National Library of Energy BETA

Sample records for metal oxo bonds

  1. Trending: Metal Oxo Bonds

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

    Trending: Metal Oxo Bonds Trending: Metal Oxo Bonds Print Wednesday, 29 May 2013 00:00 Metal oxides are important for scientific and technical applications in a variety of...

  2. Trending: Metal Oxo Bonds

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effectWorking With U.S.WeekProducts >TransportationEHSSTrending: Metal Oxo Bonds

  3. Trending: Metal Oxo Bonds

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home RoomPreservationBio-Inspired SolarAbout / TransformingTransuranic Waste RetrievalTrending: Metal Oxo

  4. Trending: Metal Oxo Bonds

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effectWorking With U.S.WeekProducts >TransportationEHSSTrending: Metal Oxo

  5. Trending: Metal Oxo Bonds

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home RoomPreservationBio-Inspired SolarAbout / TransformingTransuranic Waste RetrievalTrending: Metal

  6. Trending: Metal Oxo Bonds

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effectWorking With U.S.WeekProducts >TransportationEHSS A-ZTravisTrending: Metal

  7. Trending: Metal Oxo Bonds

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effectWorking With U.S.WeekProducts >TransportationEHSS A-ZTravisTrending:

  8. Trending: Metal Oxo Bonds

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effectWorking With U.S.WeekProducts >TransportationEHSS

  9. Method of bonding metals to ceramics

    DOE Patents [OSTI]

    Maroni, V.A.

    1991-04-23

    A ceramic or glass having a thin layer of silver, gold or alloys thereof at the surface thereof is disclosed. A first metal is bonded to the thin layer and a second metal is bonded to the first metal. The first metal is selected from the class consisting of In, Ga, Sn, Bi, Zn, Cd, Pb, Tl and alloys thereof, and the second metal is selected from the class consisting of Cu, Al, Pb, Au and alloys thereof. 3 figures.

  10. Method of bonding metals to ceramics

    DOE Patents [OSTI]

    Maroni, Victor A. (Naperville, IL)

    1991-01-01

    A ceramic or glass having a thin layer of silver, gold or alloys thereof at the surface thereof. A first metal is bonded to the thin layer and a second metal is bonded to the first metal. The first metal is selected from the class consisting of In, Ga, Sn, Bi, Zn, Cd, Pb, Tl and alloys thereof, and the second metal is selected from the class consisting of Cu, Al, Pb, An and alloys thereof.

  11. FUNDAMENTALS OF WETTING AND BONDING BETWEEN CERAMICS AND METALS

    E-Print Network [OSTI]

    Pask, J.A.

    2010-01-01

    WETTING AND BONDING BETWEEN CERAMICS AND METALS Jo s eph A.OF WETTING AND BONDING BETWEEN CERAMICS AND METALS Joseph A.and glass-to-metal or ceramic-to-metal seals. Both physical

  12. Review of Direct Metal Bonding for Microelectronic Interconnections

    E-Print Network [OSTI]

    Zhang, G.G.

    Microelectronic interconnections require advanced joining techniques. Direct metal bonding methods, which include thercomsonic and thermocompression bonding, offer remarkable advantages over soldering and adhesives joining. ...

  13. Non-Destructive Inspection of Adhesive Bonds in Metal-Metal Joints...

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

    Inspection of Adhesive Bonds in Metal-Metal Joints Non-Destructive Inspection of Adhesive Bonds in Metal-Metal Joints 2009 DOE Hydrogen Program and Vehicle Technologies Program...

  14. Synthesis and Properties of a Molecular Dumbbell with Bis-4-oxo Copper(II/I) Hepta Metal Centers Mi Young Han, Kil Sik Min, and Myunghyun Paik Suh*

    E-Print Network [OSTI]

    Paik Suh, Myunghyun

    Synthesis and Properties of a Molecular Dumbbell with Bis-µ4-oxo Copper(II/I) Hepta Metal Centers to their interesting structures as well as potential applications as nanoscale molecular devices1,2 and new inorganic magnetic materials that can be applied to memory devices.3-5 Especially the polynuclear copper complexes

  15. Covalency in Metal-Oxygen Multiple Bonds Evaluated Using Oxygen K-edge Spectroscopy and Electronic Structure Theory

    SciTech Connect (OSTI)

    Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R.; Boland, Kevin S.; Bradley, Joseph A.; Daly, Scott R.; Kozimor, Stosh A.; Lukens, Wayne W.; Martin, Richard L.; Nordlund, Dennis; Seidler, Gerald T.; Shuh, David K.; Sokaras, Dimosthenis; Tyliszczak, Tolek; Wagner, Gregory L.; Weng, Tsu-Chein; Yang, Ping

