub 2}(In,Sn)/Cu(In,Sn){sub 2}/SnIn interfaces were discussed in detail. It was concluded that the diffusion ability of Cu and In atoms dominated different phase transformations. When diffusion constants k{sub 1In2}?>?8/3k{sub 1Cu2} Cu(In,Sn){sub 2} will grow, and if k{sub 1Cu2}???k{sub 1In2} Cu{sub 2}(In,Sn) will grow. Both Cu(In,Sn){sub 2} and Cu{sub 2}(In,Sn) can grow in the condition of k{sub 1In2} ? k{sub 1Cu2}. The values of k{sub 1Cu2} and k{sub 1In2} at different temperatures on (100)Cu and (111)Cu substrate were also calculated or estimated by analyzing the growth kinetics of the compound layers.

  12. Film Deposition, Cryogenic RF Testing and Materials Analysis of a Nb/Cu Single Cell SRF Cavity

    SciTech Connect (OSTI)

    Zhao, Xin; Geng, Rongli; Palczerski, Ari; Li, Yongming

    2013-09-01

    In this study, we present preliminary results on using a cathodic-arc-discharge Nb plasma ion source to establish a Nb film-coated single-cell Cu cavity for SRF research. The polycrystalline Cu cavity was fabricated and mirror-surface-finished by a centrifugal barrel polishing (CBP) process at Jefferson Lab. Special pre-coating processes were conducted, in order to create a template-layer for follow-on Nb grain thickening. A sequence of cryogenic RF testing demonstrated that the Nb film does show superconductivity. But the quality factor of this Nb/Cu cavity is low as a result of high residual surface resistance. We are conducting a thorough materials characterization to explore if some microstructural defects or hydrogen impurities, led to such a low quality factor.

  13. Toward the Routine Analysis of Diverse Data Types

    SciTech Connect (OSTI)

    Whitney, Paul D.; Cox, Dennis; Daly, Don S.; Foote, Harlan P.; McQuerry, Dennis L.; Sloughter, James M.

    2003-12-01

    It is a great time to be a data analyst. The variety and quantity of data, in digitized forms, are increasing. The growth of computer networking and the corresponding use of the network via the World Wide Web have provided, in the form of text, a large dynamic information store. There is wide access to more financial data than can typically be understood. Digital imagery is on the rise; an explosion in the amount of digital video is forthcoming. And, information from scientific instruments is provided across a network with increasing frequency. However, data analysis tools and the corresponding theory are not keeping pace with this scale and diversity of data.

  14. CuAl{sub x}Ga{sub 1?x}Se{sub 2} thin films for photovoltaic applications: Optical and compositional analysis

    SciTech Connect (OSTI)

    Lpez-Garca, J.; Maffiotte, C.; Guilln, C.; Herrero, J.

    2013-03-15

    Highlights: ? Wide band gap CAGS thin films have been obtained by selenization of evaporated metallic precursors. ? Direct nonlinear dependence of the band gap energy with the Al/(Al + Ga) ratio is found. ? The bowing parameter decreases when the CAGS film thickness increases. ? The Cu at% remains constant in depth, together with some Al, Ga and Se gradients. ? Surface is strongly oxidized but the oxidation is relatively low in bulk. - Abstract: Wide-band gap chalcopyrite semiconductors have a great interest due to their potential application in multi-junction thin film solar cells or as window layers. Polycrystalline CuAl{sub x}Ga{sub 1?x}Se{sub 2} (CAGS) thin films have been prepared by selenization of evaporated metallic precursor layers on bare and Mo-coated soda lime glass substrates. The optical properties of CAGS films of 2 thicknesses have been analyzed by spectrophotometry in the visible-infrared (VIS-IR) and the compositional characteristics have been studied by energy dispersive analysis of X-rays (EDAX) and X-ray photoelectron spectroscopy (XPS). The optical transmission increases and the band gap energy shifts toward higher values as the Al content increases, which indicates the partial substitution of Ga by Al. The dependence of the band gap with the composition has resulted to be nonlinear and a bowing parameter of b = 0.62 and b = 0.54 for 0.6 ?m and 1.1 ?m-CAGS samples, respectively, has been obtained. XPS data have shown an Al, Ga and Se composition gradient in depth and a surface strongly oxidized. However, XPS reveals that the Cu composition remains constant in depth and the oxidation is relatively low in bulk increasing slightly in the interface with Mo/SLG. Moreover, samples with high Al content reveal a higher contribution of CuO in depth.

  15. Analysis of the spin Hall effect in CuIr alloys: Combined approach of density functional theory and Hartree-Fock approximation

    SciTech Connect (OSTI)

    Xu, Zhuo Gu, Bo; Mori, Michiyasu; Maekawa, Sadamichi; Ziman, Timothy

    2015-05-07

    We analyze the spin Hall effect in CuIr alloys in theory by the combined approach of the density functional theory (DFT) and Hartree-Fock (HF) approximation. The spin Hall angle (SHA) is obtained to be negative without the local correlation effects. After including the local correlation effects of the 5d orbitals of Ir impurities, the SHA becomes positive with realistic correlation parameters and consistent with experiment [Niimi et al., Phys. Rev. Lett. 106, 126601 (2011)]. Moreover, our analysis shows that the DFT + HF approach is a convenient and general method to study the influence of local correlation effects on the spin Hall effect.

  16. U.S. Crude Oil Production Forecast-Analysis of Crude Types

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

    of Energy Washington, DC 20585 U.S. Energy Information Administration | U.S. Crude Oil Production Forecast-Analysis of Crude Types i This report was prepared by the U.S....

  17. Noncentrosymmetric rare-earth copper gallium chalcogenides RE{sub 3}CuGaCh{sub 7} (RE=La–Nd; Ch=S, Se): An unexpected combination

    SciTech Connect (OSTI)

    Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur

    2015-09-15

    The quaternary rare-earth chalcogenides RE{sub 3}CuGaS{sub 7} and RE{sub 3}CuGaSe{sub 7} (RE=La–Nd) have been prepared by reactions of the elements at 1050 °C and 900 °C, respectively. They crystallize in the noncentrosymmetric La{sub 3}CuSiS{sub 7}-type structure (hexagonal, space group P6{sub 3}, Z=2) in which the a-parameter is largely controlled by the RE component (a=10.0–10.3 Å for the sulfides and 10.3–10.6 Å for the selenides) whereas the c-parameter is essentially fixed by the choice of Ga and chalcogen atoms within tetrahedral units (c=6.1 Å for the sulfides and 6.4 Å for the selenides). They extend the series RE{sub 3}MGaCh{sub 7}, previously known for divalent metal atoms (M=Mn–Ni), differing in that the Cu atoms in RE{sub 3}CuGaCh{sub 7} occupy trigonal planar sites instead of octahedral sites. Among quaternary chalcogenides RE{sub 3}MM′Ch{sub 7}, the combination of monovalent (M=Cu) and trivalent (M′=Ga) metals is unusual because it appears to violate the condition of charge balance satisfied by most La{sub 3}CuSiS{sub 7}-type compounds. The possibility of divalent Cu atoms was ruled out by bond valence sum analysis, magnetic measurements, and X-ray photoelectron spectroscopy. The electron deficiency in RE{sub 3}CuGaCh{sub 7} is accommodated through S-based holes at the top of the valence band, as shown by band structure calculations on La{sub 3}CuGaS{sub 7}. An optical band gap of about 2.0 eV was found for La{sub 3}CuGaSe{sub 7}. - Graphical abstract: The chalcogenides RE{sub 3}CuGaCh{sub 7} contain monovalent Cu in trigonal planes and trivalent Ga in tetrahedra; they are electron-deficient representatives of La{sub 3}CuSiS{sub 7}-type compounds, which normally satisfy charge balance. - Highlights: • Quaternary chalcogenides RE{sub 3}CuGaCh{sub 7} (RE=La–Nd; Ch=S, Se) were prepared. • Bond valence sums, magnetism, and XPS data give evidence for monovalent Cu. • Crystal structures reveal high anisotropy of Cu displacement.

  18. Mg dopant in Cu{sub 2}ZnSnSe{sub 4}: An n-type former and a promoter of electrical mobility up to 120 cm{sup 2} V{sup −1} s{sup −1}

    SciTech Connect (OSTI)

    Kuo, Dong-Hau Wubet, Walelign

    2014-07-01

    Mg-doped Cu{sub 2}ZnSnSe{sub 4} (CZTSe) bulk materials with the (Cu{sub 2−x}Mg{sub x})ZnSnSe{sub 4} formula at x=0, 0.1, 0.2, 0.3, and 0.4 were prepared at 600 °C for 2 h with soluble sintering aids of Sb{sub 2}S{sub 3} and Te. Defect chemistry was studied by measuring structural and electrical properties of Mg-doped CZTSe as a function of dopant concentration. Except at x=0, all Mg-doped CZTSe pellets showed an n-type behavior. The Mg-doped CZTSe pellets showed an n-type behavior. n-Type Mg-CZTSe pellets at x=0.1 showed the highest electrical conductivity of 24.6 S cm{sup −1} and the net hole mobility of 120 cm{sup 2} V{sup −1} s{sup −1}, while they were 11.8 S cm{sup −1} and 36.5 cm{sup 2} V{sup −1} s{sup −1} for the undoped p-type CZTSe. Mg dopant is a strong promoter of electrical mobility. Mg dopant behaves as a donor defect in CZTSe at a 5% doping content, but is also used as an acceptor at a high content above 5%. Mg doping has further developed CZTSe into a promising semiconductor. - Graphical abstract: The effects of extrinsic doping of Mg{sup 2+} on the electrical properties of Cu{sub 2}ZnSnSe{sub 4} bulks. - Highlights: • (Cu{sub 2−x}Mg{sub x})ZnSnSe{sub 4} bulks were fabricated by liquid-phase sintering at 600 °C. • All Mg-x-CZTSe pellets except at x=0 exhibited n-type conductivity. • Electrical properties of CZTSe pellets changed with the Cu and Mg ratios. • Mg{sup 2+} goes to the Cu{sup 1+} site to form the Mg{sub Cu}{sup 1+} donor defect for the n-type CZTSe. • n-Type Mg-0.1-CZTSe bulk with 5% Mg showed the highest mobility of 120 cm{sup 2} V{sup −1} s{sup −1}.

  19. Mass spectrometric helium analysis of solid and gas samples from cold-fusion type experiments

    SciTech Connect (OSTI)

    Oliver, B.M.

    1995-12-01

    A custom mass spectrometer system, operating in static mode, has been used to measure helium in both solid and gas samples front cold-fusion type experiments. The mass spectrometer is a 2-in. Radius, 60{degrees}, permanent angle magnet instrument with a single electron-multiplier collecting. Depending on the absolute levels of helium expected, the analysis are conducted by isotope dilution or by measuring absolute collector values. Solid samples are vaporized to ensure complete helium release. Prior to analysis, the fraction of sample gas to be analyzed is exposed to a series of physical and chemical getters, including room temperature Zr-Al alloy (SAES type 101) and liquid-nitrogen cooled activated charcoal. This is done to remove active gases and hydrogen isotopes which could interfere with the helium determinations. Generally, the analysis protocol is to analyze an equal or greater number of {open_quotes}controls{close_quotes} along with the samples to accurately characterize system background and reproducibility. Absolute sensitivity for the system is approximately 1 x 10{sup 9} atoms. Absolute accuracy is 1% or better for helium levels > 10{sup 11} atoms. With few exceptions, helium analysis of solid samples front cold fusion type experiments have yielded no excess helium above usual system background. A few samples have shown helium levels in the low 10{sup 9} atom range, and some gas samples have shown {sup 4}He levels up to several hundred ppm.

  20. Formation of self-organized quantum dot structures and quasi-perfect CuPt-type ordering by gas-source MBE growth of (GaP){sub n}(InP){sub n} superlattices

    SciTech Connect (OSTI)

    Kim, S.J.; Asahi, H.; Takemoto, M.; Asami, K.; Takeuchi, M.; Gonda, S.

    1996-12-31

    (GaP){sub n}(InP){sub n} short period superlattices (SLs) are grown on GaAs(N11) substrates by gas-source MBE. Transmission electron microscopy observations show that the SLs grown on GaAs(311)A and (411)A have dot structures with a size of about 10--20nm. Photoluminescence (PL) peak energies are greatly dependent on substrate orientation and monolayer number n. On the other hand, the (GaP){sub 1}(InP){sub 1} SLs grown on (111) have no composition modulation and have quasi-perfect CuPt-type ordering along the [111] growth direction. The PL peak energy is 321 meV lower than that of disordered InGaP alloy. Self-organized (GaP){sub n}(InP){sub m} SL(dot/barrier)/In{sub 0.49}Ga{sub 0.51}P(barrier) quantum dot structures exhibit strong 77K PL with a full width at half maximum of about 70 meV.

  1. Growth, characterization and electrochemical properties of hierarchical CuO nanostructures for supercapacitor applications

    SciTech Connect (OSTI)

    Krishnamoorthy, Karthikeyan; Kim, Sang-Jae

    2013-09-01

    Graphical abstract: - Highlights: Hierarchical CuO nanostructures were grown on Cu foil. Monoclinic phase of CuO was grown. XPS analysis revealed the presence of Cu(2p{sub 3/2}) and Cu(2p{sub 1/2}) on the surfaces. Specific capacitance of 94 F/g was achieved for the CuO using cyclic voltammetry. Impedance spectra show their pseudo capacitor applications. - Abstract: In this paper, we have investigated the electrochemical properties of hierarchical CuO nanostructures for pseudo-supercapacitor device applications. Moreover, the CuO nanostructures were formed on Cu substrate by in situ crystallization process. The as-grown CuO nanostructures were characterized using X-ray diffraction (XRD), Fourier transform-infra red spectroscopy (FT-IR), X-ray photoelectron spectroscopy and field emission-scanning electron microscope (FE-SEM) analysis. The XRD and FT-IR analysis confirm the formation of monoclinic CuO nanostructures. FE-SEM analysis shows the formation of leave like hierarchical structures of CuO with high uniformity and controlled density. The electrochemical analysis such as cyclic voltammetry and electrochemical impedance spectroscopy studies confirms the pseudo-capacitive behavior of the CuO nanostructures. Our experimental results suggest that CuO nanostructures will create promising applications of CuO toward pseudo-supercapacitors.

  2. Synthesis of Cu{sub 2}O from CuO thin films: Optical and electrical properties

    SciTech Connect (OSTI)

    Murali, Dhanya S. Jain, Mahaveer K.; Subrahmanyam, A.; Kumar, Shailendra; Choudhary, R. J.; Wadikar, Avinash D.

    2015-04-15

    Hole conducting, optically transparent Cu{sub 2}O thin films on glass substrates have been synthesized by vacuum annealing (5×10{sup −6} mbar at 700 K for 1 hour) of magnetron sputtered (at 300 K) CuO thin films. The Cu{sub 2}O thin films are p-type and show enhanced properties: grain size (54.7 nm), optical transmission 72% (at 600 nm) and Hall mobility 51 cm{sup 2}/Vs. The bulk and surface Valence band spectra of Cu{sub 2}O and CuO thin films are studied by temperature dependent Hall effect and Ultra violet photo electron Spectroscopy (UPS). CuO thin films show a significant band bending downwards (due to higher hole concentration) than Cu{sub 2}O thin films.

  3. X-ray diffraction analysis of LiCu{sub 2}O{sub 2} crystals with additives of silver atoms

    SciTech Connect (OSTI)

    Sirotinkin, V. P. Bush, A. A.; Kamentsev, K. E.; Dau, H. S.; Yakovlev, K. A.; Tishchenko, E. A.

    2015-09-15

    Silver-containing LiCu{sub 2}O{sub 2} crystals up to 4 × 8 × 8 mm in size were grown by the crystallization of 80(1-x)CuO · 20{sub x}AgNO{sub 3} · 20Li{sub 2}CO{sub 3} (0 ≤ x ≤ 0.5) mixture melt. According to the X-ray spectral and Rietveld X-ray diffraction data, the maximum amount of silver incorporated in the LiCu{sub 2}O{sub 2} structure is about 4 at % relative to the copper content. It was established that silver atoms occupy statistically crystallographic positions of lithium atoms. The incorporation of silver atoms is accompanied by a noticeable increase in parameter c of the LiCu{sub 2}O{sub 2} rhombic unit cell, a slight increase in parameter a, and a slight decrease in parameter b.

  4. Thermochemical process for recovering Cu from CuO or CuO.sub.2

    DOE Patents [OSTI]

    Richardson, deceased, Donald M.; Bamberger, Carlos E.

    1981-01-01

    A process for producing hydrogen comprises the step of reacting metallic Cu with Ba(OH).sub.2 in the presence of steam to produce hydrogen and BaCu.sub.2 O.sub.2. The BaCu.sub.2 O.sub.2 is reacted with H.sub.2 O to form Cu.sub.2 O and a Ba(OH).sub.2 product for recycle to the initial reaction step. Cu can be obtained from the Cu.sub.2 O product by several methods. In one embodiment the Cu.sub.2 O is reacted with HF solution to provide CuF.sub.2 and Cu. The CuF.sub.2 is reacted with H.sub.2 O to provide CuO and HF. CuO is decomposed to Cu.sub.2 O and O.sub.2. The HF, Cu and Cu.sub.2 O are recycled. In another embodiment the Cu.sub.2 O is reacted with aqueous H.sub.2 SO.sub.4 solution to provide CuSO.sub.4 solution and Cu. The CuSO.sub.4 is decomposed to CuO and SO.sub.3. The CuO is decomposed to form Cu.sub.2 O and O.sub.2. The SO.sub.3 is dissolved to form H.sub.2 SO.sub.4. H.sub.2 SO.sub.4, Cu and Cu.sub.2 O are recycled. In another embodiment Cu.sub.2 O is decomposed electrolytically to Cu and O.sub.2. In another aspect of the invention, Cu is recovered from CuO by the steps of decomposing CuO to Cu.sub.2 O and O.sub.2, reacting the Cu.sub.2 O with aqueous HF solution to produce Cu and CuF.sub.2, reacting the CuF.sub.2 with H.sub.2 O to form CuO and HF, and recycling the CuO and HF to previous reaction steps.

  5. Characterizing Provenance in Visualization and Data Analysis: An Organizational Framework of Provenance Types and Purposes

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

    Ragan, Eric; Alex, Endert; Sanyal, Jibonananda; Chen, Jian

    2016-01-01

    While the primary goal of visual analytics research is to improve the quality of insights and findings, a substantial amount of research in provenance has focused on the history of changes and advances throughout the analysis process. The term, provenance, has been used in a variety of ways to describe different types of records and histories related to visualization. The existing body of provenance research has grown to a point where the consolidation of design knowledge requires cross-referencing a variety of projects and studies spanning multiple domain areas. We present an organizational framework of the different types of provenance informationmore » and purposes for why they are desired in the field of visual analytics. Our organization is intended to serve as a framework to help researchers specify types of provenance and coordinate design knowledge across projects. We also discuss the relationships between these factors and the methods used to capture provenance information. In addition, our organization can be used to guide the selection of evaluation methodology and the comparison of study outcomes in provenance research« less

  6. Unexpected crystal and magnetic structures in MnCu4In and MnCu4Sn

    SciTech Connect (OSTI)

    Provino, A.; Paudyal, D.; Fornasini, ML; Dhiman, I.; Dhar, SK.; Das, A.; Mudryk, Y.; Manfrinetti, P.; Pecharsky, VK

    2013-01-29

    We discovered a new compound MnCu4In with its own hexagonal structure type (hP12-P63mc, ternary ordered derivative of the hexagonal MgZn2-type) that becomes ferromagnetic at TC = 540 K. This transition temperature is higher than that found in the MnCu2In and MnCu2Sn alloys. In contrast, the homologous compound MnCu4Sn, which crystallizes in the cubic MgCu4Sn-type, orders antiferromagnetically with TN = 110 K. The neutron diffraction studies show ferromagnetic spin orientation in the {1 0 1} plane in MnCu4In with a magnetic moment of 4.5 ?B/Mn at 22 K, and a corresponding value of 4.7 ?B/Mn in the antiferromagnetic MnCu4Sn with propagation vector View the MathML source. The first-principles electronic structure calculations show that the unexpected difference in both magnetic and crystal structures of MnCu4In and MnCu4Sn is due to the difference in the Mn-3d bands and exchange interactions relating to different crystal anisotropy, coordination numbers, and interatomic distances.

  7. Trace element analysis of soil type collected from the Manjung and central Perak

    SciTech Connect (OSTI)

    Azman, Muhammad Azfar Hamzah, Suhaimi; Rahman, Shamsiah Abdul; Elias, Md Suhaimi; Abdullah, Nazaratul Ashifa; Hashim, Azian; Shukor, Shakirah Abd; Kamaruddin, Ahmad Hasnulhadi Che

    2015-04-29

    Trace elements in soils primarily originated from their parent materials. Parents’ material is the underlying geological material that has been undergone different types of chemical weathering and leaching processes. Soil trace elements concentrations may be increases as a result of continuous input from various human activities, including power generation, agriculture, mining and manufacturing. This paper describes the Neutron Activation Analysis (NAA) method used for the determination of trace elements concentrations in part per million (ppm) present in the terrestrial environment soil in Perak. The data may indicate any contamination of trace elements contributed from human activities in the area. The enrichment factors were used to check if there any contamination due to the human activities (power plants, agricultural, mining, etc.) otherwise the values would serve as a baseline data for future study. The samples were collected from 27 locations of different soil series in the area at two different depths: the top soil (0-15cm) and the sub soil (15-30cm). The collected soil samples were air dried at 60°C and passed through 2 µm sieve. Instrumental Neutron Activation Analysis (NAA) has been used for the determination of trace elements. Samples were activated in the Nuclear Malaysia TRIGA Mark II reactor followed by gamma spectrometric analysis. By activating the stable elements in the samples, the elements can be determined from the intensities of gamma energies emitted by the respected radionuclides.

  8. Normal conditions of transport thermal analysis and testing of a Type B drum package

    SciTech Connect (OSTI)

    Jerrell, J.W.; Alstine, M.N. van; Gromada, R.J.

    1995-11-01

    Increasing the content limits of radioactive material packagings can save money and increase transportation safety by decreasing the total number of shipments required to transport large quantities of material. The contents of drum packages can be limited by unacceptable containment vessel pressures and temperatures due to the thermal properties of the insulation. The purpose of this work is to understand and predict the effects of insulation properties on containment system performance. The type B shipping container used in the study is a double containment fiberboard drum package. The package is primarily used to transport uranium and plutonium metals and oxides. A normal condition of transport (NCT) thermal test was performed to benchmark an NCT analysis of the package. A 21 W heater was placed in an instrumented package to simulate the maximum source decay heat. The package reached thermal equilibrium 120 hours after the heater was turned on. Testing took place indoors to minimize ambient temperature fluctuations. The thermal analysis of the package used fiberboard properties reported in the literature and resulted in temperature significantly greater than those measured during the test. Details of the NCT test will be described and transient temperatures at key thermocouple locations within the package will be presented. Analytical results using nominal fiberboard properties will be presented. Explanations of the results and the attempt to benchmark the analysis will be presented. The discovery that fiberboard has an anisotropic thermal conductivity and its effect on thermal performance will also be discussed.

  9. Development of flow network analysis code for block type VHTR core by linear theory method

    SciTech Connect (OSTI)

    Lee, J. H.; Yoon, S. J.; Park, J. W.; Park, G. C.

    2012-07-01

    VHTR (Very High Temperature Reactor) is high-efficiency nuclear reactor which is capable of generating hydrogen with high temperature of coolant. PMR (Prismatic Modular Reactor) type reactor consists of hexagonal prismatic fuel blocks and reflector blocks. The flow paths in the prismatic VHTR core consist of coolant holes, bypass gaps and cross gaps. Complicated flow paths are formed in the core since the coolant holes and bypass gap are connected by the cross gap. Distributed coolant was mixed in the core through the cross gap so that the flow characteristics could not be modeled as a simple parallel pipe system. It requires lot of effort and takes very long time to analyze the core flow with CFD analysis. Hence, it is important to develop the code for VHTR core flow which can predict the core flow distribution fast and accurate. In this study, steady state flow network analysis code is developed using flow network algorithm. Developed flow network analysis code was named as FLASH code and it was validated with the experimental data and CFD simulation results. (authors)

  10. Development of HELIOS/CAPP code system for the analysis of block type VHTR cores

    SciTech Connect (OSTI)

    Lee, H. C.; Han, T. Y.; Jo, C. K.; Noh, J. M.

    2012-07-01

    In this paper, the HELIOS/CAPP code system developed for the analysis of block type VHTR cores is presented and verified against several VHTR core configurations. Verification results shows that HELIOS code predicts less negative MTC and RTC than McCARD code does and thus HELIOS code overestimates the multiplication factors at the states with high moderator and reflector temperature especially when the B{sub 4}C BP is loaded. In the depletion calculation for the VHTR single cell fuel element, the error of HELIOS code increases as burnup does. It is ascribed to the fact that HELIOS code treats some fission product nuclides with large resonances as non-resonant nuclides. In the 2-D core depletion calculation, a relatively large reactivity error is observed in the case with BP loading while the reactivity error in the case without BP loading is less than 300 pcm. (authors)

  11. Impact Analysis of a Dipper-Type and Multi Spring-Type Fuel Rod Support Grid Assemblies in PWR

    SciTech Connect (OSTI)

    Song, K.N.; Yoon, K.H.; Park, K.J.; Park, G.J.; Kang, B.S.

    2002-07-01

    A spacer grid is one of the main structural components in a fuel assembly of a Pressurized light Water Reactor (PWR). It supports fuel rods, guides cooling water, and maintains geometry from external impact loads. A simulation is performed for the strength of a spacer grid under impact load. The critical impact load that leads to plastic deformation is identified by a free-fall test. A finite element model is established for the nonlinear simulation of the test. The simulation model is tuned based on the free-fall test. The model considers the aspects of welding and the contacts between components. Nonlinear finite element analysis is carried out by a software system called LS/DYNA3D. The results are discussed from a design viewpoint. (authors)

  12. The LTS timing analysis program : user%3CU%2B2019%3Es manual and description of the methods of analysis.

    SciTech Connect (OSTI)

    Armstrong, Darrell Jewell; Schwarz, Jens

    2013-08-01

    The LTS Timing Analysis program described in this report uses signals from the Tempest Lasers, Pulse Forming Lines, and Laser Spark Detectors to carry out calculations to quantify and monitor the performance of the the Z-Accelerator's laser triggered SF6 switches. The program analyzes Z-shots beginning with Z2457, when Laser Spark Detector data became available for all lines.

  13. Experimental and vector analysis on gamma type Stirling engine with hot power cylinder

    SciTech Connect (OSTI)

    Isshiki, Naotsugu; Tsukahara, Shigeji; Ohtomo, Michihiro

    1995-12-31

    In 1993, the superiority of hot end connected power cylinder gamma type Stirling engine (HEC) compared to the conventional cold end connected power cylinder engine (CEC) was reported by Prof. J.Kentfield of the University of Calgary. It is a great thing that he introduced the HEC engine, and it reminded the authors that in 1980, they built and experimented with a three cylinder 3kW Stirling engine SRI-1, in which two cylinders are positively heated by gas, that is called HCH (Hot, Cold and Hot) engine as shown in a figure, and having similarity to the above HEC. The authors have developed a quite simple and understandable approximate harmonic vector analysis method for Stirling machines. By this, Kentfield`s HEC engine and their HCH engine are expressed by the same figure as shown in the paper. The similarity and superiority of HEC and HCH compared to CEC and CHC are easily shown by the vector analysis method with physical reason.

  14. Antiferromagnetism in EuCu2As2 and EuCu1.82Sb2 single crystals

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

    Anand, V. K.; Johnston, D. C.

    2015-05-07

    Single crystals of EuCu2As2 and EuCu2Sb2 were grown from CuAs and CuSb self-flux, respectively. The crystallographic, magnetic, thermal, and electronic transport properties of the single crystals were investigated by room-temperature x-ray diffraction (XRD), magnetic susceptibility χ versus temperature T, isothermal magnetization M versus magnetic field H, specific heat Cp(T), and electrical resistivity ρ(T) measurements. EuCu2As2 crystallizes in the body-centered tetragonal ThCr2Si2-type structure (space group I4/mmm), whereas EuCu2Sb2 crystallizes in the related primitive tetragonal CaBe2Ge2-type structure (space group P4/nmm). The energy-dispersive x-ray spectroscopy and XRD data for the EuCu2Sb2 crystals showed the presence of vacancies on the Cu sites, yielding themore » actual composition EuCu1.82Sb2. The ρ(T) and Cp(T) data reveal metallic character for both EuCu2As2 and EuCu1.82Sb2. Antiferromagnetic (AFM) ordering is indicated from the χ(T),Cp(T), and ρ(T) data for both EuCu2As2 (TN = 17.5 K) and EuCu1.82Sb2 (TN = 5.1 K). In EuCu1.82Sb2, the ordered-state χ(T) and M(H) data suggest either a collinear A-type AFM ordering of Eu+2 spins S = 7/2 or a planar noncollinear AFM structure, with the ordered moments oriented in the tetragonal ab plane in either case. This ordered-moment orientation for the A-type AFM is consistent with calculations with magnetic dipole interactions. As a result, the anisotropic χ(T) and isothermal M(H) data for EuCu2As2, also containing Eu+2 spins S = 7/2, strongly deviate from the predictions of molecular field theory for collinear AFM ordering and the AFM structure appears to be both noncollinear and noncoplanar.« less

  15. Conducting mechanisms of forming-free TiW/Cu{sub 2}O/Cu memristive devices

    SciTech Connect (OSTI)

    Yan, P.; Li, Y.; Hui, Y. J.; Zhong, S. J.; Zhou, Y. X.; Xu, L.; Liu, N.; Qian, H.; Sun, H. J. Miao, X. S.