    2014-01-01

    Advancing theories of how metal oxygen bonding influences metal oxo properties can expose new avenues for innovation in materials science, catalysis, and biochemistry. Historically, spectroscopic analyses of the transition metal peroxyanions, MO4x-, have formed the basis for new M O bonding theories. Herein, relative changes in M O orbital mixing in MO42- (M = Cr, Mo, W) and MO41- (M = Mn, Tc, Re) are evaluated for the first time by non-resonant inelastic X-ray scattering, X-ray absorption spectroscopy using fluorescence and transmission (via a scanning transmission X-ray microscope), and linear-response density functional theory. The results suggest that moving from Group 6 to Group 7 or down the triads increases M O e () mixing. Meanwhile, t2 mixing ( + ) remains relatively constant within the same Group. These unexpected changes in frontier orbital energy and composition are evaluated in terms of periodic trends in d orbital energy and radial extension.

  16. Thermal barrier and overlay coating systems comprising composite metal/metal oxide bond coating layers

    DOE Patents [OSTI]

    Goedjen, John G. (Oviedo, FL); Sabol, Stephen M. (Orlando, FL); Sloan, Kelly M. (Longwood, FL); Vance, Steven J. (Orlando, FL)

    2001-01-01

    The present invention generally describes multilayer coating systems comprising a composite metal/metal oxide bond coat layer. The coating systems may be used in gas turbines.

  17. METAL NANOPARTICLES FUNCTIONALIZED WITH METAL-LIGAND COVALENT BONDS

    E-Print Network [OSTI]

    Kang, Xiongwu

    2012-01-01

    Formation of catalytic metal-molecule contacts. Science,of Organotransition Metal Compounds. Advances inof highly monodisperse metal nanoparticles. Journal of the

  18. Metal-and hydrogen-bonding competition during water absorption on Pd(111) and Ru(0001)

    E-Print Network [OSTI]

    Tatarkhanov, Mouslim

    2010-01-01

    Metal- and hydrogen-bonding competition during waterthe molecules bind to the metal substrate through the O-loneplane perpendicular to the metal surface with reduced water-

  19. Covalency in Metal-Oxygen Multiple Bonds Evaluated Using Oxygen K-edge Spectroscopy and Electronic Structure Theory

    SciTech Connect (OSTI)

    Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R.; Boland, Kevin S.; Bradley, Joseph A.; Daly, Scott R.; Kozimor, Stosh A.; Lukens, Wayne W.; Martin, Richard L.; Nordlund, Dennis; Seidler, Gerald T.; Shuh, David K.; Sokaras, Dimosthenis; Tyliszczak, Tolek; Wagner, Gregory L.; Weng, Tsu-Chien; Yang, Ping

    2013-01-28

    Advancing theories of how metal-oxygen bonding influences metal oxo properties can expose new avenues for innovation in materials science, catalysis, and biochemistry. Historically, spectroscopic analyses of the transition metal MO4x- anions have formed the basis for new M-O bonding theories. Herein, relative changes in M-O orbital mixing in MO42- (M = Cr, Mo, W) and MO4- (M = Mn, Tc, Re) are evaluated for the first time by nonresonant inelastic X-ray scattering, X-ray absorption spectroscopy using fluorescence and transmission (via a scanning transmission X-ray microscope), and time-dependent density functional theory. The results suggest that moving from Group 6 to Group 7 or down the triads increases M-O e* (pi*) mixing; for example, it more than doubles in ReO4- relative to CrO42-. Mixing in the t(2)* orbitals (sigma* + pi*) remains relatively constant within the same Group, but increases on moving from Group 6 to Group 7. These unexpected changes in orbital energy and composition for formally isoelectronic tetraoxometalates are evaluated in terms of periodic trends in d orbital energy and radial extension.

  20. Actuated Transitory Metal-Ligand Bond As Tunable Electromechanical Switch

    E-Print Network [OSTI]

    Ortega, Enrique

    a copper atom and coordinating organic molecules adsorbed on a metal surface acts as variable frequency of STM is the on-demand forma- tion and breaking of chemical bonds with atomic precision. Furthermore-vinyl)] benzoic acid (hereafter referred to as PVBA) with copper adatoms on the Cu (111) surface.26

  1. Bimetallic cleavage of aromatic C-H bonds by rare-earth-metal complexes

    E-Print Network [OSTI]

    Huang, W; Huang, W; Dulong, F; Khan, SI; Cantat, T; Diaconescu, PL

    2014-01-01

    of Aromatic C-H Bonds by Rare Earth Metal Complexes Wenliangone week prior to use. Rare earth metal oxides (scandium,

  2. Carbon-Fluorine Bond Cleavage by Zirconium Metal Hydride Complexes

    E-Print Network [OSTI]

    Jones, William D.