    2015-08-24

    P-type Cu{sub 2}O is a promising CMOS-compatible candidate to fabricate memristive devices for next-generation memory, logic and neuromorphic computing. In this letter, the microscopic switching and conducting mechanisms in TiW/Cu{sub 2}O/Cu memristive devices have been thoroughly investigated. The bipolar resistive switching behaviors without an electro-forming process are ascribed to the formation and rupture of the conducting filaments composed of copper vacancies. In the low resistive state, the transport of electrons in the filaments follows Mott's variable range hopping theory. When the devices switch back to high resistive state, the coexistence of Schottky emission at the Cu/Cu{sub 2}O interface and electron hopping between the residual filaments is found to dominate the conducting process. Our results will contribute to the further understanding and optimization of p-type memristive materials.

  16. Synthesis and characterization of CuInS{sub 2} nanostructure by ultrasonic-assisted method and different precursors

    SciTech Connect (OSTI)

    Mousavi-Kamazani, Mehdi; Salavati-Niasari, Masoud; Department of Inorganic Chemistry, Faculty of Chemistry, University of Kashan, Kashan, P.O. Box 87317-51167 ; Emadi, Hamid

    2012-12-15

    Graphical abstract: Display Omitted Highlights: ► CuInS{sub 2} nanoparticles were synthesized by ultrasonic assisted method. ► CuInS{sub 2} nanoparticles obtained after annealing at 350 °C for 1 h. ► The effect of some parameters including ultrasonic was investigated. -- Abstract: This paper reports on the synthesis of CuInS{sub 2} nanostructure via an ultrasonic assisted method by employing different sulfur source. Morphology, structure and composition of the obtained products were characterized by X-ray diffraction (XRD), energy dispersive X-ray analysis (EDX), scanning electron microscope (SEM), infrared (IR) spectrum, and photoluminescence (PL) spectroscopy. The effects of ultrasonic irradiation, power and time of irradiation, surfactant, and type of copper source were investigated.

  17. A NMR-Based Carbon-Type Analysis of Diesel Fuel Blends From Various Sources

    SciTech Connect (OSTI)

    Bays, J. Timothy; King, David L.

    2013-05-10

    In collaboration with participants of the Coordinating Research Council (CRC) Advanced Vehicle/Fuels/Lubricants (AVFL) Committee, and project AVFL-19, the characteristics of fuels from advanced and renewable sources were compared to commercial diesel fuels. The main objective of this study was to highlight similarities and differences among the fuel types, i.e. ULSD, renewables, and alternative fuels, and among fuels within the different fuel types. This report summarizes the carbon-type analysis from 1H and 13C{1H} nuclear magnetic resonance spectroscopy (NMR) of 14 diesel fuel samples. The diesel fuel samples come from diverse sources and include four commercial ultra-low sulfur diesel fuels (ULSD), one gas-to-liquid diesel fuel (GTL), six renewable diesel fuels (RD), two shale oil-derived diesel fuels, and one oil sands-derived diesel fuel. Overall, the fuels examined fall into two groups. The two shale oil-derived samples and the oil-sand-derived sample closely resemble the four commercial ultra-low sulfur diesels, with SO1 and SO2 most closely matched with ULSD1, ULSD2, and ULSD4, and OS1 most closely matched with ULSD3. As might be expected, the renewable diesel fuels, with the exception of RD3, do not resemble the ULSD fuels because of their very low aromatic content, but more closely resemble the gas-to-liquid sample (GTL) in this respect. RD3 is significantly different from the other renewable diesel fuels in that the aromatic content more closely resembles the ULSD fuels. Fused-ring aromatics are readily observable in the ULSD, SO, and OS samples, as well as RD3, and are noticeably absent in the remaining RD and GTL fuels. Finally, ULSD3 differs from the other ULSD fuels by having a significantly lower aromatic carbon content and higher cycloparaffinic carbon content. In addition to providing important comparative compositional information regarding the various diesel fuels, this report also provides important information about the capabilities of NMR

  18. Photoelectrochemistry, Electronic Structure, and Bandgap Sizes of Semiconducting Cu(I)-Niobates and Cu(I)-Tantalates

    SciTech Connect (OSTI)

    Maggard, Paul A.

    2013-11-14

    Semiconducting metal-oxides have remained of intense research interest owing to their potential for achieving efficient solar-driven photocatalytic reactions in aqueous solutions that occur as a result of their bandgap excitation. The photocatalytic reduction of water or carbon dioxide to generate hydrogen or hydrocarbon fuels, respectively, can be driven on p-type (photocathodic) electrodes with suitable band energies. However, metal-oxide semiconductors are typically difficult to dope as p-type with a high mobility of carriers. The supported research led to the discovery of new p-type Cu(I)-niobate and Cu(I)-tantalate film electrodes that can be prepared on FTO glass. New high-purity flux syntheses and the full structural determination of several Cu(I)-containing niobates and tantalates have been completed, as well as new investigations of their optical and photoelectrochemical properties and electronic structures via density-functional theory calculations. For example, CuNbO3, Cu5Ta11O30 and CuNb3O8 were prepared in high purity and their structures were characterized by both single-crystal and powder X-ray diffraction techniques. These two classes of Cu(I)-containing compounds exhibit optical bandgap sizes ranging from ~1.3 eV to ~2.6 eV. Photoelectrochemical measurements of these compounds show strong photon-driven cathodic currents that confirm the p-type semiconductor behavior of CuNbO3, CuNb3O8, and Cu5Ta11O30. Incident-photon-to-current efficiencies are measured that approach greater than ~1%. Electronic-structure calculations based on density functional theory reveal the visible-light absorption stems from a nearly-direct bandgap transition involving a copper-to-niobium or tantalum (d10 to d0) charge-transfer excitations.

  19. Spectroscopic Observations and Analysis of the Unusual Type Ia SN1999ac

    SciTech Connect (OSTI)

    Garavini, G.; Aldering, G.; Amadon, A.; Amanullah, R.; Astier,P.; Balland, C.; Blanc, G.; Conley, A.; Dahlen, T.; Deustua, S.E.; Ellis,R.; Fabbro, S.; Fadeyev, V.; Fan, X.; Folatelli, G.; Frye, B.; Gates,E.L.; Gibbons, R.; Goldhaber, G.; Goldman, B.; Goobar, A.; Groom, D.E.; Haissinski, J.; Hardin, D.; Hook, I.; Howell, D.A.; Kent, S.; Kim, A.G.; Knop, R.A.; Kowalski, M.; Kuznetsova, N.; Lee, B.C.; Lidman, C.; Mendez,J.; Miller, G.J.; Moniez, M.; Mouchet, M.; Mourao, A.; Newberg, H.; Nobili, S.; Nugent, P.E.; Pain, R.; Perdereau, O.; Perlmutter, S.; Quimby, R.; Regnault, N.; Rich, J.; Richards, G.T.; Ruiz-Lapuente, P.; Schaefer, B.E.; Schahmaneche, K.; Smith, E.; Spadafora, A.L.; Stanishev,V.; Thomas, R.C.; Walton, N.A.; Wang, L.; Wood-Vasey, W.M.

    2005-07-12

    The authors present optical spectra of the peculiar Type Ia supernova (SN Ia) 1999ac. The data extend from -15 to +42 days with respect to B-band maximum and reveal an event that is unusual in several respects. prior to B-band maximum, the spectra resemble those of SN 1999aa, a slowly declining event, but possess stronger Si II and Ca II signatures (more characteristic of a spectroscopically normal SN). Spectra after B-band maximum appear more normal. The expansion velocities inferred from the Iron lines appear to be lower than average; whereas, the expansion velocity inferred from Calcium H and K are higher than average. The expansion velocities inferred from the Iron lines appear to be lower than average; whereas, the expansion velocity inferred from Calcium H and K are higher than average. The expansion velocities inferred from Si II are among the slowest ever observed, though SN 1999ac is not particularly dim. The analysis of the parameters v{sub 10}(Si II), R(Si II), v, and {Delta}m{sub 15} further underlines the unique characteristics of SN 1999ac. They find convincing evidence of C II {lambda}6580 in the day -15 spectrum with ejection velocity v > 16,000 km s{sup -1}, but this signature disappears by day -9. This rapid evolution at early times highlights the importance of extremely early-time spectroscopy.

  20. Aerodynamic analysis of propeller-type windmills with helical trailing vortices

    SciTech Connect (OSTI)

    Shiao, T.C.

    1980-01-01

    To improve the strip theory for computing the performance of a propeller-type windmill, a more realistic analysis is formulated to include the wake effect. In this dissertation, the finite-wing theory is applied to a rotor blade to find its circulation distribution with the downwash determined from a direct integration of Biot-Savart's law based on the entire helical trailing vortex system. Since no simple analytical solutions can be found for the circulation and the interference factors along a windmill blade, an iterative procedure has been developed to determine the sectional properties at some selected stations. A computer program is constructed for the computation, in which the empirical lift and drag data of the blade airfoil section are programmed. The torque, thrust and power output of the windmill are then obtained by integrating the sectional aerodynamic properties from hub to tip along the blades. Two windmills, one with twisted and tapered blades and the other with uniform blades, are used as examples in predicting the performances. The power computed for the latter windmill agrees well with the measured data. It has been found, according to the computations for the first windmill, that the helical wake may cause a reduction up to 30% in power output of the windmill. The problems of finding the optimum pitch angle for a uniform blade and the optimum distribution of twist angle for a blade of constant chord are considered as some applications of the method derived in this dissertation.

  1. Charge-carrier dynamics in polycrystalline thin-film CuIn{sub 1−x}Ga{sub x}Se{sub 2} photovoltaic devices after pulsed laser excitation: Interface and space-charge region analysis

    SciTech Connect (OSTI)

    Kuciauskas, Darius; Li, Jian V.; Kanevce, Ana; Guthrey, Harvey; Contreras, Miguel; Pankow, Joel; Dippo, Pat; Ramanathan, Kannan

    2015-05-14

    We used time-resolved photoluminescence (TRPL) spectroscopy to analyze time-domain and spectral-domain charge-carrier dynamics in CuIn{sub 1−x}Ga{sub x}Se{sub 2} (CIGS) photovoltaic (PV) devices. This new approach allowed detailed characterization for the CIGS/CdS buffer interface and for the space-charge region. We find that dynamics at the interface is dominated by diffusion, where the diffusion rate is several times greater than the thermionic emission or interface recombination rate. In the space-charge region, the electric field of the pn junction has the largest effect on the carrier dynamics. Based on the minority-carrier (electron) drift-rate dependence on the electric field strength, we estimated drift mobility in compensated CuIn{sub 1−x}Ga{sub x}Se{sub 2} (with x ≈ 0.3) as 22 ± 2 cm{sup 2}(Vs){sup −1}. Analysis developed in this study could be applied to evaluate interface and junction properties of PV and other electronic devices. For CIGS PV devices, TRPL spectroscopy could contribute to understanding effects due to absorber compositional grading, which is one of the focus areas in developing record-efficiency CIGS solar cells.

  2. Weld pool development during GTA and laser beam welding of Type 304 stainless steel; Part I - theoretical analysis

    SciTech Connect (OSTI)

    Zacharia, T.; David, S.A.; Vitek, J.M. ); Debroy, T. )

    1989-12-01

    A computational and experimental study was carried out to quantitatively understand the influence of the heat flow and the fluid flow in the transient development of the weld pool during gas tungsten arc (GTA) and laser beam welding of Type 304 stainless steel. Stationary gas tungsten arc and laser beam welds were made on two heats of Type 304 austenitic stainless steels containing 90 ppm sulfur and 240 ppm sulfur. A transient heat transfer model was utilized to simulate the heat flow and fluid flow in the weld pool. In this paper, the results of the heat flow and fluid flow analysis are presented.

  3. Long-term leaching test of incinerator bottom ash: Evaluation of Cu partition

    SciTech Connect (OSTI)

    Lin, Cheng-Fang Wu, Chung-Hsin; Liu, Yen-Chiun

    2007-07-01

    Two types of leaching tests were performed on the bottom ash from municipal solid waste incinerators. A short-term batch test specified by the America Nuclear Society (ANS) and long-term column tests with acetic acid (pH 5.2) as leaching solution were used to evaluate copper leachability. The Cu leaching after the 5-d ANS test is about 1% of the original Cu content of 5300 mg/kg. Upon addition of a stabilizing agent, the Cu leaching quantity is reduced; the extent of reduction depends on the type of chemical used (phosphate, carbonate and sulfide). The 1.6% Na{sub 2}S addition showed negligible Cu leaching, and Na{sub 2}S was, therefore, used in subsequent column tests. The 30-d column test indicates a steady increase of Cu leaching amount with time and reaches about 1.5% of the original Cu content after 30 d. A 180-d column test further increased the Cu leaching to about 5.1% of the original Cu content, whereas no appreciable Cu leaching was found with the addition of 1.6% Na{sub 2}S. A sequential extraction was conducted on the raw ash, ash with the addition of Na{sub 2}S and the residue ash after 30 d of operation to characterize Cu affinity for different solid fractions. The data were used to evaluate the fate of Cu through these interactions.

  4. Experimental and theoretical analysis of the performance of Stirling engine with pendulum type displacer

    SciTech Connect (OSTI)

    Isshiki, Seita; Isshiki, Naotsugu; Takanose, Eiichiro; Igawa, Yoshiharu

    1995-12-31

    This paper describes the detailed experimental and theoretical performance of new type Stirling engine with pendulum type displacer (PDSE) which was proposed last year. This kind of engine has a pendulum type displacer suspended by the hinge shaft, and swings right and left in displacer space. The present paper mainly discusses the PDSE-3B which is an atmospheric 30[W] engine heated by fuel and cooled by water. It is clear that power required to provide a pendulum type displacer motion is expressed as a simple equation consisting of viscous flow loss term proportional to the square of rotational speed and dynamic pressure loss term proportional to the cube of rotational speed. It is also clear that theoretical engine power defined as the difference between experimental indicated power and power required to provide pendulum type displacer motion agrees well with the experimental engine power. It is also clear that measured Nusselt number of regenerator`s wire meshes agreed with the equation of previous study. In conclusion, PDSE is considered effective for measuring many aspects of performance of the Stirling engine.

  5. Room-temperature thermally induced relaxation effect in a two-dimensional cyano-bridged Cu-Mo bimetal assembly and thermodynamic analysis of the relaxation process

    SciTech Connect (OSTI)

    Umeta, Yoshikazu; Ozaki, Noriaki; Tokoro, Hiroko; Ohkoshi, Shin-ichi

    2013-04-15

    We observed a photo-switching effect in [Cu{sup II}(1,4,8,11-tetraazacyclodecane)]{sub 2}[Mo{sup IV}(CN){sub 8}]{center_dot}10H{sub 2}O by irradiation with 410-nm light around room temperature using infrared spectroscopy. This photo-switching is caused by the photo-induced charge transfer from Mo{sup IV} to Cu{sup II}. The photo-induced phase thermally relaxed to the initial phase with a half-life time of 2.7 Multiplication-Sign 10{sup 1}, 6.9 Multiplication-Sign 10{sup 1}, and 1.7 Multiplication-Sign 10{sup 2} s at 293, 283, and 273 K, respectively. The relaxation process was analyzed using Hauser's equation, k=k{sub 0}exp[-(E{sub a}+E{sub a}{sup *}{gamma}) /k{sub B}T], where k is the rate constant of relaxation, k{sub 0} is the frequency factor, E{sub a} is the activation energy, E{sub a}{sup *} is the additional activation energy due to the cooperativity, and {gamma} is the fraction of the photo-induced phase. k{sub 0}, E{sub a}, and E{sub a}{sup *} were evaluated as 1.28 Multiplication-Sign 10{sup 7}{+-} 2.6 s{sup -1}, 4002 {+-} 188 cm{sup -1}, and 546 {+-} 318 cm{sup -1}, respectively. The value of E{sub a} is much larger than that of the relaxation process for the typical light-induced spin crossover effect (E{sub a} Almost-Equal-To 1000 cm{sup -1}). Room-temperature photo-switching is an important issue in the field of optical functional materials. The present system is useful for the demonstration of high-temperature photo-switching material.

  6. Ab initio molecular dynamics simulations of short-range order in Zr50Cu45Al5 and Cu50Zr45Al5 metallic glasses

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

    Huang, Yuxiang; Huang, Li; Wang, C. Z.; Kramer, M. J.; Ho, K. M.

    2016-02-01

    Comparative analysis between Zr-rich Zr50Cu45Al5 and Cu-rich Cu50Zr45Al5 metallic glasses (MGs) is extensively performed to locate the key structural motifs accounting for their difference of glass forming ability. Here we adopt ab initio molecular dynamics simulations to investigate the local atomic structures of Zr50Cu45Al5 and Cu50Zr45Al5 MGs. A high content of icosahedral-related (full and distorted) orders was found in both samples, while in the Zr-rich MG full icosahedrons < 0,0,12,0 > is dominant, and in the Cu-rich one the distorted icosahedral orders, especially < 0,2,8,2 > and < 0,2,8,1 >, are prominent. And the < 0,2,8,2 > polyhedra in Cu50Zr45Al5more » MG mainly originate from Al-centered clusters, while the < 0,0,12,0 > in Zr50Cu45Al5 derives from both Cu-centered clusters and Al-centered clusters. These difference may be ascribed to the atomic size difference and chemical property between Cu and Zr atoms. Lastly, the relatively large size of Zr and large negative heat of mixing between Zr and Al atoms, enhancing the packing density and stability of metallic glass system, may be responsible for the higher glass forming ability of Zr50Cu45Al5.« less

  7. Ab initio molecular dynamics simulations of short-range order in Zr50Cu45Al5 and Cu50Zr45Al5 metallic glasses

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

    Huang, Yuxiang; Huang, Li; Wang, C. Z.; Kramer, M. J.; Ho, K. M.

    2016-02-01

    In this study, comparative analysis between Zr-rich Zr50Cu45Al5 and Cu-rich Cu50Zr45Al5 metallic glasses (MGs) is extensively performed to locate the key structural motifs accounting for their difference of glass forming ability. Here we adopt ab initio molecular dynamics simulations to investigate the local atomic structures of Zr50Cu45Al5 and Cu50Zr45Al5 MGs. A high content of icosahedral-related (full and distorted) orders was found in both samples, while in the Zr-rich MG full icosahedrons <0,0,12,0> is dominant, and in the Cu-rich one the distorted icosahedral orders, especially <0,2,8,2> and <0,2,8,1>, are prominent. And the <0,2,8,2> polyhedra in Cu50Zr45Al5 MG mainly originate from Al-centeredmore » clusters, while the <0,0,12,0> in Zr50Cu45Al5 derives from both Cu-centered clusters and Al-centered clusters. These difference may be ascribed to the atomic size difference and chemical property between Cu and Zr atoms. The relatively large size of Zr and large negative heat of mixing between Zr and Al atoms, enhancing the packing density and stability of metallic glass system, may be responsible for the higher glass forming ability of Zr50Cu45Al5.« less

  8. Plastic deformation in Al (Cu) interconnects stressed by electromigration and studied by synchrotron polychromatic X-ray microdiffraction

    SciTech Connect (OSTI)

    Advanced Light Source; UCLA; Chen, Kai; Chen, Kai; Tamura, Nobumichi; Valek, Bryan C.; Tu, King-Ning

    2008-05-14

    We report here an in-depth synchrotron radiation based white beam X-ray microdiffraction study of plasticity in individual grains of an Al (Cu) interconnect during the early stage of electromigration. The study shows a rearrangement of the geometrically necessary dislocations (GND) in bamboo typed grains during that stage. We find that about 90percent of the GNDs are oriented so that their line direction is the closest to the current flow direction. In non-bamboo typed grains, the Laue peak positions shift, indicating that the grains rotate. An analysis in terms of force directions has been carried out and is consistent with observed electromigration induced grain rotation and bending.

  9. Hydrodynamic evolution and jet energy loss in Cu + Cu collisions

    SciTech Connect (OSTI)

    Schenke, Bjoern; Jeon, Sangyong; Gale, Charles

    2011-04-15

    We present results from a hybrid description of Cu + Cu collisions using (3 + 1)-dimensional hydrodynamics (music) for the bulk evolution and a Monte Carlo simulation (martini) for the evolution of high-momentum partons in the hydrodynamical background. We explore the limits of this description by going to small system sizes and determine the dependence on different fractions of wounded nucleon and binary collisions scaling of the initial energy density. We find that Cu + Cu collisions are well described by the hybrid description at least up to 20% central collisions.

  10. Influence of Al/CuO reactive multilayer films additives on exploding foil initiator

    SciTech Connect (OSTI)

    Zhou Xiang; Shen Ruiqi; Ye Yinghua; Zhu Peng; Hu Yan; Wu Lizhi

    2011-11-01

    An investigation on the influence of Al/CuO reactive multilayer films (RMFs) additives on exploding foil initiator was performed in this paper. Cu film and Cu/Al/CuO RMFs were produced by using standard microsystem technology and RF magnetron sputtering technology, respectively. Scanning electron microscopy characterization revealed the distinct layer structure of the as-deposited Al/CuO RMFs. Differential scanning calorimetry was employed to ascertain the amount of heat released in the thermite reaction between Al films and CuO films, which was found to be 2024 J/g. Electrical explosion tests showed that 600 V was the most matching voltage for our set of apparatus. The explosion process of two types of films was observed by high speed camera and revealed that compared with Cu film, an extra distinct combustion phenomenon was detected with large numbers of product particles fiercely ejected to a distance of about six millimeters for Cu/Al/CuO RMFs. By using the atomic emission spectroscopy double line technique, the reaction temperature was determined to be about 6000-7000 K and 8000-9000 K for Cu film and Cu/Al/CuO RMFs, respectively. The piezoelectricity of polyvinylidene fluoride film was employed to measure the average velocity of the slapper accelerated by the explosion of the films. The average velocities of the slappers were calculated to be 381 m/s and 326 m/s for Cu film and Cu/Al/CuO RMFs, respectively, and some probable reasons were discussed with a few suggestions put forward for further work.

  11. An in-situ phosphorus source for the synthesis of Cu3P and the subsequent conversion to Cu3PS4 nanoparticle clusters

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

    Sheets, Erik J.; Stach, Eric A.; Yang, Wei -Chang; Balow, Robert B.; Wang, Yunjie; Walker, Bryce C.; Agrawal, Rakesh

    2015-09-20

    The search for alternative earth abundant semiconducting nanocrystals for sustainable energy applications has brought forth the need for nanoscale syntheses beyond bulk synthesis routes. Of particular interest are metal phosphides and derivative I-V-VI chalcogenides including copper phosphide (Cu3P) and copper thiophosphate (Cu3PS4). Herein, we report a one-pot, solution-based synthesis of Cu3P nanocrystals utilizing an in-situ phosphorus source: phosphorus pentasulfide (P2S5) in trioctylphosphine (TOP). By injecting this phosphorus source into a copper solution in oleylamine (OLA), uniform and size controlled Cu3P nanocrystals with a phosphorous-rich surface are synthesized. The subsequent reaction of the Cu3P nanocrystals with decomposing thiourea forms nanoscale Cu3PS4more » particles having p-type conductivity and an effective optical band gap of 2.36 eV.« less

  12. Cu 2 S 3 complex on Cu(111) as a candidate for mass transport...

    Office of Scientific and Technical Information (OSTI)

    Cu 2 S 3 complex on Cu(111) as a candidate for mass transport enhancement Citation Details In-Document Search Title: Cu 2 S 3 complex on Cu(111) as a candidate for mass transport ...

  13. Practical Thermal Evaluation Methods For HAC Fire Analysis In Type B Radiaoactive Material (RAM) Packages

    SciTech Connect (OSTI)

    Abramczyk, Glenn; Hensel, Stephen J; Gupta, Narendra K.

    2013-03-28

    Title 10 of the United States Code of Federal Regulations Part 71 for the Nuclear Regulatory Commission (10 CFR Part 71.73) requires that Type B radioactive material (RAM) packages satisfy certain Hypothetical Accident Conditions (HAC) thermal design requirements to ensure package safety during accidental fire conditions. Compliance with thermal design requirements can be met by prototype tests, analyses only or a combination of tests and analyses. Normally, it is impractical to meet all the HAC using tests only and the analytical methods are too complex due to the multi-physics non-linear nature of the fire event. Therefore, a combination of tests and thermal analyses methods using commercial heat transfer software are used to meet the necessary design requirements. The authors, along with his other colleagues at Savannah River National Laboratory in Aiken, SC, USA, have successfully used this 'tests and analyses' approach in the design and certification of several United States' DOE/NNSA certified packages, e.g. 9975, 9977, 9978, 9979, H1700, and Bulk Tritium Shipping Package (BTSP). This paper will describe these methods and it is hoped that the RAM Type B package designers and analysts can use them for their applications.

  14. cu | OpenEI Community

    Open Energy Info (EERE)

    ancient building system architect biomimicry building technology cooling cu daylight design problem energy use engineer fred andreas geothermal green building heat transfer...

  15. Effect of CNTs dispersion on the thermal and mechanical properties of Cu/CNTs nanocomposites

    SciTech Connect (OSTI)

    Muhsan, Ali Samer E-mail: faizahmad@petronas.com.my; Ahmad, Faiz E-mail: faizahmad@petronas.com.my; Yusoff, Puteri Sri Melor Megat Bt; Mohamed, Norani M.; Raza, M. Rafi

    2014-10-24

    Modified technique of metal injection molding (MIM) was used to fabricate multiwalled carbon nanotube (CNT) reinforced Cu nanocomposites. The effect of adding different amount of CNTs (0-10 vol.%) on the thermal and mechanical behaviour of the fabricated nanocomposites is presented. Scanning electron microscope analysis revealed homogenous dispersion of CNTs in Cu matrices at different CNTs contents. The experimentally measured thermal conductivities of Cu/CNTs nanocomposites showed extraordinary increase (76% higher than pure sintered Cu) with addition of 10 vol.% CNTs. As compared to the pure sintered Cu, increase in modulus of elasticity (Young's modulus) of Cu/CNTs nanocomposites sintered at 1050°C for 2.5 h was measured to be 48%. However, in case of 7.5 vol.% CNTs, Young's modulus was increased significantly about 51% compared to that of pure sintered Cu.

  16. Flow Characteristics Analysis of Widows' Creek Type Control Valve for Steam Turbine Control

    SciTech Connect (OSTI)

    Yoo, Yong H.; Sohn, Myoung S.; Suh, Kune Y.

    2006-07-01

    The steam turbine converts the kinetic energy of steam to mechanical energy of rotor blades in the power conversion system of fossil and nuclear power plants. The electric output from the generator of which the rotor is coupled with that of the steam turbine depends on the rotation velocity of the steam turbine bucket. The rotation velocity is proportional to the mass flow rate of steam entering the steam turbine through valves and nozzles. Thus, it is very important to control the steam mass flow rate for the load following operation of power plants. Among various valves that control the steam turbine, the control valve is most significant. The steam flow rate is determined by the area formed by the stem disk and the seat of the control valve. While the ideal control valve linearly controls the steam mass flow rate with its stem lift, the real control valve has various flow characteristic curves pursuant to the stem lift type. Thus, flow characteristic curves are needed to precisely design the control valves manufactured for the operating conditions of nuclear power plants. OMEGA (Optimized Multidimensional Experiment Geometric Apparatus) was built to experimentally study the flow characteristics of steam flowing inside the control valve. The Widows' Creek type control valve was selected for reference. Air was selected as the working fluid in the OMEGA loop to exclude the condensation effect in this simplified approach. Flow characteristic curves were plotted by calculating the ratio of the measured mass flow rate versus the theoretical mass flow rate of the air. The flow characteristic curves are expected to be utilized to accurately design and operate the control valve for fossil as well as nuclear plants. (authors)

  17. Seismic analysis of a large pool-type LMR (liquid metal reactor)

    SciTech Connect (OSTI)

    Wang, C.Y.; Gvildys, J.

    1989-01-01

    This paper describes the seismic study of a 450-MWe liquid metal reactor (LMR) under 0.3-g SSE ground excitation. Two calculations were performed using the new design configuration. They deal with the seismic response of the reactor vessel, the guard vessel and support skirt, respectively. In both calculations, the stress and displacement fields at important locations of those components are investigated. Assessments are also made on the elastic and inelastic structural capabilities for other beyond-design basis seismic loads. Results of the reactor vessel analysis reveal that the maximum equivalent stress is only about half of the material yield stress. For the guard vessel and support skirt, the stress level is very small. Regarding the analysis if inelastic structural capability, solutions of the Newmark-Hall ductility modification method show that the reactor vessel can withstand seismics with ground ZPAs ranging from 1.015 to 1.31 g, which corresponds to 3.37 to 4.37 times the basic 0.3-g SSE. Thus, the reactor vessel and guard vessel are strong enough to resist seismic loads. 4 refs., 10 figs., 5 tabs.