    Carbon-Fluorine Bond Cleavage by Zirconium Metal Hydride Complexes Brian L. Edelbach, A. K. Fazlur, Rochester, New York 14627 Received April 8, 1999 The zirconium hydride dimer [Cp2ZrH2]2 reacts with C6F6. [Cp2ZrH2]2 reacts with C6F5H to give Cp2Zr(p-C6F4H)F, Cp2ZrF2, C6F4H2, and H2. The zirconium hydride

  3. Ligand field considerations for the reactivity of high valent metal-oxo complexes and of bimetallic HX splitting photocatalysts

    E-Print Network [OSTI]

    Chambers, Matthew Burke

    2013-01-01

    Inorganic molecular complexes are used to probe mechanistic steps in two reaction reactions related to energy storage. The first reaction considered is the O-O bond formation step required for water oxidation to oxygen. ...

  4. Modeling the metal-semiconductor interaction: Analytical bond-order potential for platinum-carbon

    E-Print Network [OSTI]

    Nordlund, Kai

    Modeling the metal-semiconductor interaction: Analytical bond-order potential for platinum for this potential makes use of the fact that chemical bonding in both covalent systems and d-transition metals can for describing the C-C/Pt-Pt/Pt-C interactions. It resembles, in the case of the pure metal interaction

  5. Tuning the Metal-Adsorbate Chemical Bond through the Ligand Effect...

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

    Tuning the Metal-Adsorbate Chemical Bond through the Ligand Effect on Platinum Subsurface Alloys Tuesday, July 31, 2012 The ability to design and control the activities of...

  6. An Investigation of Bonding Mechanism in Metal Cladding by Warm Rolling 

    E-Print Network [OSTI]

    Yang, Wei

    2012-02-14

    Clad metals are extensively used for their multi-functionality and their optimal combination of quality and cost. Roll bonding is an effective and economic processing approach to making clad metals. This dissertation ...

  7. Direct-Coupling O? Bond Forming Pathway in Cobalt Oxide Water Oxidation Catalysts

    E-Print Network [OSTI]

    Wang, Lee-Ping

    We report a catalytic mechanism for water oxidation in a cobalt oxide cubane model compound, in which the crucial O–O bond formation step takes place by direct coupling between two CoIV(O) metal oxo groups. Our results are ...

  8. Electrostatic Cooperativity of Hydroxyl Groups at Metal Oxide Surfaces

    SciTech Connect (OSTI)

    Boily, Jean F.; Lins, Roberto D.

    2009-09-24

    The O-H bond distribution of hydroxyl groups at the {110} goethite (R-FeOOH) surface was investigated by molecular dynamics. This distribution was strongly affected by electrostatic interactions with neighboring oxo and hydroxo groups. The effects of proton surface loading, simulated by emplacing two protons at different distances of separation, were diverse and generated several sets of O-H bond distributions. DFT calculations of a representative molecular cluster were also carried out to demonstrate the impact of these effects on the orientation of oxygen lone pairs in neighboring oxo groups. These effects should have strong repercussions on O-H stretching vibrations of metal oxide surfaces.h

  9. Metal Catalyzed sp2 Bonded Carbon - Large-scale Graphene Synthesis...

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

    Metal Catalyzed sp2 Bonded Carbon - Large-scale Graphene Synthesis and Beyond December 1, 2009 at 3pm36-428 Peter Sutter Center for Functional Nanomaterials sutter abstract:...

  10. Method of bonding metals to ceramics and other materials

    DOE Patents [OSTI]

    Gruen, D.M.; Krauss, A.R.; DeWald, A.P.; Chienping Ju; Rigsbee, J.M.

    1993-01-05

    A composite and method of forming same wherein the composite has a non-metallic portion and an alloy portion wherein the alloy comprises an alkali metal and a metal which is an electrical conductor such as Cu, Ag, Al, Sn or Au and forms an alloy with the alkali metal. A cable of superconductors and composite is also disclosed.

  11. Liquid Metal Bond for Improved Heat Transfer in LWR Fuel Rods

    SciTech Connect (OSTI)

    Donald Olander

    2005-08-24

    A liquid metal (LM) consisting of 1/3 weight fraction each of Pb, Sn, and Bi has been proposed as the bonding substance in the pellet-cladding gap in place of He. The LM bond eliminates the large AT over the pre-closure gap which is characteristic of helium-bonded fuel elements. Because the LM does not wet either UO2 or Zircaloy, simply loading fuel pellets into a cladding tube containing LM at atmospheric pressure leaves unfilled regions (voids) in the bond. The HEATING 7.3 heat transfer code indicates that these void spaces lead to local fuel hot spots.