  18. Reconciliation of local and long range tilt correlations in underdoped La??xBaxCuO? (0 ? x ? 0.155)

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

    Bozin, Emil S.; Zhong, Ruidan; Knox, Kevin R.; Gu, Genda; Hill, John P.; Tranquada, John M.; Billinge, Simon J. L.

    2015-02-26

    A long standing puzzle regarding the disparity of local and long range CuO? octahedral tilt correlations in the underdoped regime of La??xBaxCuO? is addressed by utilizing complementary neutron powder diffraction and inelastic neutron scattering (INS) approaches. Long-range and static CuO? tilt order with orthogonally inequivalent Cu-O bonds in the CuO? planes in the low temperature tetragonal (LTT) phase is succeeded on warming through the low-temperature transition by one with orthogonally equivalent bonds in the low temperature orthorhombic (LTO) phase. In contrast, the signatures of LTT-type tilts in the instantaneous local atomic structure persist on heating throughout the LTO crystallographic phasemoreon the nanoscale, although becoming weaker as temperature increases. Analysis of the INS spectra for the x = 1/8 composition reveals the dynamic nature of the LTT-like tilt fluctuations within the LTO phase and their 3D character. The doping dependence of relevant structural parameters indicates that the magnitude of the Cu-O bond anisotropy has a maximum at x = 1/8 doping where bulk superconductivity is most strongly suppressed, suggesting that the structural anisotropy might be influenced by electron-phonon coupling and the particular stability of the stripe-ordered phase at this composition. The bond-length modulation that pins stripe order is found to be remarkably subtle, with no anomalous bond length disorder at low temperature, placing an upper limit on any in-plane Cu-O bondlength anisotropy. The results further reveal that although appreciable octahedral tilts persist through the high-temperature transition and into the high temperature tetragonal (HTT) phase, there is no significant preference between different tilt directions in the HTT regime. This study also exemplifies the importance of a systematic approach using complementary techniques when investigating systems exhibiting a large degree of complexity and subtle structural responses.less

  19. Reconciliation of local and long-range tilt correlations in underdoped La2-xBaxCuO4(0 ≤ x ≤ 0.155)

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

    Bozin, Emil S.; Zhong, Ruidan; Knox, Kevin R.; Gu, Genda; Hill, John P.; Tranquada, John M.; Billinge, Simon J. L.

    2015-02-26

    A long standing puzzle regarding the disparity of local and long range CuO₆ octahedral tilt correlations in the underdoped regime of La₂₋xBaxCuO₄ is addressed by utilizing complementary neutron powder diffraction and inelastic neutron scattering (INS) approaches. Long-range and static CuO₆ tilt order with orthogonally inequivalent Cu-O bonds in the CuO₂ planes in the low temperature tetragonal (LTT) phase is succeeded on warming through the low-temperature transition by one with orthogonally equivalent bonds in the low temperature orthorhombic (LTO) phase. In contrast, the signatures of LTT-type tilts in the instantaneous local atomic structure persist on heating throughout the LTO crystallographic phasemore » on the nanoscale, although becoming weaker as temperature increases. Analysis of the INS spectra for the x = 1/8 composition reveals the dynamic nature of the LTT-like tilt fluctuations within the LTO phase and their 3D character. The doping dependence of relevant structural parameters indicates that the magnitude of the Cu-O bond anisotropy has a maximum at x = 1/8 doping where bulk superconductivity is most strongly suppressed, suggesting that the structural anisotropy might be influenced by electron-phonon coupling and the particular stability of the stripe-ordered phase at this composition. The bond-length modulation that pins stripe order is found to be remarkably subtle, with no anomalous bond length disorder at low temperature, placing an upper limit on any in-plane Cu-O bondlength anisotropy. The results further reveal that although appreciable octahedral tilts persist through the high-temperature transition and into the high temperature tetragonal (HTT) phase, there is no significant preference between different tilt directions in the HTT regime. As a result, this study also exemplifies the importance of a systematic approach using complementary techniques when investigating systems exhibiting a large degree of complexity and subtle

  20. EARLY OBSERVATIONS AND ANALYSIS OF THE TYPE Ia SN 2014J IN M82

    SciTech Connect (OSTI)

    Marion, G. H.; Vinkó, J.; Sand, D. J.; Hsiao, E. Y.; Banerjee, D. P. K.; Joshi, V.; Venkataraman, V.; Ashok, N. M.; Valenti, S.; Howell, D. A.; Stritzinger, M. D.; Amanullah, R.; Johansson, J.; Binzel, R. P.; Bochanski, J. J.; Bryngelson, G. L.; Burns, C. R.; Drozdov, D.; Fieber-Beyer, S. K.; Graham, M. L.; and others

    2015-01-01

    We present optical and near infrared (NIR) observations of the nearby Type Ia SN 2014J. Seventeen optical and 23 NIR spectra were obtained from 10 days before (–10d) to 10 days after (+10d) the time of maximum B-band brightness. The relative strengths of absorption features and their patterns of development can be compared at one day intervals throughout most of this period. Carbon is not detected in the optical spectra, but we identify C I λ1.0693 in the NIR spectra. Mg II lines with high oscillator strengths have higher initial velocities than other Mg II lines. We show that the velocity differences can be explained by differences in optical depths due to oscillator strengths. The spectra of SN 2014J show that it is a normal SN Ia, but many parameters are near the boundaries between normal and high-velocity subclasses. The velocities for O I, Mg II, Si II, S II, Ca II, and Fe II suggest that SN 2014J has a layered structure with little or no mixing. That result is consistent with the delayed detonation explosion models. We also report photometric observations, obtained from –10d to +29d, in the UBVRIJH and K{sub s} bands. The template fitting package SNooPy is used to interpret the light curves and to derive photometric parameters. Using R{sub V} = 1.46, which is consistent with previous studies, SNooPy finds that A{sub V} = 1.80 for E(B – V){sub host} = 1.23 ± 0.06 mag. The maximum B-band brightness of –19.19 ± 0.10 mag was reached on February 1.74 UT ± 0.13 days and the supernova has a decline parameter, Δm {sub 15}, of 1.12 ± 0.02 mag.

  1. Million Cu. Feet Percent of National Total

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

    0 New Hampshire - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle ...

  2. Science DMZ Implemented at CU Boulder

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

    CU Science Engagement Move your data Programs & Workshops Science Requirements Reviews Case Studies OSCARS Case Studies Science DMZ Case Studies Science DMZ @ UF Science DMZ @ CU ...

  3. Safety analysis report for packaging for the Idaho National Engineering Laboratory TRA Type 1 Shipping Container and TRA Type 2 Shipping Capsule

    SciTech Connect (OSTI)

    Havlovick, B.J.

    1992-07-27

    The TRA Type I Shipping Container and TRA Type II Shipping Capsule were designed and fabricated at the Idaho National Engineering Laboratory as special form containers for the transport of non-fissile radioisotopes and fissile radioisotopes in exempt quantities. The Type I container measures 0.75 in. outside diameter and 3.000 in long. The Type II capsule is 0.495 in. outside diameter 2.000 in. long. The container and capsule were tested and evaluated to determine their compliance with Title 49 Code of Federal Regulations 173, which governs packages for special form radioactive material. This report is based upon those tests and evaluations. The results of those tests and evaluations demonstrate the container and capsule are in full compliance with the special form shipping container regulations of 49 CFR 173.

  4. Modified Ni-Cu catalysts for ethanol steam reforming

    SciTech Connect (OSTI)

    Dan, M.; Mihet, M.; Almasan, V.; Borodi, G.; Katona, G.; Muresan, L.; Lazar, M. D.

    2013-11-13

    Three Ni-Cu catalysts, having different Cu content, supported on γ-alumina were synthesized by wet co-impregnation method, characterized and tested in the ethanol steam reforming (ESR) reaction. The catalysts were characterized for determination of: total surface area and porosity (N{sub 2} adsorption - desorption using BET and Dollimer Heal methods), Ni surface area (hydrogen chemisorption), crystallinity and Ni crystallites size (X-Ray Diffraction), type of catalytic active centers (Hydrogen Temperature Programmed Reduction). Total surface area and Ni crystallites size are not significantly influenced by the addition of Cu, while Ni surface area is drastically diminished by increasing of Cu concentration. Steam reforming experiments were performed at atmospheric pressure, temperature range 150-350°C, and ethanol - water molar ration of 1 at 30, using Ar as carrier gas. Ethanol conversion and hydrogen production increase by the addition of Cu. At 350°C there is a direct connection between hydrogen production and Cu concentration. Catalysts deactivation in 24h time on stream was studied by Transmission Electron Microscopy (TEM) and temperature-programmed reduction (TPR) on used catalysts. Coke deposition was observed at all studied temperatures; at 150°C amorphous carbon was evidenced, while at 350°C crystalline, filamentous carbon is formed.

  5. Statistical analysis of the dynamics of secondary electrons in the flare of a high-voltage beam-type discharge

    SciTech Connect (OSTI)

    Demkin, V. P.; Mel'nichuk, S. V.

    2014-09-15

    In the present work, results of investigations into the dynamics of secondary electrons with helium atoms in the presence of the reverse electric field arising in the flare of a high-voltage pulsed beam-type discharge and leading to degradation of the primary electron beam are presented. The electric field in the discharge of this type at moderate pressures can reach several hundred V/cm and leads to considerable changes in the kinetics of secondary electrons created in the process of propagation of the electron beam generated in the accelerating gap with a grid anode. Moving in the accelerating electric field toward the anode, secondary electrons create the so-called compensating current to the anode. The character of electron motion and the compensating current itself are determined by the ratio of the field strength to the concentration of atoms (E/n). The energy and angular spectra of secondary electrons are calculated by the Monte Carlo method for different ratios E/n of the electric field strength to the helium atom concentration. The motion of secondary electrons with threshold energy is studied for inelastic collisions of helium atoms and differential analysis is carried out of the collisional processes causing energy losses of electrons in helium for different E/n values. The mechanism of creation and accumulation of slow electrons as a result of inelastic collisions of secondary electrons with helium atoms and selective population of metastable states of helium atoms is considered. It is demonstrated that in a wide range of E/n values the motion of secondary electrons in the beam-type discharge flare has the character of drift. At E/n values characteristic for the discharge of the given type, the drift velocity of these electrons is calculated and compared with the available experimental data.

  6. Crystallization of Zr2PdxCu(1-x) and Zr2NixCu(1-x) Metallic Glass

    SciTech Connect (OSTI)

    Min Xu

    2008-08-18

    One interesting aspect of rretallic glasses is the numerous instances of the deviation of the phase selection from the amorphous state to thermodynamically stable phases during the crystallization process. Their devitrification pathways allow us to study the relationship between the original amorphous structure and their crystalline counter parts. Among the various factors of phase selections, size and electronic effects have been most extensively studied. Elucidating the phase selection process of a glassy alloy will be helpful to fill in the puzzle of the changes from disordered to ordered structures. In this thesis, Two model Zr{sub 2}Pd{sub x}Cu{sub (1-x)} and Zr{sub 2}Ni{sub x}Cu{sub (1-x)} (x = 0, 0.25, 0.5, 0.75 and 1) glassy systems were investigated since: (1) All of the samples can be made into a homogenous metallic glass; (2) The atomic radii differ from Pd to Cu is by 11%, while Ni has nearly the identical atomic size compare to Cu. Moreover, Pd and Ni differ by only one valence electron from Cu. Thus, these systems are ideal to test the idea of the effects of electronic structure and size factors; (3) The small number of components in these pseudo binary systems readily lend themselves to theoretical modeling. Using high temperature X-ray diffraction {HTXRD) and thermal analysis, topological, size, electronic, bond and chemical distribution factors on crystallization selections in Zr{sub 2}Pd{sub x}Cu{sub (1-x)} and Zr{sub 2}Ni{sub x}Cu{sub (1-x)} metallic glass have been explored. All Zr{sub 2}Pd{sub x}Cu{sub (1-x)} compositions share the same Cu11b phase with different pathways of meta-stable, icosahedral quasicrystalline phase (i-phase), and C16 phase formations. The quasicrystal phase formation is topologically related to the increasing icosahedral short range order (SRO) with Pd content in Zr{sub 2}Pd{sub x}Cu{sub (1·x)} system. Meta-stable C16 phase is competitive with C11b phase at x = 0.5, which is dominated by electronic structure rather than

  7. Thermodynamic analysis of binary Fe{sub 85}B{sub 15} to quinary Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloys for primary crystallizations of α-Fe in nanocrystalline soft magnetic alloys

    SciTech Connect (OSTI)

    Takeuchi, A. Zhang, Y.; Takenaka, K.; Makino, A.

    2015-05-07

    Fe-based Fe{sub 85}B{sub 15}, Fe{sub 84}B{sub 15}Cu{sub 1}, Fe{sub 82}Si{sub 2}B{sub 15}Cu{sub 1}, Fe{sub 85}Si{sub 2}B{sub 12}Cu{sub 1}, and Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} (NANOMET{sup ®}) alloys were experimental and computational analyzed to clarify the features of NANOMET that exhibits high saturation magnetic flux density (B{sub s}) nearly 1.9 T and low core loss than conventional nanocrystalline soft magnetic alloys. The X-ray diffraction analysis for ribbon specimens produced experimentally by melt spinning from melts revealed that the samples were almost formed into an amorphous single phase. Then, the as-quenched samples were analyzed with differential scanning calorimeter (DSC) experimentally for exothermic enthalpies of the primary and secondary crystallizations (ΔH{sub x1} and ΔH{sub x2}) and their crystallization temperatures (T{sub x1} and T{sub x2}), respectively. The ratio ΔH{sub x1}/ΔH{sub x2} measured by DSC experimentally tended to be extremely high for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy, and this tendency was reproduced by the analysis with commercial software, Thermo-Calc, with database for Fe-based alloys, TCFE7 for Gibbs free energy (G) assessments. The calculations exhibit that a volume fraction (V{sub f}) of α-Fe tends to increase from 0.56 for the Fe{sub 85}B{sub 15} to 0.75 for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy. The computational analysis of the alloys for G of α-Fe and amorphous phases (G{sub α-Fe} and G{sub amor}) shows that a relationship G{sub α-Fe} ∼ G{sub amor} holds for the Fe{sub 85}Si{sub 2}B{sub 12}Cu{sub 1}, whereas G{sub α-Fe} < G{sub amor} for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy at T{sub x1} and that an extremely high V{sub f} = 0.75 was achieved for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy by including 2.8 at. % Si and 4.5 at. % P into α-Fe. These computational results indicate that the Fe{sub 85}Si{sub 2}B

  8. Route Type Determination Analysis

    SciTech Connect (OSTI)

    Brett Stone

    2011-09-01

    According to the 2009 National Household Travel Survey 44.4 percent of all miles travelled by Americans in 2009 (including airplanes, trains, boats, golf carts, subways, bikes, etc.) were travelled in cars. If vans, SUV's and pickup trucks are included, that level increases to 86 percent. We do a lot of travelling on the road in personal vehicles - it's important to be able to understand how we get there and how to rate the fuel economy of our trips. An essential part of this is knowing how to decide if a trip is a city or highway trip.

  9. [Purification of {sup 67}Cu]. Progress report

    SciTech Connect (OSTI)

    DeNardo, S.J.

    1994-09-01

    This report documents progress made in several areas of research and describes results which have not yet been published. These areas include: Purification of {sup 67}Cu; Macrocyclic chelates for targeted therapy; Studies of biologic activation associated with molecular receptor increase and tumor response in ChL6/L6 protocol patients; Lym-1 single chain genetically engineered molecules; Analysis of molecular genetic coded messages to enhance tumor response; Human dosimetry and therapeutic human use radiopharmaceuticals; studies in phantoms; Quantitative SPECT; Preclinical studies; and Clinical studies.

  10. Electrical properties of single CuO nanowires for device fabrication: Diodes and field effect transistors

    SciTech Connect (OSTI)

    Florica, Camelia; Costas, Andreea; Boni, Andra Georgia; Negrea, Raluca; Preda, Nicoleta E-mail: encu@infim.ro; Pintilie, Lucian; Enculescu, Ionut E-mail: encu@infim.ro; Ion, Lucian

    2015-06-01

    High aspect ratio CuO nanowires are synthesized by a simple and scalable method, thermal oxidation in air. The structural, morphological, optical, and electrical properties of the semiconducting nanowires were studied. Au-Ti/CuO nanowire and Pt/CuO nanowire electrical contacts were investigated. A dominant Schottky mechanism was evidenced in the Au-Ti/CuO nanowire junction and an ohmic behavior was observed for the Pt/CuO nanowire junction. The Pt/CuO nanowire/Pt structure allows the measurements of the intrinsic transport properties of the single CuO nanowires. It was found that an activation mechanism describes the behavior at higher temperatures, while a nearest neighbor hopping transport mechanism is characteristic at low temperatures. This was also confirmed by four-probe resistivity measurements on the single CuO nanowires. By changing the metal/semiconductor interface, devices such as Schottky diodes and field effect transistors based on single CuO p-type nanowire semiconductor channel are obtained. These devices are suitable for being used in various electronic circuits where their size related properties can be exploited.

  11. Synthesis, crystal and electronic structure, and physical properties of the new lanthanum copper telluride La{sub 3}Cu{sub 5}Te{sub 7}

    SciTech Connect (OSTI)

    Zelinska, Mariya; Assoud, Abdeljalil [Department of Chemistry, University of Waterloo, Waterloo, ON, Canada N2L 3G1 (Canada); Kleinke, Holger, E-mail: kleinke@uwaterloo.c [Department of Chemistry, University of Waterloo, Waterloo, ON, Canada N2L 3G1 (Canada)

    2011-03-15

    The new lanthanum copper telluride La{sub 3}Cu{sub 5-x}Te{sub 7} has been obtained by annealing the elements at 1073 K. Single-crystal X-ray diffraction studies revealed that the title compound crystallizes in a new structure type, space group Pnma (no. 62) with lattice dimensions of a=8.2326(3) A, b=25.9466(9) A, c=7.3402(3) A, V=1567.9(1) A{sup 3}, Z=4 for La{sub 3}Cu{sub 4.86(4)}Te{sub 7}. The structure of La{sub 3}Cu{sub 5-x}Te{sub 7} is remarkably complex. The Cu and Te atoms build up a three-dimensional covalent network. The coordination polyhedra include trigonal LaTe{sub 6} prisms, capped trigonal LaTe{sub 7} prisms, CuTe{sub 4} tetrahedra, and CuTe{sub 3} pyramids. All Cu sites exhibit deficiencies of various extents. Electrical property measurements on a sintered pellet of La{sub 3}Cu{sub 4.86}Te{sub 7} indicate that it is a p-type semiconductor in accordance with the electronic structure calculations. -- Graphical abstract: Oligomeric unit comprising interconnected CuTe{sub 3} pyramids and CuTe{sub 4} tetrahedra. Display Omitted Research highlights: {yields} La{sub 3}Cu{sub 5-x}Te{sub 7} adopts a new structure type. {yields} All Cu sites exhibit deficiencies of various extents. {yields} The coordination polyhedra include trigonal LaTe{sub 6} prisms, capped trigonal LaTe{sub 7} prisms, CuTe{sub 4} tetrahedra and CuTe{sub 3} pyramids. {yields} La{sub 3}Cu{sub 5-x}Te{sub 7} is a p-type semiconductor.

  12. In situ X-ray absorption spectroscopic investigation of the electrochemical conversion reactions of CuF{sub 2}-MoO{sub 3} nanocomposite

    SciTech Connect (OSTI)

    Mansour, A.N.; Badway, F.; Yoon, W.-S.; Chung, K.Y.; Amatucci, G.G.

    2010-12-15

    We have used X-ray absorption spectroscopy at the Cu K-edge to investigate the electrochemical conversion reaction of 20 nm size 85 wt% CuF{sub 2}-15 wt% MoO{sub 3} nanocomposite under in situ conditions. The nanocomposite was prepared by high energy milling. Upon discharge, the lithiation reaction with the nanocomposite resulted in the formation of nanophase metallic Cu, which is consistent with the conversion of CuF{sub 2} into Cu and LiF. Based on XANES and Fourier transforms of EXAFS spectra, we show that the discharge process proceeded via the formation of highly dispersed Cu particles. Based on the coordination number of the first shell of Cu, the average size of the Cu particles was estimated to be in the 1-3 nm range in the fully discharged state. -- Graphical Abstract: Comparison of Fourier transform of in situ Cu K-edge EXAFS spectra for a fully discharged CuF{sub 2{center_dot}}MoO{sub 3} nanocomposite in a nonaqueous Li cell with that of a Cu foil. Quantitative analysis of the Fourier transforms confirmed that the discharge mechanism for the nanocomposite proceeds via the reaction CuF{sub 2}+2Li{yields}Cu+2LiF. The discharge product of Cu is in the form of highly dispersed nanoparticles. Display Omitted

  13. Submillimeter and microwave residual losses in epitaxial films of Y-Ba-Cu-O and Tl-Ca-Ba-Cu-O

    SciTech Connect (OSTI)

    Miller, D.; Richards, P.L.; Garrison, S.M.; Newman, N.; Eom, C.B.; Geballe, T.H.; Etemad, S.; Inam, A.; Venkatesan, T.; Martens, J.S.; Lee, W.Y.; Bourne, L.C.

    1992-03-01

    We have used a novel bolometric technique and a resonant technique to obtain accurate submillimeter and microwave residual loss data for epitaxial thin films of YBa{sub 2}Cu{sub 3}O{sub 7}, Tl{sub 2}Ca{sub 2}Ba{sub 2}Cu{sub 3}O{sub 10} and Tl{sub 2}CaBa{sub 2}Cu{sub 2}O{sub 8}. For all films we obtain good agreement between the submillimeter and microwave data, with the residual losses in both the Y-Ba-Cu-O and Tl-Ca-Ba-Cu-O films scaling approximately as frequency squared below {approximately} 1 THz. We are able to fit the losses in the Y-Ba-Cu-O films to a weakly coupled grain model for the a-b plane conductivity, in good agreement with results from a Kramers-Kronig analysis of the loss data. We observe strong phonon structure in the Tl-Ca-Ba-Cu-O films for frequencies between 2 and 21 THz, and are unable to fit these losses to the simple weakly coupled grain model. This is in strong contrast to the case for other high {Tc} superconductors such as YBa{sub 2}Cu{sub 3}O{sub 7}, where phonon structure observed in ceramic samples is absent in epitaxial oriented films and crystals because of the electronic screening due to the high conductivity of the a-b planes.

  14. Structural, optical and ethanol sensing properties of Cu-doped SnO{sub 2} nanowires

    SciTech Connect (OSTI)

    Johari, Anima Sharma, Manish; Johari, Anoopshi; Bhatnagar, M. C.

    2014-04-24

    In present work, one-dimensional nanostructure of Cu-doped Tin oxide (SnO{sub 2}) was synthesized by using thermal evaporation method in a tubular furnace under Nitrogen (N{sub 2}) ambience. The growth was carried out at atmospheric pressure. SEM and TEM images reveal the growth of wire-like nanostructures of Cu-doped SnO{sub 2} on Si substrate. The XRD analysis confirms that the synthesized SnO{sub 2} nanowires have tetragonal rutile structure with polycrystalline nature and X-ray diffraction pattern also showed that Cu gets incorporated into the SnO{sub 2} lattice. EDX spectra confirm the doping of Cu into SnO{sub 2} nanowires and atomic fraction of Cu in nanowires is ∼ 0.5 at%. The Vapor Liquid Solid (VLS) growth mechanism for Cu-doped SnO{sub 2} nanowires was also confirmed by EDX spectra. The optical properties of as grown Cu-doped SnO{sub 2} nanowires were studied by using UV-vis spectra which concludes the band gap of about 3.7 eV. As synthesized single Cu-doped SnO{sub 2} nanowire based gas sensor exhibit relatively good performance to ethanol gas. This sensing behaviour offers a suitable application of the Cu-doped SnO{sub 2} nanowire sensor for detection of ethanol gas.

  15. Array of Cu{sub 2}O nano-columns fabricated by oblique angle sputter deposition and their application in photo-assisted proton reduction

    SciTech Connect (OSTI)

    Swain, S.; Chatterjee, S.; Chaudhary, Y. S.; Thakur, I.; Kulkarni, N. A.; Ayyub, P.

    2015-01-14

    Nano-columnar arrays of Cu{sub 2}O were grown by the oblique angle sputter deposition technique based on the self-shadowing principle. The as-grown nano-columnar samples are oriented along (111) direction, and they are highly transmitting in the visible range with a low reflectance. In this work, we show the photo-electrochemical activity of nano-columnar array of Cu{sub 2}O, which shows a higher (?25%) photocurrent density and a two-fold enhancement in the incident-to-photon conversion efficiency as compared to continuous thin film of Cu{sub 2}O in photo-assisted proton reduction type reaction. The improvement in electrochemical activity of nano-columnar Cu{sub 2}O photocathode can be attributed to the change in morphology, crystal structure, as well as electrical property, which shows a higher degree of band bending, increased donor carrier (e?) density and lower width of space charge region as revealed by capacitance measurements and Mott-Schottky analysis.

  16. Reconciliation of local and long-range tilt correlations in underdoped La2-xBaxCuO4(0 ? x ? 0.155)

    SciTech Connect (OSTI)

    Bozin, Emil S.; Zhong, Ruidan; Knox, Kevin R.; Gu, Genda; Hill, John P.; Tranquada, John M.; Billinge, Simon J. L.

    2015-02-26

    A long standing puzzle regarding the disparity of local and long range CuO? octahedral tilt correlations in the underdoped regime of La??xBaxCuO? is addressed by utilizing complementary neutron powder diffraction and inelastic neutron scattering (INS) approaches. Long-range and static CuO? tilt order with orthogonally inequivalent Cu-O bonds in the CuO? planes in the low temperature tetragonal (LTT) phase is succeeded on warming through the low-temperature transition by one with orthogonally equivalent bonds in the low temperature orthorhombic (LTO) phase. In contrast, the signatures of LTT-type tilts in the instantaneous local atomic structure persist on heating throughout the LTO crystallographic phase on the nanoscale, although becoming weaker as temperature increases. Analysis of the INS spectra for the x = 1/8 composition reveals the dynamic nature of the LTT-like tilt fluctuations within the LTO phase and their 3D character. The doping dependence of relevant structural parameters indicates that the magnitude of the Cu-O bond anisotropy has a maximum at x = 1/8 doping where bulk superconductivity is most strongly suppressed, suggesting that the structural anisotropy might be influenced by electron-phonon coupling and the particular stability of the stripe-ordered phase at this composition. The bond-length modulation that pins stripe order is found to be remarkably subtle, with no anomalous bond length disorder at low temperature, placing an upper limit on any in-plane Cu-O bondlength anisotropy. The results further reveal that although appreciable octahedral tilts persist through the high-temperature transition and into the high temperature tetragonal (HTT) phase, there is no significant preference between different tilt directions in the HTT regime. As a result, this study also exemplifies the importance of a systematic approach using complementary techniques when investigating systems exhibiting a large degree of complexity and subtle

  17. Reconciliation of local and long-range tilt correlations in underdoped La2-xBaxCuO4(0 ≤ x ≤ 0.155)

    SciTech Connect (OSTI)

    Bozin, Emil S.; Zhong, Ruidan; Knox, Kevin R.; Gu, Genda; Hill, John P.; Tranquada, John M.; Billinge, Simon J. L.

    2015-02-26

    A long standing puzzle regarding the disparity of local and long range CuO₆ octahedral tilt correlations in the underdoped regime of La₂₋xBaxCuO₄ is addressed by utilizing complementary neutron powder diffraction and inelastic neutron scattering (INS) approaches. Long-range and static CuO₆ tilt order with orthogonally inequivalent Cu-O bonds in the CuO₂ planes in the low temperature tetragonal (LTT) phase is succeeded on warming through the low-temperature transition by one with orthogonally equivalent bonds in the low temperature orthorhombic (LTO) phase. In contrast, the signatures of LTT-type tilts in the instantaneous local atomic structure persist on heating throughout the LTO crystallographic phase on the nanoscale, although becoming weaker as temperature increases. Analysis of the INS spectra for the x = 1/8 composition reveals the dynamic nature of the LTT-like tilt fluctuations within the LTO phase and their 3D character. The doping dependence of relevant structural parameters indicates that the magnitude of the Cu-O bond anisotropy has a maximum at x = 1/8 doping where bulk superconductivity is most strongly suppressed, suggesting that the structural anisotropy might be influenced by electron-phonon coupling and the particular stability of the stripe-ordered phase at this composition. The bond-length modulation that pins stripe order is found to be remarkably subtle, with no anomalous bond length disorder at low temperature, placing an upper limit on any in-plane Cu-O bondlength anisotropy. The results further reveal that although appreciable octahedral tilts persist through the high-temperature transition and into the high temperature tetragonal (HTT) phase, there is no significant preference between different tilt directions in the HTT regime. As a result, this study also exemplifies the importance of a systematic approach using complementary techniques when investigating systems exhibiting a large degree of complexity

  18. Facility Type!

    Office of Legacy Management (LM)

    ITY: --&L~ ----------- srct-r~ -----------~------~------- if yee, date contacted ------------- cl Facility Type! i I 0 Theoretical Studies Cl Sample 84 Analysis ] Production 1 Diepasal/Storage 'YPE OF CONTRACT .--------------- 1 Prime J Subcontract&- 1 Purchase Order rl i '1 ! Other information (i.e., ---------~---~--~-------- :ontrait/Pirchaee Order # , I C -qXlJ- --~-------~~-------~~~~~~ I I ~~~---~~~~~~~T~~~ FONTRACTING PERIODi IWNERSHIP: ,I 1 AECIMED AECMED GOVT GOUT &NTtiAC+OR

  19. Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study

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

    Zhang, Y.; Mendelev, M. I.; Wang, C. Z.; Ott, R.; Zhang, F.; Besser, M. F.; Ho, K. M.; Kramer, M. J.

    2014-11-03

    Despite numerous studies on the atomic structures of Cu-Zr metallic glasses (MGs), their inherent structural ordering, e.g., medium-range order (MRO), remains difficult to describe. Specifically lacking is an understanding of how the MRO responds to deformation and the associated changes in atomic mobility. In this paper, we focus on the impact of deformation on MRO and associated effect on diffusion in a well-relaxed Cu64.5Zr35.5 MG by molecular dynamics simulations. The Cu-Zr MG exhibits a larger elastic limit of 0.035 and a yield stress of 3.5 GPa. The cluster alignment method was employed to characterize the icosahedral short-range order (ISRO) andmore » Bergman-type medium-range order (BMRO) in the models upon loading and unloading. From this analysis, we find the disruption of both ISRO and BMRO occurs as the strain reaches about 0.02, well below the elastic limit. Within the elastic limit, the total fractions of ISRO or BMRO can be fully recovered upon unloading. The diffusivity increases six to eight times in regions undergoing plastic deformation, which is due to the dramatic disruption of the ISRO and BMRO. As a result, by mapping the spatial distributions of the mobile atoms, we demonstrate the increase in atomic mobility is due to the extended regions of disrupted ISRO and more importantly BMRO.« less

  20. Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study

    SciTech Connect (OSTI)

    Zhang, Y.; Mendelev, M. I.; Wang, C. Z.; Ott, R.; Zhang, F.; Besser, M. F.; Ho, K. M.; Kramer, M. J.

    2014-11-03

    Despite numerous studies on the atomic structures of Cu-Zr metallic glasses (MGs), their inherent structural ordering, e.g., medium-range order (MRO), remains difficult to describe. Specifically lacking is an understanding of how the MRO responds to deformation and the associated changes in atomic mobility. In this paper, we focus on the impact of deformation on MRO and associated effect on diffusion in a well-relaxed Cu64.5Zr35.5 MG by molecular dynamics simulations. The Cu-Zr MG exhibits a larger elastic limit of 0.035 and a yield stress of 3.5 GPa. The cluster alignment method was employed to characterize the icosahedral short-range order (ISRO) and Bergman-type medium-range order (BMRO) in the models upon loading and unloading. From this analysis, we find the disruption of both ISRO and BMRO occurs as the strain reaches about 0.02, well below the elastic limit. Within the elastic limit, the total fractions of ISRO or BMRO can be fully recovered upon unloading. The diffusivity increases six to eight times in regions undergoing plastic deformation, which is due to the dramatic disruption of the ISRO and BMRO. As a result, by mapping the spatial distributions of the mobile atoms, we demonstrate the increase in atomic mobility is due to the extended regions of disrupted ISRO and more importantly BMRO.

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

    SciTech Connect (OSTI)

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

    2005-12-15

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

  2. Surface segregation as a means of gettering Cu in liquid-phase-epitaxy silicon thin layers grown from Al-Cu-Si solutions

    SciTech Connect (OSTI)

    Wang, T.H.; Ciszek, T.F.; Reedy, R.; Asher, S.; King, D.

    1996-05-01

    The authors demonstrate that, by using the natural surface segregation phenomenon, Cu can be gettered to the surface from the bulk of silicon layers so that its concentrations in the liquid-phase-epitaxy (LPE) layers are much lower than its solubility at the layer growth temperature and the reported 10{sup 17} cm{sup {minus}3} degradation threshold for solar-cell performance. Secondary-ion mass spectroscopy (SIMS) analysis indicates that, within a micron-deep sub-surface region, Cu accumulates even in as-grown LPE samples. Slower cooling after growth to room temperature enhances this Cu enrichment. X-ray photoelectron spectroscopy (XPS) measurement shows as much as 3.2% Cu in a surface region of about 50 {Angstrom}. More surface-sensitive, ion-scattering spectroscopy (ISS) analysis further reveals about 7% of Cu at the top surface. These results translate to an areal gettering capacity of about 1.0 x 10{sup 16} cm{sup {minus}2}, which is higher than the available total-area density of Cu in the layer and substrate (3.6 x 10{sup 15} cm{sup {minus}2} for a uniform 1.2 x 10{sup 17}cm{sup {minus}3} Cu throughout the layer and substrate with a total thickness of 300 {mu}m).

  3. Carbon-Type Analysis and Comparison of Original and Reblended FACE Diesel Fuels (FACE 2, FACE 4, and FACE 7)

    SciTech Connect (OSTI)

    Bays, J. Timothy; King, David L.; O'Hagan, Molly J.

    2012-10-01

    This report summarizes the carbon-type analysis from 1H and 13C{1H} nuclear magnetic resonance spectroscopy (NMR) of Fuels for Advanced Combustion Engines (FACE) diesel blends, FD-2B, FD 4B, and FD-7B, and makes comparison of the new blends with the original FACE diesel blends, FD 2A, FD 4A, and FD-7A, respectively. Generally, FD-2A and FD-2B are more similar than the A and B blends of FD-4 and FD-7. The aromatic carbon content is roughly equivalent, although the new FACE blends have decreased monoaromatic content and increased di- and tri-cycloaromatic content, as well as a higher overall aromatic content, than the original FACE blends. The aromatic components of the new FACE blends generally have a higher alkyl substitution with longer alkyl substituents. The naphthenic and paraffinic contents remained relatively consistent. Based on aliphatic methyl and methylene carbon ratios, cetane numbers for FD-2A and -2B, and FD-7A and -7B are predicted to be consistent, while the cetane number for FD-4B is predicted to be higher than FD-4A. Overall, the new FACE fuel blends are fairly consistent with the original FACE fuel blends, but there are observable differences. In addition to providing important comparative compositional information on reformulated FACE diesel blends, this report also provides important information about the capabilities of the team at Pacific Northwest National Laboratory in the use of NMR spectroscopy for the detailed characterization and comparison of fuels and fuel blends.

  4. Systematic uncertainties associated with the cosmological analysis of the first Pan-STARRS1 type Ia supernova sample

    SciTech Connect (OSTI)

    Scolnic, D.; Riess, A.; Brout, D.; Rodney, S. [Department of Physics and Astronomy, Johns Hopkins University, 3400 North Charles Street, Baltimore, MD 21218 (United States); Rest, A. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Huber, M. E.; Tonry, J. L. [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States); Foley, R. J.; Chornock, R.; Berger, E.; Soderberg, A. M.; Stubbs, C. W.; Kirshner, R. P.; Challis, P.; Czekala, I.; Drout, M. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Narayan, G. [Department of Physics, Harvard University, 17 Oxford Street, Cambridge, MA 02138 (United States); Smartt, S. J.; Botticella, M. T. [Astrophysics Research Centre, School of Mathematics and Physics, Queens University Belfast, Belfast BT7 1NN (United Kingdom); Schlafly, E. [Max Planck Institute for Astronomy, Konigstuhl 17, D-69117 Heidelberg (Germany); and others

    2014-11-01

    We probe the systematic uncertainties from the 113 Type Ia supernovae (SN Ia) in the Pan-STARRS1 (PS1) sample along with 197 SN Ia from a combination of low-redshift surveys. The companion paper by Rest et al. describes the photometric measurements and cosmological inferences from the PS1 sample. The largest systematic uncertainty stems from the photometric calibration of the PS1 and low-z samples. We increase the sample of observed Calspec standards from 7 to 10 used to define the PS1 calibration system. The PS1 and SDSS-II calibration systems are compared and discrepancies up to ?0.02 mag are recovered. We find uncertainties in the proper way to treat intrinsic colors and reddening produce differences in the recovered value of w up to 3%. We estimate masses of host galaxies of PS1 supernovae and detect an insignificant difference in distance residuals of the full sample of 0.037 0.031 mag for host galaxies with high and low masses. Assuming flatness and including systematic uncertainties in our analysis of only SNe measurements, we find w =?1.120{sub ?0.206}{sup +0.360}(Stat){sub ?0.291}{sup +0.269}(Sys). With additional constraints from Baryon acoustic oscillation, cosmic microwave background (CMB) (Planck) and H {sub 0} measurements, we find w=?1.166{sub ?0.069}{sup +0.072} and ?{sub m}=0.280{sub ?0.012}{sup +0.013} (statistical and systematic errors added in quadrature). The significance of the inconsistency with w = 1 depends on whether we use Planck or Wilkinson Microwave Anisotropy Probe measurements of the CMB: w{sub BAO+H0+SN+WMAP}=?1.124{sub ?0.065}{sup +0.083}.

  5. Processing of R-Ba-Cu-O superconductors

    SciTech Connect (OSTI)

    Wu, H.

    1998-02-23

    Precipitation processes were developed to introduce second phases as flux pinning centers in Gd-Ba-Cu-O and Nd-Ba-Cu-O superconductors. In Gd-Ba-Cu-O, precipitation is caused by the decrease of the upper solubility limit of Gd{sub 1+x}Ba{sub 2{minus}x}Cu{sub 3}O{sub 7} solid solution (Gd123ss) in low oxygen partial pressure. Processing of supersaturated Gd{sub 1.2}Ba{sub 1.8}Cu{sub 3}O{sub 7} in low oxygen partial pressure can produce dispersed second phases. Gd211 is formed as a separate phase while extensive Gd124 type stacking fault is formed instead of a separate CuO phase. As a result of the precipitation reaction, the transition temperature and critical current density are increased. In Nd-Ba-Cu-O, precipitation is caused by the decrease of the lower solubility limit of Nd{sub 1+x}Ba{sub 2{minus}x}Cu{sub 3}O{sub 7} solid solution (Nd123ss) in oxygen. DTA results reveal the relative stability of Nd123ss in different oxygen partial pressures. In 1 bar oxygen partial pressure, Nd123ss with x = 0.1 is the most stable phase. In lower oxygen partial pressures, the most stable composition shifts towards the stoichiometric composition. The relative stability changes faster with decreasing oxygen partial pressure. Therefore, processing in oxygen and air tends to produce broad superconducting transitions but sharp transitions can be achieved in 0.01 bar and 0.001 bar oxygen partial pressures. While the lower solubility limits in 0.01 bar and 0.001 bar oxygen partial pressures remain at x = 0.00, the solubility limits in oxygen and air show a narrowing with decreasing temperature. Because of the narrowing of the solubility range in oxygen, oxygen annealing of Nd123 initially processed in low oxygen partial pressures will result in precipitation of second phases. The equilibrium second phase is BaCuO{sub 2} for temperature above 608 C, and at lower temperatures the equilibrium second phases are Ba{sub 2}CuO{sub 3.3} and Ba{sub 2}Cu{sub 3}O{sub 5+y}. However, annealing at

  6. Preferential Cu precipitation at extended defects in bcc Fe: An atomistic study

    SciTech Connect (OSTI)

    Zhang, Yongfeng; Millett, Paul C.; Tonks, Michael R.; Bai, Xian-Ming; Biner, S. Bulent

    2015-04-01

    As a starting point to understand Cu precipitation in RPV alloys, molecular dynamics and Metropolis Monte-Carlo simulations are carried out to study the effect of lattice defects on Cu precipitation by taking Fe-Cu system as a model alloy. Molecular dynamics simulations show that owing to the high heat of mixing and positive size mismatch, Cu is attracted by vacancy type defects such as vacancies and voids, and tensile stress fields. In accordance, preferential precipitation of Cu is observed in Metropolis Monte-Carlo simulations at dislocations, prismatic loops and voids. The interaction of Cu with a stress field, e.g., that associated with a dislocation or a prismatic loop, is dominated by elastic effect and can be well described by the linear-elasticity theory. For prismatic loops, the attraction to Cu is found to be size-dependent with opposite trends displayed by vacancy and interstitial loops. The size-dependences can be explained by considering the stress fields produced by these loops. The current results will be useful for understanding the effect of neutron irradiation on Cu precipitation in reactor-pressure-vessel steels.

  7. Preparation and structure characterization of SmCo{sub 5}(0001) epitaxial thin films grown on Cu(111) underlayers

    SciTech Connect (OSTI)

    Ohtake, Mitsuru; Nukaga, Yuri; Futamoto, Masaaki; Kirino, Fumiyoshi

    2009-04-01

    SmCo{sub 5}(0001) epitaxial films were prepared on Cu(111) single-crystal underlayers formed on Al{sub 2}O{sub 3}(0001) substrates at 500 deg. C. The nucleation and growth mechanism of (0001)-oriented SmCo{sub 5} crystal on Cu(111) underlayer is investigated and a method to control the nucleation is proposed. The SmCo{sub 5} epitaxial thin film formed directly on Cu underlayer consists of two types of domains whose orientations are rotated around the film normal by 30 deg. each other. By introducing a thin Co seed layer on the Cu underlayer, a SmCo{sub 5}(0001) single-crystal thin film is successfully obtained. Nucleation of SmCo{sub 5} crystal on Cu underlayer seems controllable by varying the interaction between the Cu underlayer and the SmCo{sub 5} layer.

  8. Solidification behavior and structure of Al-Cu alloy welds

    SciTech Connect (OSTI)

    Brooks, J.A.; Li, M.; Yang, N.C.Y.

    1997-09-01

    The microsegregation behavior of electron beam (EB) and gas tungsten arc (GTA) welds of Al-Cu alloys covering a range from 0.19 to 7.74 wt% Cu were characterized for dendrite core concentrations and fraction eutectic solidification. Although a single weld speed of 12.7 mm/sec was used, some differences were observed in the segregation behavior of the two weld types. The microsegregation behavior was also modeled using a finite differences technique considering dendrite tip and eutectic undercooling and solid state diffusion. Fairly good agreement was observed between measured and calculated segregation behavior although differences between the two weld types could not be completely accounted for. The concept of dendrite tip undercooling was used to explain the formation of a single through thickness centerline grain in the higher alloy content GTA welds.

  9. A Theoretical Study of Methanol Synthesis from CO(2) Hydrogenation on Metal-doped Cu(111) Surfaces

    SciTech Connect (OSTI)

    Liu P.; Yang, Y.; White, M.G.

    2012-01-12

    Density functional theory (DFT) calculations and Kinetic Monte Carlo (KMC) simulations were employed to investigate the methanol synthesis reaction from CO{sub 2} hydrogenation (CO{sub 2} + 3H{sub 2} {yields} CH{sub 3}OH + H{sub 2}O) on metal-doped Cu(111) surfaces. Both the formate pathway and the reverse water-gas shift (RWGS) reaction followed by a CO hydrogenation pathway (RWGS + CO-Hydro) were considered in the study. Our calculations showed that the overall methanol yield increased in the sequence: Au/Cu(111) < Cu(111) < Pd/Cu(111) < Rh/Cu(111) < Pt/Cu(111) < Ni/Cu(111). On Au/Cu(111) and Cu(111), the formate pathway dominates the methanol production. Doping Au does not help the methanol synthesis on Cu(111). Pd, Rh, Pt, and Ni are able to promote the methanol production on Cu(111), where the conversion via the RWGS + CO-Hydro pathway is much faster than that via the formate pathway. Further kinetic analysis revealed that the methanol yield on Cu(111) was controlled by three factors: the dioxomethylene hydrogenation barrier, the CO binding energy, and the CO hydrogenation barrier. Accordingly, two possible descriptors are identified which can be used to describe the catalytic activity of Cu-based catalysts toward methanol synthesis. One is the activation barrier of dioxomethylene hydrogenation, and the other is the CO binding energy. An ideal Cu-based catalyst for the methanol synthesis via CO{sub 2} hydrogenation should be able to hydrogenate dioxomethylene easily and bond CO moderately, being strong enough to favor the desired CO hydrogenation rather than CO desorption but weak enough to prevent CO poisoning. In this way, the methanol production via both the formate and the RWGS + CO-Hydro pathways can be facilitated.

  10. Reconciliation of local and long-range tilt correlations in underdoped La 2 x Ba x CuO 4 ( 0 ? x ? 0.155 )

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

    Bozin, Emil S.; Zhong, Ruidan; Knox, Kevin R.; Gu, Genda; Hill, John P.; Tranquada, John M.; Billinge, Simon J. L.

    2015-02-26

    A long-standing puzzle regarding the disparity of local and long-range CuO? octahedral tilt correlations in the underdoped regime of La2xBaxCuO? is addressed by utilizing complementary neutron powder diffraction and inelastic neutron scattering (INS) approaches. This system is of interest because of the strong depression of the bulk superconducting transition at x=1/8 in association with charge and spin stripe order. The latter unidirectional order is tied to Cu-O bond-length anisotropy present in the so-called low-temperature tetragonal (LTT) phase. On warming, the lattice exhibits two sequential structural transitions, involving changes in the CuO? tilt pattern, first to the low-temperature orthorhombic (LTO) andmorethen the high-temperature tetragonal (HTT) phase. Despite the changes in static order, inspection of the instantaneous local atomic structure suggests that the LTT-type tilts persist through the transitions. Analysis of the INS spectra for the x=1/8 composition reveals the dynamic nature of the LTT-like tilt fluctuations within the LTO and HTT phases. Within the low-temperature phase, the Cu-O bond-length splitting inferred from lattice symmetry and fitted atomic position parameters reaches a maximum of 0.3% at x=1/8, suggesting that electron-phonon coupling may contribute to optimizing the structure to stabilize stripe order. This splitting is much too small to be resolved in the pair distribution function, and in fact we do not resolve any enhancement of the instantaneous bond-length distribution in association with stripe order. This study exemplifies the importance of a systematic approach using complementary techniques when investigating systems exhibiting a large degree of complexity and subtle structural responses.less

  11. Atomic-scale investigation of interface-facilitated deformation twinning in severely deformed Ag-Cu nanolamellar composites

    SciTech Connect (OSTI)

    An, X. H. E-mail: xiaozhou.liao@sydenye.edu.au; Cao, Y.; Liao, X. Z. E-mail: xiaozhou.liao@sydenye.edu.au; Zhu, S. M.; Nie, J. F.; Kawasaki, M.; Ringer, S. P.; Langdon, T. G.; Zhu, Y. T.

    2015-07-06

    We report an atomic-scale investigation of interface-facilitated deformation twinning behaviour in Ag-Cu nanolamellar composites. Profuse twinning activities in Ag supply partial dislocations to directly transmit across the Ag-Cu lamellar interface that promotes deformation twinning in the neighbouring Cu lamellae although the interface is severely deformed. The trans-interface twin bands change the local structure at the interface. Our analysis suggests that the orientation relationship and interfacial structure between neighbouring Ag-Cu lamellae play a crucial role in such special interface-facilitated twinning behaviour.

  12. Effect of thermally stable Cu- and Mg-rich aluminides on the high temperature strength of an AlSi12CuMgNi alloy

    SciTech Connect (OSTI)

    Asghar, Z.

    2014-02-15

    The internal architecture of an AlSi12CuMgNi piston alloy, revealed by synchrotron tomography, consists of three dimensional interconnected hybrid networks of Cu-rich aluminides, Mg-rich aluminides and eutectic/primary Si embedded in an α-Al matrix. The strength at room temperature and at 300°C is studied as a function of solution treatment time at 490°C and compared with results previously reported for an AlSi12Ni alloy. The addition of 1 wt% Cu and 1 wt% Mg to AlSi12CuMgNi increases the room temperature strength by precipitation hardening while the strength at 300°C is similar for both alloys in as-cast condition. The strength of AlSi12CuMgNi decreases with solution treatment time and stabilizes at 4 h solution treatment. The effect of solution treatment time on the strength of the AlSi12CuMgNi alloy is less pronounced than for the AlSi12Ni alloy both at room temperature and at 300°C. - Highlights: • The 3D microstructure of AlSi12CuMgNi is revealed by synchrotron tomography. • An imaging analysis procedure to segment phases with similar contrasts is presented. • 1 wt% Cu and Mg results in the formation of 3D networks of rigid phases. • AlSi12CuMgNi is stronger than AlSi12Ni owing to the stability of the 3D networks.

  13. Precipitates in a quasicrystal-strengthened Al–Mn–Be–Cu alloy

    SciTech Connect (OSTI)

    Zupanič, Franc; Wang, Di; Gspan, Cristian; Bončina, Tonica

    2015-08-15

    In this work, an Al–Mn–Be–Cu alloy was studied containing a primary and eutectic icosahedral quasicrystalline phase in the as-cast microstructure. Special attention was given to a transmission electron microscopy investigation of precipitates formed within the aluminium solid solution (Al{sub ss}) at different temperatures. At 200 °C, only binary Al–Cu precipitates (θ′) were formed. At 300 °C, icosahedral quasicrystalline (IQC) precipitates prevailed with a crystallographic orientation relationship with the Al{sub ss.} The rods of the T-phase (Al{sub 20}Mn{sub 3}Cu{sub 2}) which were precipitated above 400 °C, also had a specific orientation relationship with the Al{sub ss}. The primary and eutectic IQC microstructural constituent started to transform rapidly to the T-phase and Be{sub 4}Al(Mn,Cu) at 500 °C. - Highlights: • In a quasicrystal-strengthened Al-alloy several types of precipitates can form. • At 200 °C, only binary Al–Cu precipitates formed (Al{sub 2}Cu-θ′). • The icosahedral quasicrystalline (IQC) precipitates prevailed at 300 °C. • T-phase (Al{sub 20}Mn{sub 3}Cu{sub 2}) precipitated at temperatures above 400 °C. • The precipitation of different phases did not have a strong effect on hardness.

  14. Local structure order in Pd??Cu?Si?? liquid

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

    Yue, G. Q.; Iowa State Univ., Ames, IA; Zhang, Y.; Sun, Y.; Shen, B.; Dong, F.; Wang, Z. Y.; Zhang, R. J.; Zheng, Y. X.; Kramer, M. J.; et al

    2015-02-05

    The short-range order (SRO) in Pd??Cu?Si?? liquid was studied by high energy x-ray diffraction and ab initio molecular dynamics (MD) simulations. The calculated pair correlation functions at different temperatures agree well with the experimental results. The partial pair correlation functions from ab intio MD simulations indicate that Si atoms prefer to be uniformly distributed while Cu atoms tend to aggregate. By performing structure analysis using Honeycutt-Andersen index, Voronoi tessellation, and atomic cluster alignment method, we show that the icosahedron and face-centered cubic SRO increase upon cooling. The dominant SRO is the Pd-centered Pd?Si? motif, namely the structure of which motifmoreis similar to the structure of Pd-centered clusters in the Pd?Si? crystal. The study further confirms the existence of trigonal prism capped with three half-octahedra that is reported as a structural unit in Pd-based amorphous alloys. The majority of Cu-centered clusters are icosahedra, suggesting that the presence of Cu is benefit to promote the glass forming ability.less

  15. First-principles study of roles of Cu and Cl in polycrystalline CdTe

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

    Yang, Ji -Hui; Yin, Wan -Jian; Park, Ji -Sang; Metzger, Wyatt; Wei, Su -Huai

    2016-01-25

    In this study, Cu and Cl treatments are important processes to achieve high efficiency polycrystalline cadmium telluride (CdTe) solar cells, thus it will be beneficial to understand the roles they play in both bulk CdTe and CdTe grain boundaries (GBs). Using first-principles calculations, we systematically study Cu and Cl-related defects in bulk CdTe. We find that Cl has only a limited effect on improving p-type doping and too much Cl can induce deep traps in bulk CdTe, whereas Cu can enhance ptype doping of bulk CdTe. In the presence of GBs, we find that, in general, Cl and Cu willmore » prefer to stay at GBs, especially for those with Te-Te wrong bonds, in agreement with experimental observations.« less

  16. Fine precipitation scenarios of AlZnMg(Cu) alloys revealed by advanced atomic-resolution electron microscopy study Part I: Structure determination of the precipitates in AlZnMg(Cu) alloys

    SciTech Connect (OSTI)

    Liu, J.Z.; Chen, J.H.; Yuan, D.W.; Wu, C.L.; Zhu, J.; Cheng, Z.Y.

    2015-01-15

    Although they are among the most important precipitation-hardened materials for industry applications, the high-strength AlZnMg(Cu) alloys have thus far not yet been understood adequately about their underlying precipitation scenarios in relation with the properties. This is partly due to the fact that the structures of a number of different precipitates involved in electron microscopy in association with quantitative image simulations have to be employed; a systematic study of these hardening precipitates in different alloys is also necessary. In Part I of the present study, it is shown that there are five types of structurally different precipitates including the equilibrium η-phase precipitate. Using two state-of-the-art atomic-resolution imaging techniques in electron microscopy in association with quantitative image simulations, we have determined and clarified all the unknown precipitate structures. It is demonstrated that atomic-resolution imaging can directly suggest approximate structure models, whereas quantitative image analysis can refine the structure details that are much smaller than the resolution of the microscope. This combination is crucially important for solving the difficult structure problems of the strengthening precipitates in AlZnMg(Cu) alloys. - Highlights: Part I: • We determine and verify all the key precipitate structures in AlMgZn(Cu) alloys. • We employ aberration-corrected scanning transmission electron microscopy (STEM). • We use aberration-corrected high-resolution TEM (HRTEM) for the investigations. • We obtain atomic-resolution images of the precipitates and model their structures. • We refine all precipitate structures with quantitative image simulation analysis. Part II: • The hardening precipitates in AlZnMg alloys shall be classified into two groups. • Two precipitation scenarios coexist in the alloys. • The precipitation behavior of such an alloy depends on the alloy's composition. • Very detailed phase

  17. Surface chemistry of BORAZON: I, Analysis of the three cubic boron nitride materials: Type 1, 510, and 550

    SciTech Connect (OSTI)

    Moddeman, W.E.; Foose, D.S.; Bowling, W.C.; Burke, A.R.; Kasten, L.S.; Cassidy, R.T.

    1992-03-25

    Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS) were used to characterize the surface chemistry of three BORAZON* materials: Type I, 510, and 550. Samples were examined in the ``as-received`` condition and following heat treatments in air. Boron oxides were found on the Type I and 550 BORAZON crystals; oxide thicknesses were estimated to be 15A. The titanium-coated product, 510, was found to have a discontinuous titanium coating with a TiO{sub 2} layer that was approximately 20A thick. Following heat treatment at 800{degrees}C for 1 hr in air, the boron oxide layer on the Type I crystals was found to increase in thickness to approximately 30A. The same heat treatment on the 510 crystals yielded a multi-layered structure consisting of an enriched outer layer of B{sub 2}O{sub 3} over a predominantly TiO{sub 2} one. The entire initial titanium coating was oxidized, and segregated patches of B{sub 2}O{sub 3} (``islands``) were observed. The segregated patches can be explained in terms of the coalescence of liquid B{sub 2}O{sub 3} (melting point = 450{degrees}C). The 550 crystals were oxidized at 500{degrees}C. The oxide formed at this temperature was B{sub x}O (x > 0.67). These results were interpreted in terms of their potential use in sealing BORAZON to glass in vitreous bonding.

  18. Classification of Multiple Types of Organic Carbon Composition in Atmospheric Particles by Scanning Transmission X-Ray Microscopy Analysis

    SciTech Connect (OSTI)

    Kilcoyne, Arthur L; Takahama, S.; Gilardoni, S.; Russell, L.M.; Kilcoyne, A.L.D.

    2007-05-16

    A scanning transmission X-ray microscope at the Lawrence Berkeley National Laboratory is used to measure organic functional group abundance and morphology of atmospheric aerosols. We present a summary of spectra, sizes, and shapes observed in 595 particles that were collected and analyzed between 2000 and 2006. These particles ranged between 0.1 and 12 mm and represent aerosols found in a large range of geographical areas, altitudes, and times. They include samples from seven different field campaigns: PELTI, ACE-ASIA, DYCOMS II, Princeton, MILAGRO (urban), MILAGRO (C-130), and INTEX-B. At least 14 different classes of organic particles show different types of spectroscopic signatures. Different particle types are found within the same region while the same particle types are also found in different geographical domains. Particles chemically resembling black carbon, humic-like aerosols, pine ultisol, and secondary or processed aerosol have been identified from functional group abundance and comparison of spectra with those published in the literature.