  12. FUNDAMENTALS OF WETTING AND BONDING BETWEEN CERAMICS AND METALS

    E-Print Network [OSTI]

    Pask, J.A.

    2010-01-01

    the interface. a definite oxide layer remains, adherence onapplied glass. A discrete oxide layer, however, can affectLoss of substrate metal oxide layer at the interface results

  13. TRANSITION METAL ACTIVATION AND FUNCTIONALIZATION OF CARBON-HYDROGEN BONDS

    E-Print Network [OSTI]

    Jones, William D.

    . The success includes not only several new nickel, palladium, and platinum based metal systems of the type [M vs. dissociation vs. migration down the alkyl chain. By using deuterium labeling, we have been able

  14. Anion Binding in Metal-Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups

    SciTech Connect (OSTI)

    Custelcean, Radu; Moyer, Bruce A; Bryantsev, Vyacheslav S.; Hay, Benjamin P.

    2006-01-01

    A series of metal-organic frameworks (MOFs) functionalized with urea hydrogen-bonding groups has been synthesized and structurally analyzed by single-crystal X-ray diffraction to evaluate the efficacy of anion coordination by urea within the structural constraints of the MOFs. We found that urea-based functionalities may be used for anion binding within metal-organic frameworks when the tendency for urea{hor_ellipsis}urea self-association is decreased by strengthening the intramolecular CH{hor_ellipsis}O hydrogen bonding of N-phenyl substituents to the carbonyl oxygen atom. Theoretical calculations indicate that N,N'-bis(m-pyridyl)urea (BPU) and N,N'-bis(m-cyanophenyl)urea (BCPU) should have enhanced hydrogen-bonding donor abilities toward anions and decreased tendencies to self-associate into hydrogen-bonded tapes compared to other disubstituted ureas. Accordingly, BPU and BCPU were incorporated in MOFs as linkers through coordination of various Zn, Cu, and Ag transition metal salts, including Zn(ClO{sub 4}){sub 2}, ZnSO{sub 4}, Cu(NO{sub 3}){sub 2}, Cu(CF{sub 3}SO{sub 3}){sub 2}, AgNO{sub 3}, and AgSO{sub 3}CH{sub 3}. Structural analysis by single-crystal X-ray diffraction showed that these linkers are versatile anion binders, capable of chelate hydrogen bonding to all of the oxoanions explored. Anion coordination by the urea functionalities was found to successfully compete with urea self-association in all cases except for that of charge-diffuse perchlorate.

  15. Mechanical properties, glass transition temperature, and bond enthalpy trends of high metalloid Fe-based bulk metallic glasses

    E-Print Network [OSTI]

    Widom, Michael

    Mechanical properties, glass transition temperature, and bond enthalpy trends of high metalloid Fe December 2007; accepted 8 April 2008; published online 25 April 2008 Mechanical properties and glass plastic strain of 3% is obtained, despite the increase in the number of strong metal-metalloid bonds. Also

  16. Metal-to-Metal Silyl Migration and Silicon-Carbon Bond Cleavage/Re-formation Processes in the Methylene/Silyl

    E-Print Network [OSTI]

    Girolami, Gregory S.

    -temperature process is the reversible re-formation of the C-Si bond between the silyl group and the bridging methylene for reformation of the C-Si bond is consistent with a noncrowded transition state in which the solvent migration processes in transition metal complexes are of current interest because of their role in catalytic

  17. High-temperature, high-pressure bonding of nested tubular metallic components

    DOE Patents [OSTI]

    Quinby, Thomas C. (Kingston, TN)

    1980-01-01

    This invention is a tool for effecting high-temperature, high-compression bonding between the confronting faces of nested, tubular, metallic components. In a typical application, the tool is used to produce tubular target assemblies for irradiation in nuclear reactors or particle accelerators, the target assembly comprising a uranium foil and an aluminum-alloy substrate. The tool preferably is composed throughout of graphite. It comprises a tubular restraining member in which a mechanically expandable tubular core is mounted to form an annulus with the member. The components to be bonded are mounted in nested relation in the annulus. The expandable core is formed of individually movable, axially elongated segments whose outer faces cooperatively define a cylindrical pressing surface and whose inner faces cooperatively define two opposed, inwardly tapered, axial bores. Tapered rams extend respectively into the bores. The loaded tool is mounted in a conventional hot-press provided with evacuation means, heaters for maintaining its interior at bonding temperature, and hydraulic cylinders for maintaining a selected inwardly directed pressure on the tapered rams. With the hot-press evacuated and the loaded tool at the desired temperature, the cylinders are actuated to apply the selected pressure to the rams. The rams in turn expand the segmented core to maintain the nested components in compression against the restraining member. These conditions are maintained until the confronting faces of the nested components are joined in a continuous, uniform bond characterized by high thermal conductivity.