  19. Synthesis and catalytic application of nanofibrous La{sub 0.9}A{sub 0.1}MnO{sub 3} (A = Ca, Cu, Ag) with macroscopic shapes

    SciTech Connect (OSTI)

    Wu, Qiang Zhao, Li; Wu, Jiang; Yao, Weifeng

    2013-10-15

    Graphical abstract: Fabrication of nanofibrous La{sub 0.9}A{sub 0.1}MnO{sub 3} (A = Ca, Cu, Ag) perovskite-type oxides with macroscopic shapes was successfully obtained using carbon nanofibers (CNFs) as templates. Furthermore, their application for the combustion of carbon black (CB), which is a model of particulate matter exhausted from diesel engines, was demonstrated. - Highlights: Nanofibrous La{sub 0.9}A{sub 0.1}MnO{sub 3} with macroscopic shapes was successfully obtained. CNFs template method used here is facile, effective and reproducible. The obtained materials show superior catalytic activity in soot combustion. The catalytic order is La{sub 0.9}Ag{sub 0.1}MnO{sub 3} > La{sub 0.9}Cu{sub 0.1}MnO{sub 3} > La{sub 0.9}Ca{sub 0.1}MnO{sub 3}. - Abstract: Fabrication of nanofibrous La{sub 0.9}A{sub 0.1}MnO{sub 3} (A = Ca, Cu, Ag) perovskite-type oxides with macroscopic shapes can be successfully obtained by using CNFs as templates. Field emission scanning electron microscopy (FE-SEM) and X-ray diffraction (XRD) analysis confirmed the template effect and formation of nanofibrous perovskite-type oxides on macroscopic silica fiber. It turned out that it is reliable to control the desired single-phase La{sub 0.9}A{sub 0.1}MnO{sub 3} (A = Ca, Cu, Ag) perovskite-type oxides formation by tuning the corresponding metal ratio during preparation process. Furthermore, it showed that the as-prepared nanofibrous La{sub 0.9}A{sub 0.1}MnO{sub 3} (A = Ca, Cu, Ag) perovskite-type oxides can greatly decrease the combustion temperature of nanosized carbon black particles, and follows the order of La{sub 0.9}Ag{sub 0.1}MnO{sub 3} > La{sub 0.9}Cu{sub 0.1}MnO{sub 3} > La{sub 0.9}Ca{sub 0.1}MnO{sub 3}, indicating their high potential application prospects in diesel soot particles treatment.

  20. Synthesis, structure, and magnetic properties of a novel mixed-valence copper(I/II) phosphate, Cu{sub 2}PO{sub 4}

    SciTech Connect (OSTI)

    Etheredge, K.M.S.; Hwu, S.J.

    1995-09-27

    Via phase compatibility studies, a novel mixed-valence copper(I/II) phosphate, Cu{sub 2}PO{sub 4}, has been isolated from a direct reaction of Cu{sub 2}{sup I}O, Cu{sup II}O, and P{sub 2}O{sub 5} in fused silica. The single-crystal X-ray diffraction shows that the title compound crystallizes in a triclinic (P1) unit cell, with lattice dimensions a = 6.145(2) {angstrom}, b = 9.348(2) {angstrom}, c = 6.009(1) {angstrom}, {alpha} = 96.46(2){degrees}, {beta} = 100.16(2){degrees}, {gamma} = 73.97(2){degrees}, V = 325.8(1) {angstrom}{sup 3}; Z =4. The structure has been refined by the least-squares method to R = 0.019, R{sub w} = 0.030, and GOF = 1.43 for 128 variables. The four copper atoms in each asymmetric unit adopt three distorted coordination geometries that are consistent with the corresponding electronic states, e.g., square pyramidal Cu(1){sup II}O{sub 5}, octahedral Cu(2){sup II}O{sub 6}, and linear Cu(3,4){sup I}O{sub 2}. A low-dimensional framework exists consisting of arrays of nearly parallel CuO{sub 2} units which are separated by the nonmagnetic, closed-shell P{sup 5+} cation in PO{sub 4} tetrahedra. Closely spaced CuO{sub 2} chains and a relatively short Cu{sup I}-Cu{sup I} distance, e.g., 2.737 {angstrom} for Cu(3)-Cu(3), are attributed to the bond strength of the cross-linked PO{sub 4} tetrahedra. In the extended Cu(I/II)-O framework, short linkages of Cu{sup I}-O-Cu{sup II}-O-Cu{sup I} and Cu{sup II}-O-Cu{sup II}, composed of regular Cu-O bonds (1.86-1.99 {angstrom}), are interconnected through long Cu{sup II}-O bonds (2.36-2.74 {angstrom}). The magnetic measurements indicate that the Cu-O framework exhibits a spin 1/2 ground state and an antiferromagnetic ordering with a broad susceptibility maximum between 95 and 105 K. The results of stoichiometric synthesis, thermal analysis, and bond valence sum calculations of the title compound are also discussed.

  1. The role of interparticle heterogeneities in the selenization pathway of Cu-Zn-Sn-S nanoparticle thin films: A real-time study

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

    Carter, Nathaniel J.; Mainz, Roland; Walker, Bryce C.; Hages, Charles J.; Just, Justus; Klaus, Manuela; Schmidt, Sebastian S.; Weber, Alfons; Yang, Wei -Chang D.; Zander, Ole; et al

    2015-06-10

    Real-time energy dispersive x-ray diffraction (EDXRD) analysis has been utilized to observe the selenization of Cu-Zn-Sn-S nanoparticle films coated from three nanoparticle populations: Cu- and Sn-rich particles roughly 5 nm in size, Zn-rich nanoparticles ranging from 10 to 20 nm in diameter, and a mixture of both types of nanoparticles (roughly 1:1 by mass), which corresponds to a synthesis recipe yielding CZTSSe solar cells with reported total-area efficiencies as high as 7.9%. The EDXRD studies presented herein show that the formation of copper selenide intermediates during the selenization of mixed-particle films can be primarily attributed to the small, Cu- andmore » Sn-rich particles. Moreover, the formation of these copper selenide phases represents the first stage of the CZTSSe grain growth mechanism. The large, Zn-rich particles subsequently contribute their composition to form micrometer-sized CZTSSe grains. In conclusion, these findings enable further development of a previously proposed selenization pathway to account for the roles of interparticle heterogeneities, which in turn provides a valuable guide for future optimization of processes to synthesize high quality CZTSSe absorber layers.« less

  2. The role of interparticle heterogeneities in the selenization pathway of Cu-Zn-Sn-S nanoparticle thin films: A real-time study

    SciTech Connect (OSTI)

    Carter, Nathaniel J.; Mainz, Roland; Walker, Bryce C.; Hages, Charles J.; Just, Justus; Klaus, Manuela; Schmidt, Sebastian S.; Weber, Alfons; Yang, Wei -Chang D.; Zander, Ole; Stach, Eric A.; Unold, Thomas; Agrawal, Rakesh

    2015-06-10

    Real-time energy dispersive x-ray diffraction (EDXRD) analysis has been utilized to observe the selenization of Cu-Zn-Sn-S nanoparticle films coated from three nanoparticle populations: Cu- and Sn-rich particles roughly 5 nm in size, Zn-rich nanoparticles ranging from 10 to 20 nm in diameter, and a mixture of both types of nanoparticles (roughly 1:1 by mass), which corresponds to a synthesis recipe yielding CZTSSe solar cells with reported total-area efficiencies as high as 7.9%. The EDXRD studies presented herein show that the formation of copper selenide intermediates during the selenization of mixed-particle films can be primarily attributed to the small, Cu- and Sn-rich particles. Moreover, the formation of these copper selenide phases represents the first stage of the CZTSSe grain growth mechanism. The large, Zn-rich particles subsequently contribute their composition to form micrometer-sized CZTSSe grains. In conclusion, these findings enable further development of a previously proposed selenization pathway to account for the roles of interparticle heterogeneities, which in turn provides a valuable guide for future optimization of processes to synthesize high quality CZTSSe absorber layers.

  3. Low temperature fabrication and doping concentration analysis of Au/Sb ohmic contacts to n-type Si

    SciTech Connect (OSTI)

    Liu, J. Q.; Wang, C.; Zhu, T.; Wu, W. J.; Fan, J.; Tu, L. C.

    2015-11-15

    This paper investigates low temperature ohmic contact formation of Au/Sb to n-type Si substrates through AuSb/NiCr/Au metal stacks. Liquid epitaxy growth is utilized to incorporate Sb dopants into Si substrate in AuSi melt. The best specific contact resistivity achieved is 0.003 Ω ⋅ cm{sup 2} at 425 {sup o}C. Scanning electron microscopy (SEM) reveals inverted pyramidal crater regions at the metal/semiconductor interface, indicating that AuSi alloying efficiently occurs at such sites. Secondary ion mass spectroscopy (SIMS) shows that Sb atoms are successfully incorporated into Si as doping impurities during the anneal process, and the Sb doping concentration at the contact interface is found to be higher than the solid solubility limit in a Si crystal. This ohmic contacts formation method is suitable for semiconductor fabrication processes with limited thermal budget, such as post CMOS integration of MEMS.

  4. Structural and thermal properties of nanocrystalline CuO synthesized by reactive magnetron sputtering

    SciTech Connect (OSTI)

    Verma, M.; Gupta, V. K.; Gautam, Y. K.; Dave, V.; Chandra, R.

    2014-01-28

    Recent research has shown immense application of metal oxides like CuO, MgO, CaO, Al{sub 2}O{sub 3}, etc. in different areas which includes chemical warfare agents, medical drugs, magnetic storage media and solar energy transformation. Among the metal oxides, CuO nanoparticles are of special interest because of their excellent gas sensing and catalytic properties. In this paper we report structural and thermal properties of CuO synthesized by reactive magnetron DC sputtering. The synthesized nanoparticles were characterized by X-ray diffractometer. The XRD result reveals that as DC power increased from 30W to 80W, size of the CuO nanoparticles increased. The same results have been verified through TEM analysis. Thermal properties of these particles were studied using thermogravimetry.

  5. Origins of optical absorption characteristics of Cu2+ complexes...

    Office of Scientific and Technical Information (OSTI)

    Origins of optical absorption characteristics of Cu2+ complexes in solutions Citation Details In-Document Search Title: Origins of optical absorption characteristics of Cu2+ ...

  6. Performance and mix measurements of indirect drive Cu doped Be...

    Office of Scientific and Technical Information (OSTI)

    Performance and mix measurements of indirect drive Cu doped Be implosions Citation Details In-Document Search Title: Performance and mix measurements of indirect drive Cu doped Be ...

  7. Understanding the Deactivation Mechanisms of Cu/Zeolite SCR Catalysts...

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

    Deactivation Mechanisms of CuZeolite SCR Catalysts in Diesel Application Understanding the Deactivation Mechanisms of CuZeolite SCR Catalysts in Diesel Application To understand ...

  8. Investigation of Sulfur Deactivation on Cu/Zeolite SCR Catalysts...

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

    Sulfur Deactivation on CuZeolite SCR Catalysts in Diesel Application Investigation of Sulfur Deactivation on CuZeolite SCR Catalysts in Diesel Application Investigation of Sulfur ...

  9. Effects of sintering temperature and duration on the structural and electrical properties of CuBiS{sub 2} bulks

    SciTech Connect (OSTI)

    Wubet, Walelign; Kuo, Dong-Hau Abdullah, Hairus

    2015-10-15

    CuBiS{sub 2} bulks were prepared by reactive sintering the mixture of Cu{sub 2}S and Bi{sub 2}S{sub 3} at 300, 350, 400, and 450 °C for 2 h and at the sintering temperature of 400 °C for 1, 1.5, 2, 2.5, and 3 h under a compensation disc of CuS for atmospheric control. Composition, structure, morphology, and electrical properties of the sintered bulks were analyzed. The compositions of Cu, Bi, and S did not change until the temperature reached at 450 °C.The highest electrical conductivity of 4.3 S cm{sup −1} and the highest Hall mobility of 11.1 cm{sup 2} V{sup −1} s{sup −1} were obtained for CuBiS{sub 2} sintered at 400 °C for 2 h. The deviation in the S/(Cu+Bi) ration caused the degradation of electrical properties, though the CuBiS{sub 2} remained as a single phase. Therefore, CuBiS{sub 2}, a less studied ternary copper based sulfide, is the p-type semiconductor for potential energy-related application and needs to have a good control in composition. - Graphical abstract: CuBiS{sub 2}, a less studied ternary copper based sulfide, is the p-type semiconductor and needs to have a good control in composition to achieve the optimal electrical properties. - Highlights: • CuBiS{sub 2}, a less studied copper-based sulfide, is a p-type semiconductor. • Electrical properties of CuBiS{sub 2} are important for its photovoltaic applications. • Deviation in composition leads a change in the electrical properties of CuBiS{sub 2}. • n of 2.4×10{sup 18} cm{sup −3}, μ of 11.1 cm{sup 2} V{sup −1} s{sup −1}, and σ of 4.3 S cm{sup −1} were obtained. • The process control in CuSbS{sub 2} is critical to achieve consistent performance.

  10. The effect of Cu content on the structure of Ni{sub 1-x}Cu{sub x}Fe{sub 2}O{sub 4} spinels

    SciTech Connect (OSTI)

    Tan, Xiaoyan; The Institute of Applied Chemistry, Central South University of Forestry and Technology, Changsha, Hunan 412006 ; Li, Guiying; Zhao, Ying; Hu, Changwei

    2009-12-15

    A series of Ni{sub 1-x}Cu{sub x}Fe{sub 2}O{sub 4} (0 {<=} x {<=} 0.5) spinels were synthesized employing sol-gel combustion method at 400 {sup o}C. The decomposition process was monitored by thermal analysis, and the synthesized nanocrystallites were characterized by X-ray diffraction, transmission electron microscopy, infra-red and X-ray photoelectron spectroscopy. The decomposition process and ferritization occur simultaneously over the temperature range from 280 {sup o}C to 350 {sup o}C. TEM indicates the increase of lattice parameter and particle size with the increase of copper content in accordance with the XRD analysis. Cu{sup 2+} can enter the cubic spinel phase and occupy preferentially the B-sites within x = 0.3, and redundant copper forms CuO phase separately. A broadening of the O 1s region increases with the increment of copper content compared to pure NiFe{sub 2}O{sub 4}, showing different surface oxygen species from the spinel and CuO. Cu{sup 2+} substitution favors the occupancy of A-sites by Fe{sup 3+}.

  11. Identification, characterization and structure analysis of a type I ribosome-inactivating protein from Sapium sebiferum (Euphorbiaceae)

    SciTech Connect (OSTI)

    Wu, Ying; Mao, Yingji; Jin, Shan; Hou, Jinyan; Du, Hua; Yang, Minglei; Wu, Lifang

    2015-08-07

    Ribosome-inactivating proteins (RIPs) are N-glycosidases (EC3.2.2.22) that universally inactivate the ribosome, thereby inhibiting protein biosynthesis. In this study, a novel type I RIPs named SEBIN was identified in Sapium sebiferum. Nuclear acid depurine experiment showed that SEBIN had rRNA N-Glycosidase activity. Further experiment indicated that SEBIN significantly inhibited Caenorhabditis elegans development as well as resulted in worm cell apoptosis. This is the first report to evaluate RIPs toxicity using C. elegans. We proposed that SEBIN may impaire C. elegans reproduction in a DNA-damage manner besides traditional protein synthesis inhibition approach. The predicted 3D structure was modeled using threading and ab initio modeling, and the r-RNA binding residue of SEBIN was identified through the protein-ligand docking approach. It showed the amino acid residues, Glu195, Asn81, Ala82, Tyr83, Glu164, Ser163, Ile159 and Arg167, played critical roles in catalytic process. Our results provided the theoretical foundation of structure–function relationships between enzymatic properties, toxicity and structural characterization of SEBIN. - Graphical abstract: Superposition of main chains of ricin (cyan) and SEBIN (brown), and adenine binding site residues of SEBIN. - Highlights: • A Ribosome-inactivating proteins gene (SEBIN) was isolated from Sapium sebiferum. • SEBIN had DNase activity besides widely reported ribosome inactivation via N-glycosidases activity. • SEBIN significantly inhibited Caenorhabditis elegans development in vivo. • SEBIN may impaire C. elegans reproduction in a DNA-damage manner with the aid of mutant strains hus-1 and clk-2. • The possible active sites between SEBIN and the adenine of rRNA were predicted.

  12. Hydrodynamic evolution and jet energy loss in Cu + Cu collisions...

    Office of Scientific and Technical Information (OSTI)

    Publication Date: 2011-04-18 OSTI Identifier: 1100252 Type: Publisher's Accepted Manuscript Journal Name: Physical review C. Nuclear physics Additional Journal Information: Journal ...

  13. Cu-Cu direct bonding achieved by surface method at room temperature

    SciTech Connect (OSTI)

    Utsumi, Jun [Advanced Technology Research Center, Mitsubishi Heavy Industries, Ltd., 1-8-1 Sachiura, Kanazawa-ku, Yokohama 236-8515 (Japan); Ichiyanagi, Yuko, E-mail: yuko@ynu.ac.jp [Department of Physics, Graduate School of Engineering, Yokohama National University, Tokiwadai, Hodogaya, Yokohama 240-8501 (Japan)

    2014-02-20

    The metal bonding is a key technology in the processes for the microelectromechanical systems (MEMS) devices and the semiconductor devices to improve functionality and higher density integration. Strong adhesion between surfaces at the atomic level is crucial; however, it is difficult to achieve close bonding in such a system. Cu films were deposited on Si substrates by vacuum deposition, and then, two Cu films were bonded directly by means of surface activated bonding (SAB) at room temperature. The two Cu films, with the surface roughness Ra about 1.3nm, were bonded by using SAB at room temperature, however, the bonding strength was very weak in this method. In order to improve the bonding strength between the Cu films, samples were annealed at low temperatures, between 323 and 473 K, in air. As the result, the Cu-Cu bonding strength was 10 times higher than that of the original samples without annealing.

  14. Accelerating Fatigue Testing for Cu Ribbon Interconnects (Presentation)

    SciTech Connect (OSTI)

    Bosco, N.; Silverman, T.; Wohlgemuth , J.; Kurtz, S.; Inoue, M.; Sakurai, K.; Shioda, T.; Zenkoh, H.; Miyashita, M.; Tadanori, T.; Suzuki, S.

    2013-05-01

    This presentation describes fatigue experiments and discusses dynamic mechanical loading for Cu ribbon interconnects.

  15. Man-made objects cuing in satellite imagery

    SciTech Connect (OSTI)

    Skurikhin, Alexei N

    2009-01-01

    We present a multi-scale framework for man-made structures cuing in satellite image regions. The approach is based on a hierarchical image segmentation followed by structural analysis. A hierarchical segmentation produces an image pyramid that contains a stack of irregular image partitions, represented as polygonized pixel patches, of successively reduced levels of detail (LOOs). We are jumping off from the over-segmented image represented by polygons attributed with spectral and texture information. The image is represented as a proximity graph with vertices corresponding to the polygons and edges reflecting polygon relations. This is followed by the iterative graph contraction based on Boruvka's Minimum Spanning Tree (MST) construction algorithm. The graph contractions merge the patches based on their pairwise spectral and texture differences. Concurrently with the construction of the irregular image pyramid, structural analysis is done on the agglomerated patches. Man-made object cuing is based on the analysis of shape properties of the constructed patches and their spatial relations. The presented framework can be used as pre-scanning tool for wide area monitoring to quickly guide the further analysis to regions of interest.

  16. Direct Epoxidation of Propylene over Stabilized Cu+ Surface Sites on Ti Modified Cu2O

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

    Yang, X.; Kattel, S.; Xiong, K.; Mudiyanselage, K.; Rykov, S.; Senanayake, S. D.; Rodriguez, J. A.; Liu, P.; Stacchiola, D. J.; Chen, J. G.

    2015-07-17

    Direct propylene epoxidation by O2 is a challenging reaction because of the strong tendency for complete combustion. Results from the current study demonstrate the feasibility to tune the epoxidation selectivity by generating highly dispersed and stabilized Cu+ active sites in a TiCuOx mixed oxide. The TiCuOx surface anchors the key surface intermediate, oxametallacycle, leading to higher selectivity for epoxidation of propylene.

  17. Theoretical study on the CuH + H. -->. Cu + H/sub 2/ reaction pathway

    SciTech Connect (OSTI)

    Ruiz, M.E.; Garcia-Prieto, J.; Poulain, E.; Ozin, G.A.; Poirier, R.A.; Matta, S.M.; Czismadia, I.G.; Gracie, C.; Novaro, O.

    1986-01-16

    Quite recently, experimental results on the CuH + H ..-->.. Cu + H/sub 2/ thermal matrix phase reaction were reported, indicating that it proceeds with no activation barrier, and no evidence exists for an intermediate CuH/sub 2/ species at 10-13 K. Here the authors present a theoretical study of this reaction using variational and perturbational configuration interaction calculations with a relativistic pseudopotential (PSHONDO-CIPSI) set of programs. The results confirm the lack of a barrier and provide an explanation as to why the CuH/sub 2/ species may not be observed. 11 references, 3 figures, 3 tables.

  18. Overview spectra and axial distribution of spectral line intensities in a high-current vacuum arc with CuCr electrodes

    SciTech Connect (OSTI)

    Lisnyak, M.; Pipa, A. V.; Gorchakov, S. E-mail: weltmann@inp-greifswald.de; Iseni, S.; Franke, St.; Khapour, A.; Methling, R.; Weltmann, K.-D. E-mail: weltmann@inp-greifswald.de

    2015-09-28

    Spectroscopic investigations of free-burning vacuum arcs in diffuse mode with CuCr electrodes are presented. The experimental conditions of the investigated arc correspond to the typical system for vacuum circuit breakers. Spectra of six species Cu I, Cu II, Cu III, Cr I, Cr II, and Cr III have been analyzed in the wavelength range 350–810 nm. The axial intensity distributions were found to be strongly dependent on the ionization stage of radiating species. Emission distributions of Cr II and Cu II can be distinguished as well as the distributions of Cr III and Cu III. Information on the axial distribution was used to identify the spectra and for identification of overlapping spectral lines. The overview spectra and some spectral windows recorded with high resolution are presented. Analysis of axial distributions of emitted light, which originates from different ionization states, is presented and discussed.

  19. Million Cu. Feet Percent of National Total

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

    2 Alaska - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S2. Summary statistics for natural gas - Alaska, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 269 277 185 R 159 170 Production (million cubic feet) Gross Withdrawals From Gas Wells 127,417 112,268

  20. Million Cu. Feet Percent of National Total

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

    6 District of Columbia - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S9. Summary statistics for natural gas - District of Columbia, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 0 0 0 0 0 Production (million cubic feet) Gross Withdrawals From Gas Wells

  1. Million Cu. Feet Percent of National Total

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

    0 Indiana - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S16. Summary statistics for natural gas - Indiana, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 620 914 819 R 921 895 Production (million cubic feet) Gross Withdrawals From Gas Wells 6,802 9,075

  2. Million Cu. Feet Percent of National Total

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

    4 Massachusetts - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S23. Summary statistics for natural gas - Massachusetts, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 0 0 0 0 0 Production (million cubic feet) Gross Withdrawals From Gas Wells 0 0 0 0 0

  3. Million Cu. Feet Percent of National Total

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

    6 Nebraska - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S29. Summary statistics for natural gas - Nebraska, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 276 322 270 R 357 310 Production (million cubic feet) Gross Withdrawals From Gas Wells 2,092 1,854

  4. Million Cu. Feet Percent of National Total

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

    50 North Dakota - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S36. Summary statistics for natural gas - North Dakota, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 188 239 211 200 200 Production (million cubic feet) Gross Withdrawals From Gas Wells

  5. CuCo2O4 ORR/OER Bi-functional catalyst: Influence of synthetic approach on performance

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

    Serov, Alexey; Andersen, Nalin I.; Roy, Aaron J.; Matanovic, Ivana; Artyushkova, Kateryna; Atanassov, Plamen

    2015-02-07

    A series of CuCo2O4 catalysts were synthesized by pore forming, sol-gel, spray pyrolysis and sacrificial support methods. Catalysts were characterized by XRD, SEM, XPS and BET techniques. The electrochemical activity for the oxygen reduction and oxygen evolution reactions (ORR and OER) was evaluated in alkaline media by RRDE. Density Functional Theory was used to identify two different types of active sites responsible for ORR/OER activity of CuCo2O4 and it was found that CuCo2O4 can activate the O-O bond by binding molecular oxygen in bridging positions between Co or Co and Cu atoms. It was found that the sacrificial support methodmore » (SSM) catalyst has the highest performance in both ORR and OER and has the highest content of phase-pure CuCo2O4. It was shown that the presence of CuO significantly decreases the activity in oxygen reduction and oxygen evolution reactions. As a result, the half-wave potential (E1/2) of CuCo2O4-SSM was found as 0.8 V, making this material a state-of-the-art, unsupported oxide catalyst.« less

  6. Award Types

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

    Awards Team (505) 667-7824 Email Types of Awards The Awards Office, sponsored by the Technology Transfer Division and the Science and Technology Base Program Office, coordinates...

  7. High heat flux testing of HIP bonded DS-Cu/316SS first wall panel for fusion experimental reactors

    SciTech Connect (OSTI)

    Hatano, Toshihisa; Sato, Kazuyoshi; Dairaku, Masayuki

    1996-12-31

    A shielding blanket design in a fusion reactor such as ITER has been proposed to be a modulator structure integrated with the first wall. In terms of the fabrication, HIP (Hot Isostatic Pressing) method has been proposed for the joining of dispersion strengthened copper (DS-Cu) and type 316L stainless steel (SS316L) at FW. High heat flux tests of HIP bonded DS-Cu/SS316L first wall panel were performed at particle Beam Engineering Facility in JAERI to investigate its thermo-mechanical performance. After four campaigns of high heat flux testing, the FW panel was cut to observe the HIP bonded interface and heated surface of DS-Cu. Though melting of DS-Cu surface was observed, there were no cracks at the HIP bonded interface. 2 refs., 11 figs., 1 tab.

  8. Electrodeposition, characterization and morphological investigations of NiFe/Cu multilayers prepared by pulsed galvanostatic, dual bath technique

    SciTech Connect (OSTI)

    Esmaili, S.; Bahrololoom, M.E.; Kavanagh, K.L.

    2011-02-15

    NiFe/Cu multilayers were grown sequentially by pulsed electrodeposition on copper (Cu) substrates. The layers were prepared in galvanostatic mode using a dual bath technique. The morphology, thickness, roughness and composition of the layers were studied using scanning electron microscopy, scanning transmission electron microscopy with energy dispersive X-ray spectroscopy, X-ray diffraction and atomic force microscopy. Analysis showed that the resulting multilayers were continuous layers with a root mean square roughness of 30 nm and a grain size of 20-60 nm. The Cu substrate and the electrodeposited Cu layer were preferentially (200) oriented while the NiFe layers were polycrystalline but with a preferred (200) texture. The thinnest multilayers produced were 20/40, NiFe/Cu, respectively. - Research Highlights: {yields} Thin MLs of Cu and Py can be ED utilizing a pulsed-galvanostatic, DBT. {yields} The resulting multilayers were continuous layers with an rms of 30 nm. {yields} The smallest average thickness achieved by DBT was 40 nm/20 nm for Cu/NiFe.

  9. Comparative study of the alloying effect on the initial oxidation of Cu-Au(100) and Cu-Pt(100)

    SciTech Connect (OSTI)

    Luo, Langli; Zhou, Guangwen; Kang, Yihong; Yang, Judith C.; Su, Dong; Stach, Eric A.

    2014-03-24

    Using in situ transmission electron microscopy, we show that the oxidation of the Cu-Au(100) results in the formation of Cu{sub 2}O islands that deeply embed into the Cu-Au substrate while the oxidation of the Cu-Pt(100) leads to the formation of Cu{sub 2}O islands that highly protrude above the Cu-Pt substrate. Their difference is attributed to the different mobilities of Pt and Au in the Cu base alloys for which the sluggish mobility of Pt in Cu results in trapped Pt atoms at the oxide/alloy interface while the faster mobility of Au in Cu leads to enhanced rehomogenization of the alloy composition.

  10. Electronic band structure imaging of three layer twisted graphene on single crystal Cu(111)

    SciTech Connect (OSTI)

    Marquez Velasco, J.; Department of Physics, National Technical University of Athens, Athens ; Kelaidis, N.; Xenogiannopoulou, E.; Tsoutsou, D.; Tsipas, P.; Speliotis, Th.; Pilatos, G.; Likodimos, V.; Falaras, P.; Dimoulas, A.; Raptis, Y. S.

    2013-11-18

    Few layer graphene (FLG) is grown on single crystal Cu(111) by Chemical Vapor Deposition, and the electronic valence band structure is imaged by Angle-Resolved Photo-Emission Spectroscopy. It is found that graphene essentially grows polycrystalline. Three nearly ideal Dirac cones are observed along the Cu ?{sup }K{sup } direction in k-space, attributed to the presence of ?4 twisted three layer graphene with negligible interlayer coupling. The number of layers and the stacking order are compatible with Raman data analysis demonstrating the complementarity of the two techniques for a more accurate characterization of FLG.

  11. Ab initio investigation on hydrogen adsorption capability in Zn and Cu-based metal organic frameworks

    SciTech Connect (OSTI)

    Tanuwijaya, V. V.; Hidayat, N. N. Agusta, M. K. Dipojono, H. K.

    2015-09-30

    One of the biggest challenge in material technology for hydrogen storage application is to increase hydrogen uptake in room temperature and pressure. As a class of highly porous material, Metal-Organic Frameworks (MOF) holds great potential with its tunable structure. However, little is known about the effect of metal cluster to its hydrogen storage capability. Investigation on this matter has been carried out carefully on small cluster of Zn and Cu-based MOF using first principles method. The calculation of two distinct building units of MOFs, namely octahedral and paddle-wheel models, have been done with B3LYP density functional method using 6-31G(d,p) and LANL2DZ basis sets. From geometry optimization of Zn-based MOF linked by benzene-dicarboxylate (MOF-5), it is found that hydrogen tends to keep distance from metal cluster group and stays above benzene ring. In the other hand, hydrogen molecule prefers to stay atop of the exposed Cu atom in Cu-based MOF system linked by the same linker group (Cu-bdc). Calculated hydrogen binding enthalpies for Zn and Cu octahedral cages at ZnO{sub 3} sites are 1.64kJ/mol and 2.73kJ/mol respectively, while hydrogen binding enthalpies for Zn and Cu paddle-wheel cages calculated on top of metal atoms are found to be at 6.05kJ/mol and 6.10kJ/mol respectively. Major difference between Zn-MOF-5 and Cu-bdc hydrogen uptake performance might be caused by unsaturated metal sites present in Cu-bdc system and the influence of their geometric structures, although a small difference on binding energy in the type of transition metal used is also observed. The comparison between Zn and Cu-based MOF may contribute to a comprehensive understanding of metal clusters and the importance of selecting best transition metal for design and synthesis of metal-organic frameworks.

  12. Role of polycrystallinity in CdTe and CuInSe sub 2 photovoltaic cells

    SciTech Connect (OSTI)

    Sites, J.R. )

    1991-01-01

    The polycrystalline nature of thin-film CdTe and CuInSe{sub 2} solar cells continues to be a major factor in several individual losses that limit overall cell efficiency. This report describes progress in the quantitative separation of these losses, including both measurement and analysis procedures. It also applies these techniques to several individual cells to help document the overall progress with CdTe and CuInSe{sub 2} cells. Notably, CdTe cells from Photon Energy have reduced window photocurrent losses to 1 mA/Cm{sup 2}; those from the University of South Florida have achieved a maximum power voltage of 693 mV; and CuInSe{sub 2} cells from International Solar Electric Technology have shown a hole density as high as 7 {times} 10{sup 16} cm{sup {minus}3}, implying a significant reduction in compensation. 9 refs.

  13. Interpretation of thermoelectric properties of Cu substituted LaCoO{sub 3} ceramics

    SciTech Connect (OSTI)

    Choudhary, K. K.; Kaurav, N.; Sharma, U.; Ghosh, S. K.

    2014-04-24

    The thermoelectric properties of LaCo{sub 1?x}Cu{sub x}O{sub 3??} is theoretically analyzed, it is observed that thermoelectric figure of merit ZT (=S{sup 2}?T/?) is maximized by Cu substitution in LaCoO{sub 3} Ceramics at x=0.15. The lattice thermal conductivity and thermoelectric power were estimated by the scattering of phonons with defects, grain boundaries, electrons and phonons to evaluate the thermoelectric properties. We found that Cu substitution increase the phonon scattering with grain boundaries and defects which significantly increase the thermoelectric power and decrease the thermal conductivity. The present numerical analysis will help in designing more efficient thermoelectric materials.

  14. Exponentially decaying magnetic coupling in sputtered thin film FeNi/Cu/FeCo trilayers

    SciTech Connect (OSTI)

    Wei, Yajun Akansel, Serkan; Thersleff, Thomas; Brucas, Rimantas; Lansaker, Pia; Leifer, Klaus; Svedlindh, Peter; Harward, Ian; Celinski, Zbigniew; Ranjbar, Mojtaba; Dumas, Randy K.; Jana, Somnath; Pogoryelov, Yevgen; Karis, Olof; Åkerman, Johan

    2015-01-26

    Magnetic coupling in trilayer films of FeNi/Cu/FeCo deposited on Si/SiO{sub 2} substrates have been studied. While the thicknesses of the FeNi and FeCo layers were kept constant at 100 Å, the thickness of the Cu spacer was varied from 5 to 50 Å. Both hysteresis loop and ferromagnetic resonance results indicate that all films are ferromagnetically coupled. Micromagnetic simulations well reproduce the ferromagnetic resonance mode positions measured by experiments, enabling the extraction of the coupling constants. Films with a thin Cu spacer are found to be strongly coupled, with an effective coupling constant of 3 erg/cm{sup 2} for the sample with a 5 Å Cu spacer. The strong coupling strength is qualitatively understood within the framework of a combined effect of Ruderman-Kittel-Kasuya-Yosida and pinhole coupling, which is evidenced by transmission electron microscopy analysis. The magnetic coupling constant surprisingly decreases exponentially with increasing Cu spacer thickness, without showing an oscillatory thickness dependence. This is partially connected to the substantial interfacial roughness that washes away the oscillation. The results have implications on the design of multilayers for spintronic applications.

  15. Million Cu. Feet Percent of National Total

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

    0 Alabama - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S1. Summary statistics for natural gas - Alabama, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 7,026 7,063 6,327 R 6,165 6,118 Production (million cubic feet) Gross Withdrawals From Gas Wells

  16. Million Cu. Feet Percent of National Total

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

    6 Arkansas - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S4. Summary statistics for natural gas - Arkansas, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 7,397 8,388 8,538 R 9,843 10,150 Production (million cubic feet) Gross Withdrawals From Gas Wells

  17. Million Cu. Feet Percent of National Total

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

    8 California - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S5. Summary statistics for natural gas - California, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 1,580 1,308 1,423 R 1,335 1,118 Production (million cubic feet) Gross Withdrawals From Gas

  18. Million Cu. Feet Percent of National Total

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

    0 Colorado - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S6. Summary statistics for natural gas - Colorado, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 28,813 30,101 32,000 R 32,468 38,346 Production (million cubic feet) Gross Withdrawals From Gas

  19. Million Cu. Feet Percent of National Total

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

    8 Florida - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S10. Summary statistics for natural gas - Florida, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 0 0 0 0 0 Production (million cubic feet) Gross Withdrawals From Gas Wells 0 0 17,182 16,459 19,742

  20. Million Cu. Feet Percent of National Total

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

    0 Georgia - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S11. Summary statistics for natural gas - Georgia, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 0 0 0 0 0 Production (million cubic feet) Gross Withdrawals From Gas Wells 0 0 0 0 0 From Oil Wells

  1. Million Cu. Feet Percent of National Total

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

    6 Idaho - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S14. Summary statistics for natural gas - Idaho, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 0 0 0 0 0 Production (million cubic feet) Gross Withdrawals From Gas Wells 0 0 0 0 0 From Oil Wells 0 0

  2. Million Cu. Feet Percent of National Total

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

    8 Illinois - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S15. Summary statistics for natural gas - Illinois, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 50 40 40 R 34 36 Production (million cubic feet) Gross Withdrawals From Gas Wells E 1,697 2,114

  3. Million Cu. Feet Percent of National Total

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

    2 Iowa - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S17. Summary statistics for natural gas - Iowa, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 0 0 0 0 0 Production (million cubic feet) Gross Withdrawals From Gas Wells 0 0 0 0 0 From Oil Wells 0 0 0

  4. Million Cu. Feet Percent of National Total

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

    4 Kansas - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S18. Summary statistics for natural gas - Kansas, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 22,145 25,758 24,697 R 23,792 24,354 Production (million cubic feet) Gross Withdrawals From Gas Wells

  5. Million Cu. Feet Percent of National Total

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

    6 Kentucky - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S19. Summary statistics for natural gas - Kentucky, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 17,670 14,632 17,936 R 19,494 19,256 Production (million cubic feet) Gross Withdrawals From Gas

  6. Million Cu. Feet Percent of National Total

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

    8 Louisiana - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S20. Summary statistics for natural gas - Louisiana, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 19,137 21,235 19,792 R 19,528 19,251 Production (million cubic feet) Gross Withdrawals From Gas

  7. Million Cu. Feet Percent of National Total

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

    0 Maine - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S21. Summary statistics for natural gas - Maine, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 0 0 0 0 0 Production (million cubic feet) Gross Withdrawals From Gas Wells 0 0 0 0 0 From Oil Wells 0 0

  8. Million Cu. Feet Percent of National Total

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

    6 Michigan - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S24. Summary statistics for natural gas - Michigan, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 10,100 11,100 10,900 R 10,550 10,500 Production (million cubic feet) Gross Withdrawals From Gas

  9. Million Cu. Feet Percent of National Total

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

    0 Mississippi - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S26. Summary statistics for natural gas - Mississippi, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 1,979 5,732 1,669 R 1,967 1,645 Production (million cubic feet) Gross Withdrawals From Gas

  10. Million Cu. Feet Percent of National Total

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

    2 Missouri - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S27. Summary statistics for natural gas - Missouri, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 0 53 100 R 26 28 Production (million cubic feet) Gross Withdrawals From Gas Wells 0 0 0 R 8 8 From

  11. Million Cu. Feet Percent of National Total

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

    4 Montana - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S28. Summary statistics for natural gas - Montana, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 6,059 6,477 6,240 5,754 5,754 Production (million cubic feet) Gross Withdrawals From Gas Wells

  12. Million Cu. Feet Percent of National Total

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

    8 Nevada - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S30. Summary statistics for natural gas - Nevada, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 0 0 0 R 4 4 Production (million cubic feet) Gross Withdrawals From Gas Wells 0 0 0 0 3 From Oil Wells

  13. Million Cu. Feet Percent of National Total

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

    4 New Mexico - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S33. Summary statistics for natural gas - New Mexico, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 44,748 32,302 28,206 R 27,073 27,957 Production (million cubic feet) Gross Withdrawals From

  14. Million Cu. Feet Percent of National Total

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

    6 New York - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S34. Summary statistics for natural gas - New York, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 6,736 6,157 7,176 R 6,902 7,119 Production (million cubic feet) Gross Withdrawals From Gas Wells

  15. Million Cu. Feet Percent of National Total

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

    2 Ohio - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S37. Summary statistics for natural gas - Ohio, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 34,931 46,717 35,104 R 32,664 32,967 Production (million cubic feet) Gross Withdrawals From Gas Wells

  16. Million Cu. Feet Percent of National Total

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

    4 Oklahoma - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S38. Summary statistics for natural gas - Oklahoma, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 44,000 41,238 40,000 39,776 40,070 Production (million cubic feet) Gross Withdrawals From Gas

  17. Million Cu. Feet Percent of National Total

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

    6 Oregon - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S39. Summary statistics for natural gas - Oregon, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 26 24 27 R 26 28 Production (million cubic feet) Gross Withdrawals From Gas Wells 1,407 1,344 770 770

  18. Million Cu. Feet Percent of National Total

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

    8 Pennsylvania - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S40. Summary statistics for natural gas - Pennsylvania, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 44,500 54,347 55,136 R 53,762 70,400 Production (million cubic feet) Gross Withdrawals

  19. Million Cu. Feet Percent of National Total

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

    6 Tennessee - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S44. Summary statistics for natural gas - Tennessee, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 230 210 212 R 1,089 1,024 Production (million cubic feet) Gross Withdrawals From Gas Wells 5,144

  20. Million Cu. Feet Percent of National Total

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

    8 Texas - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S45. Summary statistics for natural gas - Texas, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 95,014 100,966 96,617 97,618 98,279 Production (million cubic feet) Gross Withdrawals From Gas Wells

  1. Million Cu. Feet Percent of National Total

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

    0 Utah - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S46. Summary statistics for natural gas - Utah, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 6,075 6,469 6,900 R 7,030 7,275 Production (million cubic feet) Gross Withdrawals From Gas Wells 328,135

  2. Million Cu. Feet Percent of National Total

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

    4 Virginia - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S48. Summary statistics for natural gas - Virginia, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 7,470 7,903 7,843 R 7,956 7,961 Production (million cubic feet) Gross Withdrawals From Gas Wells

  3. Million Cu. Feet Percent of National Total

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

    8 West Virginia - Natural Gas 2014 Million Cu. Feet Percent of National Total Million Cu. Feet Percent of National Total Total Net Movements: - Industrial: Dry Production: Vehicle Fuel: Deliveries to Consumers: Residential: Electric Power: Commercial: Total Delivered: Table S50. Summary statistics for natural gas - West Virginia, 2010-2014 2010 2011 2012 2013 2014 Number of Producing Gas Wells at End of Year 52,498 56,813 50,700 R 54,920 60,000 Production (million cubic feet) Gross Withdrawals

  4. Science DMZ Implemented at CU Boulder

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

    CU Science Engagement Move your data Programs & Workshops Science Requirements Reviews Case Studies OSCARS Case Studies Science DMZ Case Studies Science DMZ @ UF Science DMZ @ CU Science DMZ @ Penn & VTTI Science DMZ @ NOAA Science DMZ @ NERSC Science DMZ @ ALS Multi-facility Workflow Case Study Contact Us Technical Assistance: 1 800-33-ESnet (Inside US) 1 800-333-7638 (Inside US) 1 510-486-7600 (Globally) 1 510-486-7607 (Globally) Report Network Problems: trouble@es.net Provide Web Site

  5. Structure and magnetic properties of RE{sub 2}CuIn{sub 3} (RE=Ce, Pr, Nd, Sm and Gd)

    SciTech Connect (OSTI)

    Tyvanchuk, Yuriy B. Szytula, Andrzej; Zarzycki, Arkadiusz; Rodewald, Ute Ch.; Kalychak, Yaroslav M.; Poettgen, Rainer

    2008-12-15

    The ternary copper indides RE{sub 2}CuIn{sub 3}{identical_to}RECu{sub 0.5}In{sub 1.5} (RE=Ce, Pr, Nd, Sm and Gd) were synthesized from the elements in sealed tantalum tubes in an induction furnace. They crystallize with the CaIn{sub 2}-type structure, space group P6{sub 3}/mmc, with a statistical occupancy of copper and indium on the tetrahedral substructure. These indides show homogeneity ranges RECu{sub x}In{sub 2-x}. Single crystal structure refinements were performed for five crystals: CeCu{sub 0.66}In{sub 1.34} (a=479.90(7) pm, c=768.12(15) pm), PrCu{sub 0.52}In{sub 1.48} (a=480.23(7) pm, c=759.23(15) pm), NdCu{sub 0.53}In{sub 1.47} (a=477.51(7) pm, c=756.37(15) pm), SmCu{sub 0.46}In{sub 1.54} (a=475.31(7) pm, c=744.77(15) pm), and GdCu{sub 0.33}In{sub 1.67} (a=474.19(7), c=737.67(15) pm). Temperature-dependent susceptibility measurements show antiferromagnetic ordering at T{sub N}=4.7 K for Pr{sub 2}CuIn{sub 3} and Nd{sub 2}CuIn{sub 3} and 15 K for Sm{sub 2}CuIn{sub 3}. Fitting of the susceptibility data of the samarium compound revealed an energy gap {delta}E=39.7(7) K between the ground and the first excited levels. - Graphical abstract: The CaIn{sub 2}-type structure of Sm{sub 2}CuIn{sub 3}.

  6. Modification of carbon nanotubes by CuO-doped NiO nanocomposite for use as an anode material for lithium-ion batteries

    SciTech Connect (OSTI)

    Mustansar Abbas, Syed; Tajammul Hussain, Syed; Ali, Saqib; Ahmad, Nisar; Ali, Nisar; Abbas, Saghir; Ali, Zulfiqar

    2013-06-15

    CuO-doped NiO (CuNiO) with porous hexagonal morphology is fabricated via a modified in-situ co-precipitation method and its nanocomposite is prepared with carbon nanotubes (CNTs). The electrochemical properties of CuNiO/CNT nanocomposite are investigated by cyclic voltammetry (CV), galvanostatic chargedischarge tests and electrochemical impedance spectroscopy (EIS). Since Cu can both act as conductor and a catalyst, the CuNiO/CNT nanocomposite exhibits higher initial coulombic efficiency (82.7% of the 2nd cycle) and better capacity retention (78.6% on 50th cycle) than bare CuNiO (78.9% of the 2nd cycle), CuO/CNT (76.8% of the 2nd cycle) and NiO/CNT (77.7% of the 2nd cycle) at the current density of 100 mA /g. This high capacity and good cycling ability is attributed to the partial substitution of Cu{sup +2} for Ni{sup +2}, resulting in an increase of holes concentration, and therefore improved p-type conductivity along with an intimate interaction with CNTs providing large surface area, excellent conduction, mechanical strength and chemical stability. - Graphical abstract: The porous CuNiO/CNT nanocomposite synthesized via a modified co-precipitation method in combination with subsequent calcination was applied in the negative electrode materials for lithium-ion batteries and exhibited high electrochemical performance. - Highlights: CuO doped NiO/CNTs nano composite is achieved via a simple co-precipitation method. Monodispersity, shape and sizes of sample particles is specifically controlled. Good quality adhesion between CNTs and CuNiO is visible from TEM image. High electrochemical performance is achieved. Discharge capacity of 686 mA h/g after 50 cycles with coulombic efficiency (82.5%)

  7. Earth-Abundant Cu-based Chalcogenide Materials as Photovoltaic...

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

    Photovoltaic (PV) conversion is demonstrated for the first time in Cu 3 PSe 4 , a member ... Earth-Abundant Cu-based Chalcogenide Materials as Photovoltaic Absorbers Research Details ...

  8. An in-situ phosphorus source for the synthesis of Cu3P and the subsequent conversion to Cu3PS4 nanoparticle clusters

    SciTech Connect (OSTI)

    Sheets, Erik J.; Stach, Eric A.; Yang, Wei -Chang; Balow, Robert B.; Wang, Yunjie; Walker, Bryce C.; Agrawal, Rakesh

    2015-09-20

    The search for alternative earth abundant semiconducting nanocrystals for sustainable energy applications has brought forth the need for nanoscale syntheses beyond bulk synthesis routes. Of particular interest are metal phosphides and derivative I-V-VI chalcogenides including copper phosphide (Cu3P) and copper thiophosphate (Cu3PS4). Herein, we report a one-pot, solution-based synthesis of Cu3P nanocrystals utilizing an in-situ phosphorus source: phosphorus pentasulfide (P2S5) in trioctylphosphine (TOP). By injecting this phosphorus source into a copper solution in oleylamine (OLA), uniform and size controlled Cu3P nanocrystals with a phosphorous-rich surface are synthesized. The subsequent reaction of the Cu3P nanocrystals with decomposing thiourea forms nanoscale Cu3PS4 particles having p-type conductivity and an effective optical band gap of 2.36 eV.

  9. The Effects of Hydrothermal Agingon a Commercial Cu SCR Catalyst

    Broader source: Energy.gov [DOE]

    Examines the effect of hydrothermal aging on the Nox reduction over a commercial Cu-zeolite SCR catalyst.

  10. Low voltage tunneling magnetoresistance in CuCrO{sub 2}-based semiconductor heterojunctions at room temperature

    SciTech Connect (OSTI)

    Li, X. R.; Han, M. J.; Shan, C.; Hu, Z. G. Zhu, Z. Q.; Chu, J. H.; Wu, J. D.

    2014-12-14

    CuCrO{sub 2}-based heterojunction diodes with rectifying characteristics have been fabricated by combining p-type Mg-doped CuCrO{sub 2} and n-type Al-doped ZnO. It was found that the current for the heterojunction in low bias voltage region is dominated by the trap-assisted tunneling mechanism. Positive magnetoresistance (MR) effect for the heterojunction can be observed at room temperature due to the tunneling-induced antiparallel spin polarization near the heterostructure interface. The MR effect becomes enhanced with the magnetic field, and shows the maximum at a bias voltage around 0.5 V. The phenomena indicate that the CuCrO{sub 2}-based heterojunction is a promising candidate for low-power semiconductor spintronic devices.

  11. Morphology, electrical, and optical properties of heavily doped ZnTe:Cu thin films

    SciTech Connect (OSTI)

    El Akkad, Fikry; Abdulraheem, Yaser

    2013-11-14

    We report on a study of the physical properties of ZnTe:Cu films with Cu content up to ∼12 at. % prepared using rf magnetron sputtering. The composition and lateral homogeneities are studied using X-ray photoelectron spectroscopy (XPS). Atomic force microscopy measurements on films deposited at different substrate temperatures (up to 325 °C) yielded activation energy of 12 kJ/mole for the grains growth. The results of XPS and electrical and optical measurements provide evidence for the formation of the ternary zinc copper telluride alloy in films containing Cu concentration above ∼4 at. %. The XPS results suggest that copper is incorporated in the alloy with oxidation state Cu{sup 1+} so that the alloy formula can be written Zn{sub 1−y}Cu{sub y} Te with y = 2−x, where x is a parameter measuring the stoichiometry in the Cu site. The formation of this alloy causes appreciable shift in the binding energies of the XPS peaks besides an IR shift in the energy band gap. Detailed analysis of the optical absorption data revealed the presence of two additional transitions, besides the band gap one, originating from the Γ{sub 8} and Γ{sub 7} (spin-orbit) valence bands to a donor level at ∼0.34 eV below the Γ{sub 6} conduction band. This interpretation yields a value for the valence band splitting energy Δ≅ 0.87 eV independent of copper concentration. On the other hand, the mechanism of formation of the alloy is tentatively explained in terms of a point defect reaction in which substitutional Cu defect Cu{sub Zn} is also created. Assuming that substitutional Cu is the dominant acceptor in the Zn rich alloy as in ZnTe, its formation energy was determined to be 1.7 eV close to the theoretical value (1.41 eV) in ZnTe.

  12. OPERATIONS AND PERFORMANCE OF RHIC AS A CU-CU COLLIDER.

    SciTech Connect (OSTI)

    PILAT, R.; AHRENS, L.; BAI, M.; BARTON, D.S.; ET AL.

    2005-05-16

    The 5th year of RHIC operations, started in November 2004 and expected to last till June 2005, consists of a physics run with Cu-Cu collisions at 100 GeV/u followed by one with polarized protons (pp) at 100 GeV [l]. We will address here the overall performance of the RHIC complex used for the first time as a Cu-Cu collider, and compare it with previous operational experience with Au, PP and asymmetric d-Au collisions. We will also discuss operational improvements, such as a {beta}* squeeze to 85cm in the high luminosity interaction regions from the design value of 1m, system improvements, machine performance and limitations, and address reliability and uptime issues.

  13. Cu(II) promotes amyloid pore formation

    SciTech Connect (OSTI)

    Zhang, Hangyu; Rochet, Jean-Christophe; Stanciu, Lia A.

    2015-08-14

    The aggregation of α-synuclein is associated with dopamine neuron death in Parkinson's disease. There is controversy in the field over the question of which species of the aggregates, fibrils or protofibrils, are toxic. Moreover, compelling evidence suggested the exposure to heavy metals to be a risk of PD. Nevertheless, the mechanism of metal ions in promoting PD remains unclear. In this research, we investigated the structural basis of Cu(II) induced aggregation of α-synuclein. Using transmission electron microscopy experiments, Cu(II) was found to promote in vitro aggregation of α-synuclein by facilitating annular protofibril formation rather than fibril formation. Furthermore, neuroprotective baicalein disaggregated annular protofibrils accompanied by considerable decrease of β-sheet content. These results strongly support the hypothesis that annular protofibrils are the toxic species, rather than fibrils, thereby inspiring us to search novel therapeutic strategies for the suppression of the toxic annular protofibril formation. - Highlights: • Cu(II) promoted the annular protofibril formation of α-synuclein in vitro. • Cu(II) postponed the in vitro fibrillization of α-synuclein. • Neuroprotective baicalein disaggregated annular protofibrils.

  14. Band alignment at Cu{sub 2}O/La{sub 0.7}Sr{sub 0.3}MnO{sub 3} interface: A combined experimental-theoretical determination

    SciTech Connect (OSTI)

    Cantoni, M.; Petti, D.; Bertacco, R.; Pallecchi, I.; Marre, D.; Colizzi, G.; Filippetti, A.; Fiorentini, V.

    2010-07-19

    Cu{sub 2}O/La{sub 0.7}Sr{sub 0.3}MnO{sub 3} is a promising heterostructure for the realization of all-oxide spintronics devices, with La{sub 0.7}Sr{sub 0.3}MnO{sub 3} (LSMO) and Cu{sub 2}O playing the roles of ferromagnet and semiconductor, respectively. Here we use x-ray photoelectron spectroscopy and first principles calculations to determine the valence band offset at the Cu{sub 2}O/LSMO interface. The interface band alignment is typical of a p-type semiconductor/metal contact, with an interface barrier of 0.3-0.5 eV depending on Cu{sub 2}O thickness. The calculated energetics indicates that the prevailing interface is between SrO-terminated LSMO and Cu planes of Cu{sub 2}O.

  15. Shock-induced consolidation and spallation of Cu nanopowders

    SciTech Connect (OSTI)

    Huang, L.; Han, W. Z.; Luo, S. N.; An, Q.; Goddard, W. A. III

    2012-01-01

    A useful synthesis technique, shock synthesis of bulk nanomaterials from nanopowders, is explored here with molecular dynamics simulations. We choose nanoporous Cu ({approx}11 nm in grain size and 6% porosity) as a representative system, and perform consolidation and spallation simulations. The spallation simulations characterize the consolidated nanopowders in terms of spall strength and damage mechanisms. The impactor is full density Cu, and the impact velocity (u{sub i}) ranges from 0.2 to 2 km s{sup -1}. We present detailed analysis of consolidation and spallation processes, including atomic-level structure and wave propagation features. The critical values of u{sub i} are identified for the onset plasticity at the contact points (0.2 km s{sup -1}) and complete void collapse (0.5 km s{sup -1}). Void collapse involves dislocations, lattice rotation, shearing/friction, heating, and microkinetic energy. Plasticity initiated at the contact points and its propagation play a key role in void collapse at low u{sub i}, while the pronounced, grain-wise deformation may contribute as well at high u{sub i}. The grain structure gives rise to nonplanar shock response at nanometer scales. Bulk nanomaterials from ultrafine nanopowders ({approx}10 nm) can be synthesized with shock waves. For spallation, grain boundary (GB) or GB triple junction damage prevails, while we also observe intragranular voids as a result of GB plasticity.

  16. Type: Renewal

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

    1 INCITE Awards Type: Renewal Title: -Ab Initio Dynamical Simulations for the Prediction of Bulk Properties‖ Principal Investigator: Theresa Windus, Iowa State University Co-Investigators: Brett Bode, Iowa State University Graham Fletcher, Argonne National Laboratory Mark Gordon, Iowa State University Monica Lamm, Iowa State University Michael Schmidt, Iowa State University Scientific Discipline: Chemistry: Physical INCITE Allocation: 10,000,000 processor hours Site: Argonne National

  17. Triaxial Stress Distributions in Cu / low-k Interconnect Features

    SciTech Connect (OSTI)

    C Murray; P Besser; E Ryan; J Jordan-Sweet

    2011-12-31

    The distribution of triaxial stresses within single damascene Cu/organosilicate interconnect structures as a function of linewidth, ranging from 45 to 250 nm, was measured using x-ray diffraction. Least-squares minimization techniques were employed to determine the volume-averaged stress tensors of the Cu features. Longitudinal Cu stress values increased for linewidths below 100 nm, while transverse stresses decreased with decreasing linewidth below 100 nm due to the interplay between the Cu microstructure and the feature geometry. Large tensile out-of-plane stresses were observed in all of the lines demonstrating the constraint imposed by the barrier layers that encapsulate the Cu.

  18. Identified high-pT spectra in Cu+Cu collisions at sqrt sNN=200 GeV

    SciTech Connect (OSTI)

    STAR Collaboration; Abelev, Betty

    2010-07-05

    We report new results on identified (anti)proton and charged pion spectra at large transverse momenta (3 < p{sub T} < 10 GeV/c) from Cu+Cu collisions at {radical}s{sub NN} = 200 GeV using the STAR detector at the Relativistic Heavy Ion Collider (RHIC). This study explores the system size dependence of two novel features observed at RHIC with heavy ions: the hadron suppression at high-p{sub T} and the anomalous baryon to meson enhancement at intermediate transverse momenta. Both phenomena could be attributed to the creation of a new form of QCD matter. The results presented here bridge the system size gap between the available pp and Au+Au data, and allow the detailed exploration for the on-set of the novel features. Comparative analysis of all available 200 GeV data indicates that the system size is a major factor determining both the magnitude of the hadron spectra suppression at large transverse momenta and the relative baryon to meson enhancement.

  19. In-situ energy dispersive x-ray diffraction study of the growth of CuO nanowires by annealing method

    SciTech Connect (OSTI)

    Srivastava, Himanshu; Ganguli, Tapas; Deb, S. K.; Sant, Tushar; Poswal, H. K.; Sharma, Surinder M.

    2013-10-14

    The in-situ growth of CuO nanowires was studied by Energy Dispersive X-ray Diffraction (EDXRD) to observe the mechanism of growth. The study was carried out for comparison at two temperaturesat 500 C, the optimum temperature of the nanowires growth, and at 300 C just below the temperature range of the growth. The in situ observation revealed the successive oxidation of Cu foil to Cu{sub 2}O layer and finally to CuO layer. Further analysis showed the presence of a compressive stress in CuO layer due to interface at CuO and Cu{sub 2}O layers. The compressive stress was found to increase with the growth of the nanowires at 500 C while it relaxed with the growth of CuO layer at 300 C. The present results do not support the existing model of stress relaxation induced growth of nanowires. Based on the detailed Transmission Electron Microscope, Scanning Electron Microscope, and EDXRD results, a microstructure based growth model has been suggested.