  18. Nanoscale metals and semiconductors for the storage of solar energy in chemical bonds

    E-Print Network [OSTI]

    Manthiram, Karthish

    2015-01-01

    for the storage of solar energy in chemical bonds Byfor the storage of solar energy in chemical bonds Copyrightfor the storage of solar energy in chemical bonds By

  19. Anion Coordination in Metal-Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups

    SciTech Connect (OSTI)

    Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav; Hay, Benjamin P.

    2005-12-15

    A series of metal-organic frameworks (MOFs) functionalized with urea hydrogen-bonding groups have been designed, synthesized, and structurally analyzed by single crystal X-ray diffraction to evaluate the efficacy of anion binding within the structural constraints of the MOFs. We found that urea-based functionalities may be used for anion binding within metal-organic frameworks when the tendency for urea???urea self-association is decreased by strengthening the intramolelcular CH???O hydrogen bonding of N-phenyl substituents to the carbonyl oxygen atom. Theoretical calculations indicate that N,N?-bis(m-pyridyl)urea (BPU) and N,N?-bis(m-cyanophenyl)urea (BCPU) should have enhanced hydrogen-bonding donor abilities toward anions and decreased tendencies to self-associate into hydrogen-bonded chains compared to other disubstituted ureas. Accordingly, BPU and BCPU were incorporated in MOFs as linkers through coordination of various Zn, Cu, and Ag transition metal salts, including Zn(ClO4)2, ZnSO4, Cu(NO3)2, Cu(CF3SO3)2, AgNO3 and AgSO3CH3. Structural analysis by single-crystal X-ray diffraction showed that these linkers are versatile anion binders, capable of chelate hydrogen bonding to all of the oxoanions explored. Anion binding by the urea functionalities was found to successfully compete with urea self-association in all cases except for that of charge-diffuse perchlorate. This research was sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy, under contract number DE-AC05-00OR22725 with Oak Ridge National Laboratory (managed by UT-Battelle, LLC), and performed at Oak Ridge National laboratory and Pacific Northwest National Laboratory (managed by Battelle for the U.S. Department of Energy under contract DE-AC05-76RL01830). This research was performed in part using the Molecular Science Computing Facility (MSCF) in the William R. Wiley Environmental Molecular Sciences laboratory, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory.

  20. Benzene Adsorbed on Metals: Concerted Effect of Covalency and van der Waals Bonding

    E-Print Network [OSTI]

    Liu, Wei; Santra, Biswajit; Michaelides, Angelos; Scheffler, Matthias; Tkatchenko, Alexandre

    2012-01-01

    The adsorption of aromatic molecules on metal surfaces plays a key role in condensed matter physics and functional materials. Depending on the strength of the interaction between the molecule and the surface, the binding is typically classified as either physisorption or chemisorption. Van der Waals (vdW) interactions contribute significantly to the binding in physisorbed systems, but the role of the vdW energy in chemisorbed systems remains unclear. Here we study the interaction of benzene with the (111) surface of transition metals, ranging from weak adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When vdW interactions are accurately accounted for, the barrier to adsorption predicted by standard density functional calculations essentially vanishes, producing a metastable precursor state on Pt and Ir surfaces. Notably, vdW forces contribute more to the binding of covalently bonded benzene than they do when benzene is physisorbed.

  1. A coordinatively saturated sulfate encapsulated in a metal-organic framework functionalized with urea hydrogen-bonding groups

    SciTech Connect (OSTI)

    Custelcean, Radu; Moyer, Bruce A.; Hay, Benjamin P.

    2005-10-14

    A functional coordination polymer decorated with urea hydrogen-bonding donor groups has been designed for optional binding of sulfate; self-assembly of a tripodal tri-urea linker with Ag2SO4 resulted in the formation of a 1D metal-organic framework that encapsulated SO42- anions via twelve complementary hydrogen bonds, which represents the highest coordination number observed for sulfate in a natural or synthetic host.

  2. A coordinatively saturated sulfate encapsulated in a metal-organic framework functionalized with urea hydrogen-bonding groups

    SciTech Connect (OSTI)

    Custelcean, Radu; Moyer, Bruce A; Hay, Benjamin

    2005-01-01

    A functional coordination polymer decorated with urea hydrogen-bonding donor groups has been designed for optimal binding of sulfate; self-assembly of a tripodal tris-urea linker with Ag2SO4 resulted in the formation of a 1D metal - organic framework that encapsulates SO42- anions via twelve complementary hydrogen bonds, which represents the highest coordination number observed for sulfate in a natural or synthetic host.

  3. A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions

    E-Print Network [OSTI]

    Truhlar, Donald G

    A new local density functional for main-group thermochemistry, transition metal bonding online 15 November 2006 We present a new local density functional, called M06-L, for main is designed to capture the main dependence of the exchange-correlation energy on local spin density, spin

  4. PHYSICAL REVIEW B 86, 245405 (2012) Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding

    E-Print Network [OSTI]

    Alavi, Ali

    2012-01-01

    PHYSICAL REVIEW B 86, 245405 (2012) Benzene adsorbed on metals: Concerted effect of covalency, but the role of the vdW energy in chemisorbed systems remains unclear. Here we study the interaction of benzene of covalently bonded benzene than they do when benzene is physisorbed. Comparison to experimental data

  5. Multilayered thermal insulation formed of zirconia bonded layers of zirconia fibers and metal oxide fibers and method for making same

    DOE Patents [OSTI]

    Wrenn, G.E. Jr.; Holcombe, C.E. Jr.

    1988-09-13

    A multilayered thermal insulating composite is formed of a first layer of zirconia-bonded zirconia fibers for utilization near the hot phase or surface of a furnace or the like. A second layer of zirconia-bonded metal oxide fibers is attached to the zirconia fiber layer by a transition layer formed of intermingled zirconia fibers and metal oxide fibers. The thermal insulation is fabricated by vacuum molding with the layers being sequentially applied from aqueous solutions containing the fibers to a configured mandrel. A portion of the solution containing the fibers forming the first layer is intermixed with the solution containing the fibers of the second layer for forming the layer of mixed fibers. The two layers of fibers joined together by the transition layer are saturated with a solution of zirconium oxynitrate which provides a zirconia matrix for the composite when the fibers are sintered together at their nexi.

  6. Multilayered thermal insulation formed of zirconia bonded layers of zirconia fibers and metal oxide fibers and method for making same

    DOE Patents [OSTI]

    Wrenn, Jr., George E. (Clinton, TN); Holcombe, Jr., Cressie E. (Farragut, TN)

    1988-01-01

    A multilayered thermal insulating composite is formed of a first layer of zirconia-bonded zirconia fibers for utilization near the hot phase or surface of a furnace or the like. A second layer of zirconia-bonded metal oxide fibers is attached to the zirconia fiber layer by a transition layer formed of intermingled zirconia fibers and metal oxide fibers. The thermal insulation is fabricated by vacuum molding with the layers being sequentially applied from aqueous solutions containing the fibers to a configured mandrel. A portion of the solution containing the fibers forming the first layer is intermixed with the solution containing the fibers of the second layer for forming the layer of mixed fibers. The two layers of fibers joined together by the transition layer are saturated with a solution of zirconium oxynitrate which provides a zirconia matrix for the composite when the fibers are sintered together at their nexi.

  7. Simple bond-order-type interatomic potential for an intermixed Fe-Cr-C system of metallic and covalent bondings in heat-resistant ferritic steels

    SciTech Connect (OSTI)

    Kumagai, Tomohisa Nakamura, Kaoru; Yamada, Susumu; Ohnuma, Toshiharu

    2014-12-28

    It is known that M{sub 23}C{sub 6}(M?=?Cr/Fe) behavior in heat-resistant ferritic steels affects the strength of the material at high temperature. The ability to garner direct information regarding the atomic motion using classical molecular dynamics simulations is useful for investigating the M{sub 23}C{sub 6} behavior in heat-resistant ferritic steels. For such classical molecular dynamics calculations, a suitable interatomic potential is needed. To satisfy this requirement, an empirical bond-order-type interatomic potential for Fe-Cr-C systems was developed because the three main elements to simulate the M{sub 23}C{sub 6} behavior in heat-resistant ferritic steels are Fe, Cr, and C. The angular-dependent term, which applies only in non-metallic systems, was determined based on the similarity between a Finnis-Sinclair-type embedded-atom-method interatomic potential and a Tersoff-type bond-order potential. The potential parameters were determined such that the material properties of Fe-Cr-C systems were reproduced. These properties include the energy and lattice constants of 89 crystal structures; the elastic constants of four realistic precipitates; the bulk moduli of B1, B2, and B3 crystals; the surface energies of B1 and B2 crystals; and the defect-formation energies and atomic configurations of 66 Fe-Cr-C complexes. Most of these material properties were found to be reproduced by our proposed empirical bond-order potentials. The formation energies and lattice constants of randomly mixed Fe-Cr alloys calculated using the interatomic potentials were comparable to those obtained through experiments and first-principles calculations. Furthermore, the energies and structures of interfaces between Cr carbide and ?-Fe as predicted through first-principles calculations were well reproduced using these interatomic potentials.