  20. Magnon spectrum of the helimagnetic insulator Cu2OSeO3

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

    Portnichenko, P. Y.; Romhányi, J.; Onykiienko, Y. A.; Henschel, A.; Schmidt, M.; Cameron, A. S.; Surmach, M. A.; Lim, J. A.; Park, J. T.; Schneidewind, A.; et al

    2016-02-25

    We report that complex low-temperature-ordered states in chiral magnets are typically governed by a competition between multiple magnetic interactions. The chiral-lattice multiferroic Cu2OSeO3 became the first insulating helimagnetic material in which a long-range order of topologically stable spin vortices known as skyrmions was established. Here we employ state-of-the-art inelastic neutron scattering to comprehend the full three-dimensional spin-excitation spectrum of Cu2OSeO3 over a broad range of energies. Distinct types of high- and low-energy dispersive magnon modes separated by an extensive energy gap are observed in excellent agreement with the previously suggested microscopic theory based on a model of entangled Cu4 tetrahedra.more » The comparison of our neutron spectroscopy data with model spin-dynamical calculations based on these theoretical proposals enables an accurate quantitative verification of the fundamental magnetic interactions in Cu2OSeO3 that are essential for understanding its abundant low-temperature magnetically ordered phases.« less

  1. Thermoelectric and Structural Characterization of Ba2Ho(Cu3-xCox)O6+y

    SciTech Connect (OSTI)

    Wong-Ng, W.; Li, Q.; Yang, Z.; Hu, Y.F.; Huang, Q.; Lowhorn, N.; Otani, M.; Kaduk, J.A.

    2009-03-18

    The search for thermoelectric materials for power generation and for solid-state cooling has led to increased interest of layered cobalt-containing oxides because of their thermal stability at high temperature and their desirable thermoelectric properties. This paper examines the effect of substitution of Co in the layered pervoskite Ba{sub 2}Ho(Cu{sub 3-x}Co{sub x})O{sub 6+y} (x = 0.3, 0.4, 0.5, 0.6, and 1.0). Structural analysis using the neutron Rietveld refinement technique reveals that when x {le} 0.4, Co substitutes mainly for Cu in the 'chain sites' of the Ba{sub 2}Ho(Cu{sub 3-x}Co{sub x})O{sub 6+y} structure. As x > 0.4, Co also enters in the Cu-O 'plane sites' as well. The thermoelectric properties of polycrystalline Ba{sub 2}Ho(Cu{sub 3-x}Co{sub x})O{sub 6+y} samples were studied in the temperature range of 10-390 K. In general, as the cobalt content x increases, the resistivity and Seebeck coefficient of these samples increase while the thermal conductivity decreases. Among the five Ba{sub 2}Ho(Cu{sub 3-x}Co{sub x})O{sub 6+y} compositions, the x = 0.4 member gives the highest figure of merit ZT of {approx} 0.02 at approximately 270 K.

  2. Type here

    Office of Environmental Management (EM)

    Injury at the Savannah River National Laboratory | Department of Energy January 10, 2006, Flash Fire and Injury at the Savannah River National Laboratory Type B Accident Investigation of the January 10, 2006, Flash Fire and Injury at the Savannah River National Laboratory February 1, 2006 On January 10, 2006, at approximately 7:47 a.m., a first-line manager (FLM) at the Savannah River National Laboratory (SRNL) received first- and second-degree burns to his head, face, neck, and left hand

  3. Effects of laser irradiation on the morphology of Cu(110)

    SciTech Connect (OSTI)

    Brandstetter, T.; Draxler, M.; Hohage, M.; Zeppenfeld, P.; Stehrer, T.; Heitz, J.; Georgiev, N.; Martinotti, D.; Ernst, H.-J.

    2008-07-15

    The effects of pulsed laser irradiation on the morphology of the Cu(110) surface were investigated by means of reflectance difference spectroscopy (RDS) and spot profile analysis low-energy electron diffraction (SPA-LEED). The laser light induces surface defects (adatoms and islands) as well as subsurface dislocation lines. The high surface mobility leads to efficient annealing of the surface defects even at room temperature, whereas the subsurface dislocation lines persist up to temperatures T>800 K. SPA-LEED profiles of the (00) diffraction spot from the laser irradiated surface suggest an anisotropic distribution of the subsurface line defects related to the geometry of the fcc easy glide system, which is corroborated by STM measurements. Comparative experiments using conventional Ar ion bombardment point out the distinctiveness of the morphological changes induced by laser irradiation.

  4. Mechanism of Methanol Synthesis on Cu through CO2 and CO Hydrogenation

    SciTech Connect (OSTI)

    Grabow, Lars C.; Mavrikakis, Manos

    2011-03-04

    each route is determined by their respective slow steps HCO*+H*?CH?O*+* and HCOOH*+H*?CH?O?*+* as well as by feed composition and reaction conditions. An analysis of the fitted parameters for a commercial Cu/ZnO/Al?O? catalyst suggests that a more open Cu surface, for example, Cu(110), Cu(100), and Cu(211) partially covered by oxygen, may provide a better model for the active site of methanol synthesis, but our studies cannot exclude a synergistic effect with the ZnO support.

  5. Uncovering the transmembrane metal binding site of the novel bacterial major facilitator superfamily-type copper importer CcoA

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

    Khalfaoui-Hassani, Bahia; Verissimo, Andreia F.; Koch, Hans -Georg; Daldal, Fevzi

    2016-01-19

    In this study, uptake and trafficking of metals and their delivery to their respective metalloproteins are important processes. Cells need precise control of each step to avoid exposure to excessive metal concentrations and their harmful consequences. Copper (Cu) is a required micronutrient used as a cofactor in proteins. However, in large amounts, it can induce oxidative damage; hence, Cu homeostasis is indispensable for cell survival. Biogenesis of respiratory heme-Cu oxygen (HCO) reductases includes insertion of Cu into their catalytic subunits to form heme-Cu binuclear centers. Previously, we had shown that CcoA is a major facilitator superfamily (MFS)-type bacterial Cu importermore » required for biogenesis of cbb3-type cytochromecoxidase (cbb3-Cox). Here, using Rhodobacter capsulatus, we focused on the import and delivery of Cu to cbb3-Cox. By comparing the CcoA amino acid sequence with its homologues from other bacterial species, we located several well-conserved Met, His, and Tyr residues that might be important for Cu transport. We determined the topology of the transmembrane helices that carry these residues to establish that they are membrane embedded, and substituted for them amino acids that do not ligand metal atoms. Characterization of these mutants for their uptake of radioactive64Cu and cbb3-Cox activities demonstrated that Met233 and His261 of CcoA are essential and Met237 and Met265 are important, whereas Tyr230 has no role for Cu uptake or cbb3-Cox biogenesis. These findings show for the first time that CcoA-mediated Cu import relies on conserved Met and His residues that could act as metal ligands at the membrane-embedded Cu binding domain of this transporter.« less

  6. Method of producing .sup.67 Cu

    DOE Patents [OSTI]

    O'Brien, Jr., Harold A.; Barnes, John W.; Taylor, Wayne A.; Thomas, Kenneth E.; Bentley, Glenn E.

    1984-01-01

    A method of producing carrier-free .sup.67 Cu by proton spallation combined with subsequent chemical separation and purification is disclosed. A target consisting essentially of pressed zinc oxide is irradiated with a high energy, high current proton beam to produce a variety of spallogenic nuclides, including .sup.67 Cu and other copper isotopes. The irradiated target is dissolved in a concentrated acid solution to which a palladium salt is added. In accordance with the preferred method, the spallogenic copper is twice coprecipitated with palladium, once with metallic zinc as the precipitating agent and once with hydrogen sulfide as the precipitating agent. The palladium/copper precipitate is then dissolved in an acid solution and the copper is separated from the palladium by liquid chromatography on an anion exchange resin.

  7. Method for producing /sup 67/Cu

    DOE Patents [OSTI]

    O'Brien, H.A. Jr.; Barnes, J.W.; Taylor, W.A.; Thomas, K.E.; Bentley, G.E.

    A method of producing carrier-free /sup 67/Cu by proton spallation combined with subsequent chemical separation and purification is disclosed. A target consisting essentially of pressed zinc oxide is irradiated with a high energy, high current proton beam to produce a variety of spallogenic nuclides, including /sup 67/Cu and other copper isotopes. The irradiated target is dissolved in a concentrated acid solution to which a palladium salt is added. In accordance with the preferred method, the spallogenic copper is twice coprecipitated with palladium, once with metallic zinc as the precipitating agent and once with hydrogen sulfide as the precipitating agent. The palladium/copper precipitate is then dissolved in an acid solution and the copper is separated from the palladium by liquid chromatography on an anion exchange resin.

  8. CuCo2O4 ORR/OER Bi-functional catalyst: Influence of synthetic approach on performance

    SciTech Connect (OSTI)

    Serov, Alexey; Andersen, Nalin I.; Roy, Aaron J.; Matanovic, Ivana; Artyushkova, Kateryna; Atanassov, Plamen

    2015-02-07

    A series of CuCo2O4 catalysts were synthesized by pore forming, sol-gel, spray pyrolysis and sacrificial support methods. Catalysts were characterized by XRD, SEM, XPS and BET techniques. The electrochemical activity for the oxygen reduction and oxygen evolution reactions (ORR and OER) was evaluated in alkaline media by RRDE. Density Functional Theory was used to identify two different types of active sites responsible for ORR/OER activity of CuCo2O4 and it was found that CuCo2O4 can activate the O-O bond by binding molecular oxygen in bridging positions between Co or Co and Cu atoms. It was found that the sacrificial support method (SSM) catalyst has the highest performance in both ORR and OER and has the highest content of phase-pure CuCo2O4. It was shown that the presence of CuO significantly decreases the activity in oxygen reduction and oxygen evolution reactions. As a result, the half-wave potential (E1/2) of CuCo2O4-SSM was found as 0.8 V, making this material a state-of-the-art, unsupported oxide catalyst.

  9. Local structure order in Pd78Cu6Si16 liquid

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

    Yue, G. Q.; Zhang, Y.; Sun, Y.; Shen, B.; Dong, F.; Wang, Z. Y.; Zhang, R. J.; Zheng, Y. X.; Kramer, M. J.; Wang, S. Y.; et al

    2015-02-05

    The short-range order (SRO) in Pd78Cu6Si16 liquid was studied by high energy x-ray diffraction and ab initio molecular dynamics (MD) simulations. The calculated pair correlation functions at different temperatures agree well with the experimental results. The partial pair correlation functions from ab intio MD simulations indicate that Si atoms prefer to be uniformly distributed while Cu atoms tend to aggregate. By performing structure analysis using Honeycutt-Andersen index, Voronoi tessellation, and atomic cluster alignment method, we show that the icosahedron and face-centered cubic SRO increase upon cooling. The dominant SRO is the Pd-centered Pd9Si2 motif, namely the structure of which motifmore » is similar to the structure of Pd-centered clusters in the Pd9Si2 crystal. The study further confirms the existence of trigonal prism capped with three half-octahedra that is reported as a structural unit in Pd-based amorphous alloys. The majority of Cu-centered clusters are icosahedra, suggesting that the presence of Cu is benefit to promote the glass forming ability.« less

  10. Effects of charge inhomogeneities on elementary excitations in La2-xSrxCuO₄

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

    Park, S. R.; Hamann, A.; Pintschovius, L.; Lamago, D.; Khaliullin, G.; Fujita, M.; Yamada, K.; Gu, G. D.; Tranquada, J. M.; Reznik, D.

    2011-12-12

    Purely local experimental probes of many copper oxide superconductors show that their electronic states are inhomogeneous in real space. For example, scanning tunneling spectroscopic imaging shows strong variations in real space, and according to nuclear quadrupole resonance (NQR) studies, the charge distribution in the bulk varies on the nanoscale. However, the analysis of the experimental results utilizing spatially averaged probes often ignores this fact. We have performed a detailed investigation of the doping dependence of the energy and linewidth of the zone-boundary Cu-O bond-stretching vibration in La2-xSrxCuO₄ by inelastic neutron scattering. Both our results as well as previously reported angle-dependentmore » momentum widths of the electronic spectral function detected by angle-resolved photoemission can be reproduced by including the same distribution of local environments extracted from the NQR analysis.« less

  11. The magnetic structure of EuCu2Sb2

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

    Ryan, D. H.; Cadogan, J. M.; Anand, V. K.; Johnston, D. C.; Flacau, R.

    2015-05-06

    Antiferromagnetic ordering of EuCu2Sb2 which forms in the tetragonal CaBe2Ge2-type structure (space group P4/nmm #129) has been studied using neutron powder diffraction and 151Eu Mössbauer spectroscopy. The room temperature 151Eu isomer shift of –12.8(1) mm/s shows the Eu to be divalent, while the 151Eu hyperfine magnetic field (Bhf) reaches 28.7(2) T at 2.1 K, indicating a full Eu2+ magnetic moment. Bhf(T) follows a smoothmore » $$S=\\frac{7}{2}$$ Brillouin function and yields an ordering temperature of 5.1(1) K. Refinement of the neutron diffraction data reveals a collinear A-type antiferromagnetic arrangement with the Eu moments perpendicular to the tetragonal c-axis. As a result, the refined Eu magnetic moment at 0.4 K is 7.08(15) μB which is the full free-ion moment expected for the Eu2+ ion with $$S=\\frac{7}{2}$$ and a spectroscopic splitting factor of g = 2.« less

  12. Magnetic dipole moments of {sup 57,58,59}Cu

    SciTech Connect (OSTI)

    Cocolios, T. E.; Andreyev, A. N.; Bastin, B.; Bree, N.; Buescher, J.; Elseviers, J.; Gentens, J.; Huyse, M.; Kudryavtsev, Yu.; Pauwels, D.; Bergh, P. Van den; Van Duppen, P.; Sonoda, T.

    2010-01-15

    In-gas-cell laser spectroscopy of the isotopes {sup 57,58,59,63,65}Cu has been performed at the LISOL facility using the 244.164-nm optical transition from the atomic ground state of copper. A detailed discussion on the hyperfine structure of {sup 63}Cu is presented. The magnetic dipole moments of the isotopes {sup 57,58,59,65}Cu are extracted based on that of {sup 63}Cu. The new value mu=+0.479(13)mu{sub N} is proposed for {sup 58}Cu, consistent with that of a pip{sub 3/2} x nup{sub 3/2} ground-state configuration. Spin assignments for the radioactive isotopes {sup 57,58,59}Cu are confirmed. The isotope shifts between the different isotopes are also given and discussed.

  13. TYPE OF OPERATION

    Office of Legacy Management (LM)

    ----------------- 0 Research & Development .a Production scale testing 0 Pilat Scale 0 Bench Scale Process 0 Thearetical Studies Cl Sample 84 Analysis 0 Production *i DiaposalKitorage Cl Facility Tybe q Government Sponsored Facility Other R.L- 6:e 14 1 1 ---------- --------- I I I TYPE OF CONTRACT ~-__-----------_ fl Prime *I 0 Subcantractbr Other infuriation (i.e., L.t + fixed fee, kit price, 0 Purchase Order time k mat*iik, gtc) /I -~---------'-t-----------~- ----------II----------------

  14. CuYb{sub 2}Ge{sub 4}O{sub 12}, a new bidimensionally tunneled structure

    SciTech Connect (OSTI)

    Campa, J.A.; Cascales, C.; Gueierrez-Puebla, E.; Monge, M.A.; Rasines, I.; Ruiz Valero, C.

    1996-06-01

    Employing CuO as self flux crystals of CuYb{sub 2}Ge{sub 4}O{sub 12} have been grown for the first time. The crystal structure of CuYb{sub 2}Ge{sub 4}O{sub 12} has been determined by single-crystal X-ray diffraction in the triclinic P1 (No. 2) space group to an R value of 6.1%, with (a) = 7.156(2) {Angstrom}, (b) = 7.937(3) {Angstrom}, (c) = 4.905(3) {Angstrom}, {alpha} = 86.63(3){degrees}, {Beta} = 102.41(4){degrees}, {gamma}=1114.12(3){degrees}, V = 248.2(2) {Angstrom}{sup 3}, Z = 1, and D{sub c} = 5.97 gcm{sup {minus}3}. The novel tridimensional CuYb{sub 2}Ge{sub 4}O{sub 12} structure type can be conceived as formed by layers of (GeO{sub 4}){sub 4} units of vertex-sharing GeO{sub 4} squares connecting (GeO{sub 4}){sub 4} units, with channels or tunnels of size up to 4.08 {Angstrom} in the a and c directions. A comparison is made between the structure types of the title germanate and recently reported CuNd{sub 2}Ge{sub 2}O{sub 8}. The temperature dependence from 350 to 1.8 K of the reciprocal dc magnetic susceptibility for CuYb{sub 2}Ge{sub 4}O{sub 12} is shown and presents a deviation from linearity over the whole temperature range. The infrared spectrum between 1000 and 100 cm{sup {minus}1} is given and related with those of comparable species.

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

    SciTech Connect (OSTI)

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

    2013-12-16

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

  16. Enhanced Thermoelectric Properties of Cu2ZnSnSe4 with Ga-doping

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

    Wei, Kaya; Beauchemin, Laura; Wang, Hsin; Porter, Wallace D.; Martin, Joshua; Nolas, George S.

    2015-08-10

    Gallium doped Cu2ZnSnSe4 quaternary chalcogenides with and without excess Cu were synthesized by elemental reaction and densified using hot pressing in order to investigate their high temperature thermoelectric properties. The resistivity, , and Seebeck coefficient, S, for these materials decrease with increased Ga-doping while both mobility and effective mass increase with Ga doping. The power factor (S2/ρ) therefore increases with Ga-doping. The highest thermoelectric figure of merit (ZT = 0.39 at 700 K) was obtained for the composition that had the lowest thermal conductivity. Our results suggest an approach to achieving optimized thermoelectric properties and are part of the continuingmore » effort to explore different quaternary chalcogenide compositions and structure types, as this class of materials continues to be of interest for thermoelectrics applications.« less

  17. Determination of lateral size distribution of type-II ZnTe/ZnSe stacked submonolayer quantum dots via spectral analysis of optical signature of the Aharanov-Bohm excitons

    SciTech Connect (OSTI)

    Ji, Haojie; Dhomkar, Siddharth; Roy, Bidisha; Kuskovsky, Igor L.; Shuvayev, Vladimir; Deligiannakis, Vasilios; Tamargo, Maria C.; Ludwig, Jonathan; Smirnov, Dmitry; Wang, Alice

    2014-10-28

    For submonolayer quantum dot (QD) based photonic devices, size and density of QDs are critical parameters, the probing of which requires indirect methods. We report the determination of lateral size distribution of type-II ZnTe/ZnSe stacked submonolayer QDs, based on spectral analysis of the optical signature of Aharanov-Bohm (AB) excitons, complemented by photoluminescence studies, secondary-ion mass spectroscopy, and numerical calculations. Numerical calculations are employed to determine the AB transition magnetic field as a function of the type-II QD radius. The study of four samples grown with different tellurium fluxes shows that the lateral size of QDs increases by just 50%, even though tellurium concentration increases 25-fold. Detailed spectral analysis of the emission of the AB exciton shows that the QD radii take on only certain values due to vertical correlation and the stacked nature of the QDs.

  18. The effect of Cu/Zn molar ratio on CO{sub 2} hydrogenation over Cu/ZnO/ZrO{sub 2}/Al{sub 2}O{sub 3} catalyst

    SciTech Connect (OSTI)

    Shaharun, Salina E-mail: maizats@petronas.com.my; Shaharun, Maizatul S. E-mail: maizats@petronas.com.my; Taha, Mohd F.; Mohamad, Dasmawati

    2014-10-24

    Catalytic hydrogenation of carbon dioxide (CO{sub 2}) to methanol is an attractive way to recycle and utilize CO{sub 2}. A series of Cu/ZnO/Al{sub 2}O{sub 3}/ZrO{sub 2} catalysts (CZAZ) containing different molar ratios of Cu/Zn were prepared by the co-precipitation method and investigated in a stirred slurry autoclave system. The catalysts were characterized by temperature-programmed reduction (TPR), field emission scanning electron microscopy-energy dispersive analysis (FESEM-EDX), X-ray diffraction (XRD) and N{sub 2} adsorption-desorption. Higher surface area, SA{sub BET} values (42.659.9 m{sup 2}/g) are recorded at low (1) and high (5) Cu/Zn ratios with the minimum value of 35.71 m{sup 2}/g found for a Cu/Zn of 3. The reducibility of the metal oxides formed after calcination of catalyst samples was also affected due to change in metal-support interaction. At a low reaction temperature of 443 K, total gas pressure of 3.0 MPa and 0.1 g/mL of the CZAZ catalyst, the selectivity to methanol decreased as the Cu/Zn molar ratio increased, and the maximum selectivity of 67.73 was achieved at Cu/Zn molar ratio of 1. With a reaction time of 3h, the best performing catalyst was CZAZ75 with Cu/Zn molar ratio of 5 giving methanol yield of 79.30%.

  19. Type B Accident Investigation Board Report for the January 11...

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

    barrier analysis, change analysis, and event and causal factor analysis. PDF icon Type B Accident Investigation Board Report for the January 11, 2006, Personal Injury During ...

  20. Enhanced Photocatalytic Property of Cu Doped Sodium Niobate

    SciTech Connect (OSTI)

    Xu, Jianbin; Zhang, Feng; Sun, Bingyang; Du, Yingge; Li, Guoqiang; Zhang, Weifeng

    2015-09-29

    We investigate the photocatalytic activity of Cu doped NaNbO3 powder sample prepared by the modified polymer complex method. The photocatalytic activity of hydrogen evolution from methanol aqueous solution was improved by Cu 2.6 at% doping. The photocatalytic degradation of rhodamine B under visible light irradiation was enhanced in comparison with pure NaNbO3. Cu inctroduction improved the adsorption property of NaNbO3, judging from the Fourier transform infrared spectra. Moreover, the ultraviolet light excitation in Cu doped sample was found to accelerate the mineralized process.

  1. Cu Migration in Polycrystalline CdTe Solar Cells

    SciTech Connect (OSTI)

    Guo, Da; Akis, Richard; Brinkman, Daniel; Sankin, Igor; Fang, Tian; Vasileska, Dragica; Ringhofer, Christian

    2014-03-12

    An impurity reaction-diffusion model is applied to Cu defects and related intrinsic defects in polycrystalline CdTe for a better understanding of Cu’s role in the cell level reliability of CdTe PV devices. The simulation yields transient Cu distributions in polycrystalline CdTe during solar cell processing and stressing. Preliminary results for Cu migration using available diffusivity and solubility data show that Cu accumulates near the back contact, a phenomena that is commonly observed in devices after back-contact processing or stress conditions.

  2. Understanding NOx SCR Mechanism and Activity on Cu/Chabazite...

    Office of Scientific and Technical Information (OSTI)

    Book: Understanding NOx SCR Mechanism and Activity on CuChabazite Structures throughout the Catalyst Life Cycle Citation Details In-Document Search Title: Understanding NOx SCR...

  3. Multi-component Cu-Strengthened Steel Welding Simulations: Atom...

    Office of Scientific and Technical Information (OSTI)

    Steel Welding Simulations: Atom Probe Tomography and Synchrotron X-ray Diffraction Analyses Citation Details In-Document Search Title: Multi-component Cu-Strengthened Steel Welding ...

  4. Composition and grain size effects on the structural and mechanical properties of CuZr nanoglasses

    SciTech Connect (OSTI)

    Adibi, Sara [Institute of High Performance Computing, A*STAR, 138632 Singapore (Singapore); Mechanical Engineering Department, National University of Singapore, 117576 Singapore (Singapore); Branicio, Paulo S., E-mail: branicio@ihpc.a-star.edu.sg; Zhang, Yong-Wei [Institute of High Performance Computing, A*STAR, 138632 Singapore (Singapore); Joshi, Shailendra P., E-mail: Shailendra@nus.edu.sg [Mechanical Engineering Department, National University of Singapore, 117576 Singapore (Singapore)

    2014-07-28

    Nanoglasses (NGs), metallic glasses (MGs) with a nanoscale grain structure, have the potential to considerably increase the ductility of traditional MGs while retaining their outstanding mechanical properties. We investigated the effects of composition on the structural and mechanical properties of CuZr NG films with grain sizes between 3 to 15?nm using molecular dynamics simulations. Results indicate a transition from localized shear banding to homogeneous superplastic flow with decreasing grain size, although the critical average grain size depends on composition: 5?nm for Cu{sub 36}Zr{sub 64} and 3?nm for Cu{sub 64}Zr{sub 36}. The flow stress of the superplastic NG at different compositions follows the trend of the yield stress of the parent MG, i.e., Cu{sub 36}Zr{sub 64} yield/flow stress: 2.54?GPa/1.29?GPa and Cu{sub 64}Zr{sub 36} yield/flow stress: 3.57?GPa /1.58?GPa. Structural analysis indicates that the differences in mechanical behavior as a function of composition are rooted at the distinct statistics of prominent atomic Voronoi polyhedra. The mechanical behavior of NGs is also affected by the grain boundary thickness and the fraction of atoms at interfaces for a given average grain size. The results suggest that the composition dependence of the mechanical behavior of NGs follows that of their parent MGs, e.g., a stronger MG will generate a stronger NG, while the intrinsic tendency for homogeneous deformation occurring at small grain size is not affected by composition.

  5. New Resolved Resonance Region Evaluation for 63Cu and 65Cu for Nuclear Criticality Safety Program

    SciTech Connect (OSTI)

    Sobes, Vladimir; Leal, Luiz C; Guber, Klaus H; Forget, Benoit; Kopecky, S.; Schillebeeckx, P.; Siegler, P.

    2014-01-01

    A new resolved resonance region evaluation of 63Cu and 65Cu was done in the energy region from 10-5 eV to 99.5 keV. The R-Matrix SAMMY method using the Reich-Moore approximation was used to create a new set of consistent resonance parameters. The new evaluation was based on three experimental transmission data sets; two measured at ORELA and one from MITR, and two radiative capture experimental data sets from GELINA. A total of 141 new resonances were identied for 63Cu and 117 for 65Cu. The corresponding set of external resonances for each isotope was based on the identied resonances above 99.5 keV from the ORELA transmission data. The negative external levels (bound levels) were determined to match the dierential thermal cross section measured at the MITR. Double dierential elastic scattering cross sections were calculated from the new set of resonance parameters. Benchmarking calculations were carried out on a set of ICSBEP benchmarks. This work is in support of the DOE Nuclear Criticality Safety Program.

  6. Structural and electrical properties of Si- and Ti-doped Cu{sub 2}SnSe{sub 3} bulks

    SciTech Connect (OSTI)

    Wubet, Walelign; Kuo, Dong-Hau

    2015-07-15

    Silicon-doped (Cu{sub 2}(Sn{sub 1−x}Si{sub x})Se{sub 3} and titanium-doped (Cu{sub 2}(Sn{sub 1−x}Ti{sub x})Se{sub 3} at x=0, 0.05, 0.1, 0.15, and 0.2 were prepared at 550 °C for 2 h with soluble sintering aids of volatile Sb{sub 2}S{sub 3} and Te. Defect chemistry was studied by measuring structural and electrical properties of Si-doped and Ti-doped Cu{sub 2}SnSe{sub 3} (CTSe) as a function of dopant concentration. Si-doped CTSe pellets show p-type at x=0 and 0.05 and n-type at x=0.1, 0.15, and 0.2, whereas Ti-doped CTSe pellets show p-type at x=0, 0.05 and 0.1 and n-type at x=0.15 and 0.2. The lowest hole concentration of 3.6×10{sup 17} cm{sup −3} and the highest mobility of 1525 cm{sup 2} V{sup −1} s{sup −1} were obtained for the Si-doped (Cu{sub 2}(Sn{sub 1−x}Si{sub x})Se{sub 3} bulks at x=0.1 (10% Si), while they were 3.1×10{sup 17} cm{sup −3} and 813 cm{sup 2} V{sup −1} s{sup −1} for the Ti-doped CTSe bulks at x=0.15 (15% Ti), as compared to 1.1×10{sup 18} cm{sup −3} and 209 cm{sup 2} V{sup −1} s{sup −1} for undoped one. The explanations based upon antisite defects of Si-to-Sn, Ti-to-Sn, Cu-to-Sn, and Sn-to-Cu for the changes in electrical property were declared. The study in bulk Si-doped and Ti-doped CTSe is based upon defect state and is consistent and supported by the data of electrical property and lattice parameter. - Graphical abstract: Cu{sub 2}SnSe{sub 3} (CTSe) semiconductor is interesting because of its adjustable electrical properties by extrinsic doping. Si and Ti doping in CTSe leads to high carrier mobility above 800 cm{sup 2} V{sup −1} s{sup −1}. - Highlights: • Cu{sub 2}SnSe{sub 3} (CTSe) is an interesting semiconductor because of its adjustable electrical properties. • Cu(In,Ga)Se{sub 2}, on the contrary, is difficult to change its electrical properties. • Si and Ti doping can change p-CTSe to n-CTSe. • The lowest electron concentration in doped CTSe had the highest mobility above 800 cm{sup 2} V{sup

  7. Non-uniform Aging on Super Duty Diesel Truck Aged Urea Cu/Zeolite...

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

    Aging on Super Duty Diesel Truck Aged Urea CuZeolite SCR Catalysts Non-uniform Aging on Super Duty Diesel Truck Aged Urea CuZeolite SCR Catalysts CuZeolite SCR catalysts aged ...