  8. Mechanistic studies on metal-catalyzed carbon-nitrogen bond forming reactions

    E-Print Network [OSTI]

    Strieter, Eric R

    2005-01-01

    Mechanistic studies on copper and palladium-catalyzed C-N bond forming reactions are described. To understand the mechanistic details of these processes, several principles of physical organic chemistry have been employed. ...

  9. Carbon–Oxygen Bond Formation via Organometallic Baeyer–Villiger Transformations: A Computational Study on the Impact of Metal Identity

    SciTech Connect (OSTI)

    Figg, Travis M. [Univ. of North Texas, Denton, TX (United States). Dept. of Chemistry and Center for Advanced Scientific Computing and Modeling; Webb, Joanna R. [Univ. of Virginia, Charlottesville, VA (United States). Dept. of Chemistry; Cundari, Thomas R. [Univ. of North Texas, Denton, TX (United States). Dept. of Chemistry and Center for Advanced Scientific Computing and Modeling; Gunnoe, T. Brent [Univ. of Virginia, Charlottesville, VA (United States). Dept. of Chemistry

    2012-02-01

    Metal-mediated formation of C–O bonds is an important transformation that can occur by a variety of mechanisms. Recent studies suggest that oxygen-atom insertion into metal–hydrocarbyl bonds in a reaction that resembles the Baeyer–Villiger transformation is a viable process. In an effort to identify promising new systems, this study is designed to assess the impact of metal identity on such O-atom insertions for the reaction [(bpy)xM(Me)(OOH)]n ? [(bpy)xM(OMe)(OH)]n (x = 1 or 2; bpy = 2,2'-bipyridyl; n is varied to maintain the d-electron count at d? or d?). Six d?-square-planar complexes (M = PtII, PdII, NiII, IrI, RhI, and CoI) and eight d?-octahedral systems (M = IrIII, RhIII, CoIII, FeII RuII, OsII, MnI, and TcI) are studied. Using density functional theory calculations, the structures and energies of ground-state and transition-state species are elucidated. This study shows clear trends in calculated ?G’s for the O-atom insertions. The organometallic Baeyer–Villiger insertions are favored by lower coordination numbers (x = 1 versus x = 2), earlier transition metals, and first-row (3d) transition metals.

  10. An unsupported transition metal-lanthanide bond; synthesis and crystal structure of an Nd-Fe amido N-heterocyclic carbene complex 

    E-Print Network [OSTI]

    Arnold, Polly; McMaster, J.; Liddle, S.T.

    2009-01-01

    A salt-elimination reaction between the neodymium monoiodide [Nd(L)(N)(I)]2 [L = ButNCH2CH2{C(NCSiMe3CHNBut)}; N = N(SiMe3)2] and K[FeCp(CO)2] affords the first complex with an unsupported 4f–3d metal–metal bond that is ...

  11. Insertion of Elemental Sulfur and SO2 into the Metal-Hydride and Metal-Carbon Bonds of Platinum

    E-Print Network [OSTI]

    Jones, William D.

    and other alkyl and aryl compounds, followed by insertion of sulfur-bearing species to syn- thesize sulfur-bearing or main- group metals.2,3 A second resonance is seen in the 31P NMR spectrum at 67.02 (JPtP ) 1811 Hz

  12. Stress analysis and failure of the bond interface of a metal matrix component 

    E-Print Network [OSTI]

    Pamel, Michele Lynn

    1995-01-01

    A two dimensional orthotropic thermoelastic finite element algorithm is developed herein, and it is used to evaluate the performance of a metal matrix composite (MMC) structural component provided by G.E. and Battelle Labs. ...

  13. An ab initio molecular orbital study of metal nitrosyl bond angles in iron complexes 

    E-Print Network [OSTI]

    Hawkins, Tommy Wayne

    1979-01-01

    the berding process. Negligible transfer of charge, as determined by total charge population, between sntal and ligsnd is observed as in the (FeN0) case. The cyanide ligands appear to equally share a de- 6 ficit of about one charge unit. At the linear Fe...I An ab initio molecular orbital study of the series [Fe(NO)CN)4] (N = 1, 2, 3) and [Fe(NO)Z(CN)ZN)] is made with emphasis on the effect of iron nitrosyl bond angle on electronic structure. In the [FeNO} 6 1- case, [Fe(NO)(CN)4] , there is a potential...