  8. Enhanced hydrogenation and reduced lattice distortion in size selected Pd-Ag and Pd-Cu alloy nanoparticles

    SciTech Connect (OSTI)

    Sengar, Saurabh K.; Mehta, B. R.; Kulriya, P. K.; Khan, S. A.

    2013-10-21

    Important correlation between valence band spectra and hydrogenation properties in Pd alloy nanoparticles is established by studying the properties of size selected and monocrystalline Pd, Ag, Cu, Pd-Ag, and Pd-Cu nanoparticles. The X-ray photoelectron spectroscopy and elastic recoil detection analysis show that size induced Pd4d centroid shift is related to enhanced hydrogenation with H/Pd ratio of 0.57 and 0.49 in Pd-Ag and Pd-Cu nanoparticles in comparison to reported bulk values of 0.2 and 0.1, respectively. Pd-alloy nanoparticles show lower hydrogen induced lattice distortion. The reduced distortion and higher hydrogen reactivity of Pd-alloy nanoparticles is important for numerous hydrogen related applications.

  9. Shape controlled synthesis of Cu{sub 2}O and its catalytic application to synthesize amorphous carbon nanofibers

    SciTech Connect (OSTI)

    Du Fanglin Liu Jungang; Guo Zhiyan

    2009-01-08

    Octahedral Cu{sub 2}O particles and Cu{sub 2}O nanowires were synthesized by a simple solution-phase route using N{sub 2}H{sub 4}.H{sub 2}O as reducing agent at room temperature. Amorphous carbon nanofibers were synthesized using octahedral Cu{sub 2}O particles and an acetylene gas source at atmospheric pressure. The samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectroscopy and thermogravimetric (TG) analysis. SEM and TEM images indicated that most of the obtained octahedral Cu{sub 2}O particles had an edge length of 400-700 nm. The obtained nanowires had uniform diameters of about 15 nm, and the length of the nanowires ranged from 5 to 10 {mu}m. The XRD result revealed the amorphous feature of the nanofibers. IR spectrum revealed that the nanofibers consist of -CH, -CH{sub 2,} -C=C- and -CH{sub 3} groups. The concentrations of N{sub 2}H{sub 4}.H{sub 2}O and NaOH played important roles in controlling the geometric shape of the Cu{sub 2}O.

  10. High-pressure synthesis, crystal structure and magnetic properties of double perovskite oxide Ba{sub 2}CuOsO{sub 6}

    SciTech Connect (OSTI)

    Feng, Hai L.; Arai, Masao; Matsushita, Yoshitaka; Tsujimoto, Yoshihiro; Yuan, Yahua; Sathish, Clastin I.; He, Jianfeng; Tanaka, Masahiko; Yamaura, Kazunari

    2014-09-15

    A new compositional double perovskite oxide Ba{sub 2}CuOsO{sub 6} was synthesized under high-pressure (6 GPa) and high-temperature (1500 °C) conditions. The polycrystalline Ba{sub 2}CuOsO{sub 6} was characterized by synchrotron X-ray diffraction, thermogravimetric analysis, and magnetic susceptibility, isothermal magnetization, and specific heat measurements. The oxide crystallizes in a double-perovskite structure with an I4/m space group, in which Os(VI) and Cu(II) are ordered in the perovskite B-site. Ba{sub 2}CuOsO{sub 6} is electrically insulating with an activation energy of 0.813(2) eV and shows antiferromagnetic-like characteristics at temperatures of ∼55 K and ∼70 K. The results of the first-principle calculation suggested that the spin–orbit interaction of Os(VI) plays a substantial role in the insulating state. The Jahn–Teller distortion of CuO{sub 6} octahedra influences the magnetic characteristics with regard to possible two-dimensional magnetic correlations. - Graphical abstract: A new compositional double perovskite oxide Ba{sub 2}CuOsO{sub 6} synthesized by a high-pressure (6 GPa) and high-temperature (1500 °C) method. - Highlights: • A new compositional double perovskite oxide Ba{sub 2}CuOsO{sub 6} was synthesized. • Ba{sub 2}CuOsO{sub 6} is electrically insulating and antiferromagnetic below ∼70 K. • The Jahn–Teller distortion of CuO{sub 6} has relevance to possible magnetic anisotropy.

  11. Accelerating Fatigue Testing for Cu Ribbon Interconnects | Department of

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

    Energy Accelerating Fatigue Testing for Cu Ribbon Interconnects Accelerating Fatigue Testing for Cu Ribbon Interconnects Presented at the 2013 Photovoltaic Module Reliability Workshop; 26-27 February 2013; Denver, Colorado 58369.pdf (3.59 MB) More Documents & Publications Thermal Cycling Combined with Dynamic Mechanical Load: Preliminary Report Physics of Failure of Electrical Interconnects Reliability of Electrical Interconnects

  12. Effect of the Keggin anions on assembly of Cu{sup I}-bis(tetrazole) thioether complexes containing multinuclear Cu{sup I}-cluster

    SciTech Connect (OSTI)

    Wang Xiuli; Gao Qiang; Tian Aixiang; Hu Hailiang; Liu Guocheng

    2012-03-15

    In order to investigate the effect of polyoxometalate (POM) on the assembly of transition metal-bis(tetrazole) thioether complexes, three new complexes based on different Keggin anions and multinuclear Cu{sup I}-cluster [Cu{sup I}{sub 12}(bmtr){sub 9}(HSiMo{sub 12}O{sub 40}){sub 4}] (1), [Cu{sup I}{sub 3}(bmtr){sub 3}(PM{sub 12}O{sub 40})] (M=W for 2; Mo for 3) (bmtr=1,3-bis(1-methyl-5-mercapto-1,2,3,4-tetrazole)propane), have been hydrothermally synthesized and characterized by routine physical methods and single crystal X-ray diffraction. In compound 1, two kinds of nanometer-scale tetranuclear subunits linked by [SiMo{sub 12}O{sub 40}]{sup 4-} polyanions assemble a (3, 4)-connected three-dimensional (3D) self-penetrating framework. Compounds 2 and 3 are isostructural, exhibiting a 1D chain with [PW{sub 12}O{sub 40}]{sup 3-}/[PMo{sub 12}O{sub 40}]{sup 3-} polyanions and trinuclear clusters arranging alternately. The distinct structural differences between these POM-based Cu{sup I}-bmtr complexes of 1 and 2/3 maybe rest on the contrast of Keggin-type polyoxometalate with different central heteroatoms, which have been discussed in detail. In addition, the electrochemical properties of the title complexes have been investigated. - Graphical abstract: Three new complexes based on different Keggin anions and multinuclear Cu{sup I}-cluster have been synthesized under hydrothermal conditions. The Keggin polyanions with different central heteroatoms play a key role. Highlights: Black-Right-Pointing-Pointer The flexible bis(tetrazole)-based thioether ligand with some advantages have been used. Black-Right-Pointing-Pointer The effect of Keggin anions with different central heteroatoms has been discussed in detail. Black-Right-Pointing-Pointer The electrochemical behaviors and electrocatalysis property have been investigated.

  13. Devitrification kinetics and phase selection mechanisms in Cu-Zr metallic glasses

    SciTech Connect (OSTI)

    Kalay, Ilkay

    2010-12-15

    research on the behaviors of glass forming alloys. Further motivation arising from the application of this system as a basis for many BMGs and ACC materials; the Cu-Zr system warrants this attention and offers great potential for the development of new materials. However, the prediction and control of microstructural evolution during devitrification remains challenging because of the complex devitrification behavior of the Cu-Zr binary alloy which is arising from the competition of metastable and stable phases and diversity of crystal structures. This dissertation details a systematic fundamental investigation into the mechanisms and kinetics of the various crystallization transformation processes involved in the overall devitrification response of Cu-Zr and Cu-Zr-Al glasses. Various isothermal and nonisothermal treatments are employed, and the structural response is characterized using bulk X-ray and thermal analysis methods as well as nanoscale microscopic analysis methods, revealing structural and chemical details down to the atomic-scale. By carefully combining techniques such as differential scanning calorimetry (DSC), in-situ synchrotron high energy X-ray diffraction (HEXRD), and transmission electron microscopy (TEM) to quantify the characterization transformations, this research has uncovered numerous details concerning the atomistic mechanisms of crystallization and has provided much new understanding related to the dominant phases, the overall reaction sequences, and the rate-controlling mechanisms. As such this work represents a substantial step forward in understanding these transformations and provides a clear framework for further progress toward ultimate application of controlled devitrification processing for the production of new materials with remarkable properties.

  14. The spin-dependent transport of Co-encapsulated Si nanotubes contacted with Cu electrodes

    SciTech Connect (OSTI)

    Guo, Yan-Dong; Yan, Xiao-Hong; Xiao, Yang

    2014-02-10

    Unlike carbon nanotubes, silicon ones are hard to form. However, they could be stabilized by metal-encapsulation. Using first-principles calculations, we investigate the spin-dependent electronic transport of Co-encapsulated Si nanotubes, which are contacted with Cu electrodes. For the finite tubes, as the tube-length increases, the transmission changes from spin-unpolarized to spin-polarized. Further analysis shows that, not only the screening of electrodes on Co's magnetism but also the spin-asymmetric Co-Co interactions are the physical mechanisms. As Cu and Si are the fundamental elements in semiconductor industry, our results may throw light on the development of silicon-based spintronic devices.

  15. Deactivation Mechanism of Cu/Zeolite SCR Catalyst Due to Reductive...

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

    Mechanism of CuZeolite SCR Catalyst Due to Reductive Hydrothermal Aging Deactivation Mechanism of CuZeolite SCR Catalyst Due to Reductive Hydrothermal Aging Better control for ...

  16. Magnetic viscosity in Ni/Cu compositionally-modulated alloys

    SciTech Connect (OSTI)

    Bennett, L.H.; Swartzendruber, L.J.; Ettedgui, H.; Atzmony, U.; Lashmore, D.S; Watson, R.E.; Brookhaven National Lab., Upton, NY )

    1989-01-01

    The existence of a magnetic aftereffect ( magnetic viscosity'') in Ni/Cu multilayered alloys was established using a vibrating sample magnetometer at room temperature and at 86 K. It was shown that the effect is strongly dependent on the step field, H{sub 2} (i.e., the value the field is reduced to after the magnetic moment has been aligned in high field) and exhibits a maximum relaxation rate for values of H{sub 2} around the reverse coercive field, {minus}H{sub c}. Aftereffect behavior of this type has been observed in other materials, though most often for systems composed of superparamagnetic particles, where the relaxation freezes out at low temperatures. In contrast, the relaxation in the CMA was shown to be enhanced at 86 K over its value at room temperature. New measurements over a wider temperature range show that the enhancement in this sample reaches a maximum near 120 K, but below that temperature the relaxation does freeze out. The temperature of maximum enhancement varies from sample to sample. 6 refs.

  17. Application of cluster-plus-glue-atom model to barrierless CuNiTi and CuNiTa films

    SciTech Connect (OSTI)

    Li, Xiaona, E-mail: lixiaona@dlut.edu.cn; Ding, Jianxin; Wang, Miao; Dong, Chuang [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Chu, Jinn P. [Department of Materials Science and Engineering, National Taiwan University of Science and Technology, Taipei 10607, Taiwan (China)

    2014-11-01

    To improve the thermal stability of copper and avoid its diffusion into surrounding dielectrics or interfacial reactions with them, the authors applied the cluster-plus-glue-atom model to investigate barrierless CuNiM (M?=?Ti or Ta) seed layers. The dissolution of the third element (Ti or Ta) in the Cu lattice with the aid of Ni significantly improved the thermal stability of the Cu seed layer. The appropriate M/Ni (M?=?Ti or Ta) ratio was selected to obtain a low resistivity: the resistivity was as low as 2.5??? cm for the (Ti{sub 1.5/13.5}Ni{sub 12/13.5}){sub 0.3}Cu{sub 99.7} film and 2.8??? cm for the (Ta{sub 1.1/13.1}Ni{sub 12/13.1}){sub 0.4}Cu{sub 99.6} film after annealing at 500?C for 1?h. After annealing at 500?C for 40?h, the two films remained stable without forming a Cu{sub 3}Si compound. The authors confirmed that the range of applications of the cluster-plus-glue-atom model could be extended. Therefore, a third element M with negative enthalpies of mixing with both Cu and Ni could be selected, under the premise that the mixing enthalpy of MNi is more negative than that of MCu.

  18. How to stabilize highly active Cu+ cations in a mixed-oxide catalyst

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

    Mudiyanselage, Kumudu; Luo, Si; Kim, Hyun You; Yang, Xiaofang; Baber, Ashleigh E.; Hoffmann, Friedrich M.; Senanayake, Sananayake; Rodriguez, Jose A.; Chen, Jingguang G.; Liu, Ping; et al

    2015-09-12

    Mixed-metal oxides exhibit novel properties that are not present in their isolated constituent metal oxides and play a significant role in heterogeneous catalysis. In this study, a titanium-copper mixed-oxide (TiCuOx) film has been synthesized on Cu(111) and characterized by complementary experimental and theoretical methods. At sub-monolayer coverages of titanium, a Cu2O-like phase coexists with TiCuOx and TiOx domains. When the mixed-oxide surface is exposed at elevated temperatures (600–650 K) to oxygen, the formation of a well-ordered TiCuOx film occurs. Stepwise oxidation of TiCuOx shows that the formation of the mixed-oxide is faster than that of pure Cu2O. As the Timore » coverage increases, Ti-rich islands (TiOx) form. The adsorption of CO has been used to probe the exposed surface sites on the TiOx–CuOx system, indicating the existence of a new Cu+ adsorption site that is not present on Cu2O/Cu(111). Adsorption of CO on Cu+ sites of TiCuOx is thermally more stable than on Cu(111), Cu2O/Cu(111) or TiO2(110). The Cu+ sites in TiCuOx domains are stable under both reducing and oxidizing conditions whereas the Cu2O domains present on sub-monolayer loads of Ti can be reduced or oxidized under mild conditions. Furthermore, the results presented here demonstrate novel properties of TiCuOx films, which are not present on Cu(111), Cu2O/Cu(111), or TiO2(110), and highlight the importance of the preparation and characterization of well-defined mixed-metal oxides in order to understand fundamental processes that could guide the design of new materials.« less

  19. Structural Analysis of the Regulatory Domain of ExsA, a Key Transcriptional Regulator of the Type Three Secretion System in Pseudomonas aeruginosa

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

    Shrestha, Manisha; Xiao, Yi; Robinson, Howard; Schubot, Florian D.

    2015-08-28

    Pseudomonas aeruginosa employs a type three secretion system to facilitate infections in mammalian hosts. The operons encoding genes of structural components of the secretion machinery and associated virulence factors are all under the control of the AraC-type transcriptional activator protein, ExsA. ExsA belongs to a unique subfamily of AraC-proteins that is regulated through protein-protein contacts rather than small molecule ligands. Prior to infection, ExsA is inhibited through a direct interaction with the anti-activator ExsD. To activate ExsA upon host cell contact this interaction is disrupted by the anti-antiactivator protein ExsC. Here we report the crystal structure of the regulatory domainmore » of ExsA, which is known to mediate ExsA dimerization as well as ExsD binding. The crystal structure suggests two models for the ExsA dimer. Both models confirmed the previously shown involvement of helix α-3 in ExsA dimerization but one also suggest a role for helix α-2. These structural data are supported by the observation that a mutation in α-2 greatly diminished the ability of ExsA to activate transcription in vitro. Lastly, additional in vitro transcription studies revealed that a conserved pocket, used by AraC and the related ToxT protein for the binding of small molecule regulators, although present in ExsA is not involved in binding of ExsD.« less

  20. System size dependence of cluster properties from two-particle angular correlations in Cu+Cu and Au+Au collisions at sq root(s{sub NN})=200 GeV

    SciTech Connect (OSTI)

    Alver, B.; Ballintijn, M.; Busza, W.; Gulbrandsen, K.; Henderson, C.; Kane, J. L.; Kulinich, P.; Li, W.; Loizides, C.; Reed, C.; Roland, C.; Roland, G.; Stephans, G. S. F.; Nieuwenhuizen, G. J. van; Vaurynovich, S. S.; Verdier, R.; Veres, G. I.; Wenger, E.; Wyslouch, B.; Back, B. B.

    2010-02-15

    We present results on two-particle angular correlations in Cu+Cu and Au+Au collisions at a center-of-mass energy per nucleon pair of 200 GeV over a broad range of pseudorapidity (eta) and azimuthal angle (phi) values as a function of collision centrality. The PHOBOS detector at the Relativistic Heavy Ion Collider has a uniquely large angular coverage for inclusive charged particles, which allows for the study of correlations on both long- and short-range scales. A complex two-dimensional correlation structure in {Delta}{eta} and {Delta}{phi} emerges, which is interpreted in the context of a cluster model. The effective cluster size and decay width are extracted from the two-particle pseudorapidity correlation functions. The effective cluster size found in semicentral Cu+Cu and Au+Au collisions is comparable to that found in proton-proton collisions but a nontrivial decrease in size with increasing centrality is observed. Moreover, a comparison of results from Cu+Cu versus Au+Au collisions shows an interesting scaling of the effective cluster size with the measured fraction of total cross section (which is related to the ratio of the impact parameter to the nuclear radius, b/2R), suggesting a geometric origin. Further analysis for pairs from restricted azimuthal regions shows that the effective cluster size at {Delta}{phi}{approx}180 deg. drops more rapidly toward central collisions than the size at {Delta}{phi}{approx}0 deg. The effect of limited {eta} acceptance on the cluster parameters is also addressed, and a correction is applied to present cluster parameters for full {eta} coverage, leading to much larger effective cluster sizes and widths than previously noted in the literature. These results should provide insight into the hot and dense medium created in heavy ion collisions.

  1. Synthesis, transport properties, and electronic structure of Cu{sub 2}CdSnTe{sub 4}

    SciTech Connect (OSTI)

    Dong, Yongkwan; Khabibullin, Artem R.; Wei, Kaya; Ge, Zhen-Hua; Woods, Lilia M. Nolas, George S.; Martin, Joshua; Salvador, James R.

    2014-06-23

    A new stannite phase was synthesized and its temperature dependent transport properties were investigated. Cu{sub 2}CdSnTe{sub 4} possesses strong p-type conduction, while the temperature dependence of the thermal conductivity exhibits typical dielectric behavior. Electronic structure calculations allowed for a description of the transport characteristics in terms the energy band structure, density of states, and Fermi surface. The potential for thermoelectric applications is also discussed.

  2. Structure and electrochemical properties of nanometer Cu substituted ?-nickel hydroxide

    SciTech Connect (OSTI)

    Bao, Jie; Zhu, Yanjuan; Zhang, Zhongju; Xu, Qingsheng; Zhao, Weiren; Chen, Jian; Zhang, Wei; Han, Quanyong

    2013-02-15

    Graphical abstract: Display Omitted Highlights: ? Cu substituted ?-nickel hydroxide was prepared by ultrasonic assisted precipitation. ? The XRD peaks are anisotropic broadening. ? The electrode for 0.9 wt.% Cu has the highest capacity of 310 mAh/g at 0.2 C. -- Abstract: Nanometer Cu-substituted ?-nickel hydroxide was synthesized by means of ultrasonic-assisted precipitation. Particle size distribution (PSD) measurement, X-ray diffraction (XRD), and high-resolution transmission electron microscope (HR-TEM) were used to characterize the physical properties of the synthesized samples. The results indicate that the average particle size of the samples is about 96110 nm and the XRD diffraction peaks are anisotropic broadening. The crystal grains are mainly polycrystal structure with columnar or needle-like morphology, containing many defects. With increase of Cu content, the shape of primary particles transform from columnar to needle-like. The influences of doping amounts of Cu on the electrochemical performance were investigated through constant current charge/discharge and cyclic voltammetric measurements. The specific capacity increases initially and then decreases with increasing Cu-doping ratio, the electrode C containing 0.9 wt.% Cu shows the maximum discharge capacity of 310 mAh/g at 0.2 C, and it has the lowest charging voltage, higher discharge voltage plateau, better cycle performance and larger proton diffusion coefficient than the other electrodes.

  3. Coupled skyrmion sublattices in Cu2OSeO3

    SciTech Connect (OSTI)

    Langner, M.C.; Roy,, S.; Mishra, S. K.; Lee, J. C. T.; Shi,, X. W.; Hossain, M. A.; Chuang, Y.-D.; Seki, S.; Tokura, Y.; Kevan, S. D.; Schoenlein, R. W.

    2014-04-18

    We report the observation of a skyrmion lattice in the chiral multiferroic insulator Cu2OSeO3 using Cu L3-edge resonant soft x-ray diffraction. We observe the unexpected existence of two distinct skyrmion sub-lattices that arise from inequivalent Cu sites with chemically identical coordination numbers but different magnetically active orbitals . The skyrmion sublattices are rotated with respect to each other implying a long wavelength modulation of the lattice. The modulation vector is controlled with an applied magnetic field, associating this Moir'e-like phase with a continuous phase transition. Our findings will open a new class of science involving manipulation of quantum topological states.

  4. Manipulating Stress in Cu/low-k Dielectric Nanocomposites

    SciTech Connect (OSTI)

    C Murray; P Besser; E Ryan; J Jordan-Sweet

    2011-12-31

    The interaction of x-rays with organic dielectric materials, which alters their mechanical properties, affects values of stress generated within encapsulated Cu structures. In particular, the evolution of stress within submicron Cu interconnect structures encapsulated by an organosilicate glass can be investigated in situ using synchrotron-based x-ray diffraction. The overall geometry of the composite, along with the amount of irradiation, dictates the change in stress of the Cu features. A quantitative comparison of these findings to mechanical modeling results reveals two modes of modification within the dielectric film: a densification that changes the effective eigenstrain followed by an increase in elastic modulus.

  5. Methanol conversion to light olefins over nanostructured CeAPSO-34 catalyst: Thermodynamic analysis of overall reactions and effect of template type on catalytic properties and performance

    SciTech Connect (OSTI)

    Aghamohammadi, Sogand; Haghighi, Mohammad; Charghand, Mojtaba

    2014-02-01

    Graphical abstract: In this research nanostructured CeAPSO-34 was synthesized to explore the effect of TEAOH and morpholine on its physiochemical properties and MTO performance. Prepared catalysts were characterized with XRD, FESEM, BET, FTIR and NH3-TPD techniques. The results indicated that the nature of the template determines the physiochemical properties of CeAPSO-34 due to different rate of crystal growth. The catalyst obtained by using morpholine showed longer life time as well as sustaining light olefins selectivity at higher values. Furthermore, a comprehensive thermodynamic analysis of overall reactions network was carried out to address the major channels of methanol to olefins conversion. - Highlights: • Introduction of Ce into SAPO-34 framework. • Comparison of CeAPSO-34 synthesized using morpholine and TEAOH. • The nature of the template determines the physiochemical properties of CeAPSO-34. • Morpholine enhances catalyst lifetime in MTO process. • Presenting a complete reaction network for MTO process. - Abstract: TEAOH and morpholine were employed in synthesis of nanostructured CeAPSO-34 molecular sieve and used in methanol to olefins conversion. Prepared samples were characterized by XRD, FESEM, EDX, BET, FTIR and NH{sub 3}-TPD techniques. XRD patterns reflected the higher crystallinity of the catalyst synthesized with morpholine. The FESEM results indicated that the nature of the template determines the morphology of nanostructured CeAPSO-34 due to different rate of crystal growth. There was a meaningful difference in the strength of both strong and weak acid sites for CeAPSO-34 catalysts synthesized with TEAOH and morpholine templates. The catalyst synthesized with morpholine showed higher desorption temperature of both weak and strong acid sites evidenced by NH{sub 3}-TPD characterization. The catalyst obtained using morpholine template had the longer lifetime and sustained desired light olefins at higher values. A comprehensive

  6. Colloidal synthesis and characterization of carbon-supported Pd-Cu nanoparticle oxygen reduction electrocatalysts.

    SciTech Connect (OSTI)

    Kariuki, N. N.; Wang, X.; Mawdsley, J. R.; Ferrandon, M. S.; Niyogi, S. G.; Vaughey, J. T.; Myers, D. J.; Chemical Sciences and Engineering Division

    2010-07-27

    The ability to control the size and composition of metal or alloys nanoparticles is important in preparing catalysts. This paper reports a colloidal synthesis methodology for the preparation of monodisperse palladium-copper (Pd-Cu) alloy nanoparticles with an average diameter of 3 nm for the as-prepared particles and 5-10 nm upon removal of the capping agents. Our approach involves the use of metal precursors, capping agents, and reducing agents in controlled ratios for nanoparticle formation in a single organic phase, followed by deposition of the capped nanoparticles on high surface area carbon and removal of the capping agents via heat treatment in either oxidizing or reducing atmosphere. The results of characterizations using transmission electron microscopy-energy dispersive X-ray analysis (TEM-EDX), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR), temperature programmed oxidation and reduction combined with mass spectrometry (TPO/TPR-MS), powder X-ray diffraction (XRD), and cyclic voltammetry (CV) are discussed. The resulting high-surface-area-carbon-supported Pd-Cu catalysts (PdCu/C) showed high activity for the oxygen reduction reaction (ORR) in acidic electrolyte. Our study revealed composition and heat-treatment dependent ORR activity.

  7. Role of Cu-Ion Doping in Cu-α-MnO2 Nanowire Electrocatalysts for the Oxygen Reduction Reaction

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

    Davis, Danae J.; Lambert, Timothy N.; Vigil, Julian A.; Rodriguez, Mark A.; Brumbach, Michael T.; Coker, Eric N.; Limmer, Steven J.

    2014-07-09

    The role of Cu-ion doping in α-MnO2 electrocatalysts for the oxygen reduction reaction in alkaline electrolyte was investigated. Copper doped α-MnO2 nanowires (Cu-α-MnO2) were prepared with varying amounts of Cu2+ using a solvothermal method. The electrocatalytic dataindicates that Cu-α-MnO2 nanowires have higher terminal current densities, enhanced kinetic rate constants, and improved charge transfer resistances that trend with Cu-content, exceeding values attained by α-MnO2 alone. The observed improvement in catalytic behavior correlates with an increase in Mn3+ content for the Cu-α-MnO2 nanowires. The Mn3+/Mn4+ couple is themediator for the rate-limiting redox driven O2-/OH- exchange. It is proposed that O2 adsorbs viaanmore » axial site (the eg orbital on the Mn3+ d4 ion) at the surface, or at edge defects, of the nanowireand that the increase in covalent nature of the nanowire with Cu-ion doping leads to stabilization of O2 adsorbates and faster rates of reduction. This work is applicable to other manganese oxide electrocatalysts and shows for the first time there is a correlation for manganese oxides between electrocatalytic activity for the ORR in alkaline electrolyte and an increase in Mn3+ character of the oxide.« less

  8. Magnetic properties of CuFe{sub 1−x}Cr{sub x}O{sub 2} nanoparticles surrounded by amorphous SiO{sub 2}

    SciTech Connect (OSTI)

    Mori, K.; Hachisu, M.; Yamazaki, T.; Ichiyanagi, Y.

    2015-05-07

    CuFe{sub 1−x}Cr{sub x}O{sub 2} (0 ≤ x ≤ 1.0) nanoparticles surrounded by amorphous SiO{sub 2} with an average diameter of 30–50 nm were synthesized using a wet chemical method. The annealing temperatures were controlled to yield various sizes of single-phase CuFe{sub 1−x}Cr{sub x}O{sub 2} nanoparticles. CuFeO{sub 2} bulk crystal is known to have a multiferroic delafossite structure with two Néel temperatures of 11 and 14 K; however, the transition temperature shifted higher as the Cr–ion doping level increased. In addition, the lattice constants decreased in accordance with increased Cr-ion doping, which was confirmed by X-ray diffraction measurements. The magnetization curves showed weak ferromagnetic behavior and no coercivity was observed. Hence, frustration in the triangular lattice of the delafossite structure can be released by Cr–ion doping and higher magnetization can be expected. A fine structure analysis through X-ray absorption fine structure measurements was also conducted. It was found that the structure of the Cu ion is similar to that of Cu{sub 2}O, and the c axis of the CuFe{sub 1−x}Cr{sub x}O{sub 2} should be shortened by the Cr–ion doping.

  9. Yb-Zn-Al ternary system: CaCu{sub 5}-type derived compounds in...

    Office of Scientific and Technical Information (OSTI)

    Chimica Fisica, Universita di Genova, Via Dodecaneso 31, 16146 Genova (Italy). E-mail: cfmet@chimica.unige.it Dipartimento di Chimica e Chim. Ind., Sezione di Chimica Fisica, ...

  10. Method for isotopic analysis of chlorinated organic compounds

    DOE Patents [OSTI]

    Holt, Ben D.; Sturchio, Neil C.

    1999-01-01

    The present invention provides a method for preparing a VOC sample for carbon and chlorine isotope ratio analysis by mass spectrometer. A VOC sample is placed in a combustion tube and reacted with CuO to form CO.sub.2 and CuCl. The CO.sub.2 is then extracted and analyzed for the carbon isotope ratio. The CuCl is separated from the excess CuO and reacted with CH.sub.3 I to form CH.sub.3 Cl, extracted and analyzed for chlorine isotope ratio.