  14. Strong Bond Activation with Late Transition-Metal Pincer Complexes as a Foundation for Potential Catalysis 

    E-Print Network [OSTI]

    Zhu, Yanjun

    2012-07-16

    pincer ligands include ECE (E = P, S, N, etc.) ligands (A),8 Fryzuk's PNP ligand (B)9, the NNN 3 ligand from the Peters' group (C),10 diarylamido based PNP ligands (D)11 and the most recently developed PBP (E)12 and PSiP (F)13 ligands. The second... (TM). For example, our group reported the synthesis of a series Group 4 (PNP)MLn complexes via the TM of (PNP)Li salt with MCl4 metal precursors (Scheme 1-3).16 The soft metal salt [(PNP)Ag]2 17 has also been developed and shown the ability...

  15. Ultra-stable Molecule-Surface Architectures at Metal Oxides: Structure, Bonding, and Electron-transfer Processes

    SciTech Connect (OSTI)

    Hamers, Robert John

    2013-12-07

    Research funded by this project focused on the development of improved strategies for functionalization of metal oxides to enhance charge?transfer processes relevant to solar energy conversion. Initial studies included Fe2O3, WO3, TiO2, SnO2, and ZnO as model oxide systems; these systems were chosen due to differences in metal oxidation state and chemical bonding types in these oxides. Later studies focused largely on SnO2 and ZnO, as these materials show particularly promising surface chemistry, have high electron mobility, and can be readily grown in both spherical nanoparticles and as elongated nanorods. New molecules were synthesized that allowed the direct chemical assembly of novel nanoparticle ?dyadic? structures in which two different oxide materials are chemically joined, leading to an interface that enhances the separation of of charge upon illumination. We demonstrated that such junctions enhance photocatalytic efficiency using model organic compounds. A separate effort focused on novel approaches to linking dye molecules to SnO2 and ZnO as a way to enhance solar conversion efficiency. A novel type of surface binding through

  16. Transition Metal Catalyzed Hydroarylation of Multiple Bonds: Exploration of Second Generation Ruthenium Catalysts and Extension to Copper Systems

    SciTech Connect (OSTI)

    T. Brent Gunnoe

    2011-02-17

    Catalysts provide foundational technology for the development of new materials and can enhance the efficiency of routes to known materials. New catalyst technologies offer the possibility of reducing energy and raw material consumption as well as enabling chemical processes with a lower environmental impact. The rising demand and expense of fossil resources has strained national and global economies and has increased the importance of accessing more efficient catalytic processes for the conversion of hydrocarbons to useful products. The goals of the research are to develop and understand single-site homogeneous catalysts for the conversion of readily available hydrocarbons into useful materials. A detailed understanding of these catalytic reactions could lead to the development of catalysts with improved activity, longevity and selectivity. Such transformations could reduce the environmental impact of hydrocarbon functionalization, conserve energy and valuable fossil resources and provide new technologies for the production of liquid fuels. This project is a collaborative effort that incorporates both experimental and computational studies to understand the details of transition metal catalyzed C-H activation and C-C bond forming reactions with olefins. Accomplishments of the current funding period include: (1) We have completed and published studies of C-H activation and catalytic olefin hydroarylation by TpRu{l_brace}P(pyr){sub 3}{r_brace}(NCMe)R (pyr = N-pyrrolyl) complexes. While these systems efficiently initiate stoichiometric benzene C-H activation, catalytic olefin hydroarylation is hindered by inhibition of olefin coordination, which is a result of the steric bulk of the P(pyr){sub 3} ligand. (2) We have extended our studies of catalytic olefin hydroarylation by TpRu(L)(NCMe)Ph systems to L = P(OCH{sub 2}){sub 3}CEt. Thus, we have now completed detailed mechanistic studies of four systems with L = CO, PMe{sub 3}, P(pyr){sub 3} and P(OCH{sub 2}){sub 3}CEt, which has provided a comprehensive understanding of the impact of steric and electronic parameters of 'L' on the catalytic hydroarylation of olefins. (3) We have completed and published a detailed mechanistic study of stoichiometric aromatic C-H activation by TpRu(L)(NCMe)Ph (L = CO or PMe{sub 3}). These efforts have probed the impact of functionality para to the site of C-H activation for benzene substrates and have allowed us to develop a detailed model of the transition state for the C-H activation process. These results have led us to conclude that the C-H bond cleavage occurs by a {sigma}-bond metathesis process in which the C-H transfer is best viewed as an intramolecular proton transfer. (4) We have completed studies of Ru complexes possessing the N-heterocyclic carbene IMes (IMes = 1,3-bis-(2,4,6-trimethylphenyl)imidazol-2-ylidene). One of these systems is a unique four-coordinate Ru(II) complex that catalyzes the oxidative hydrophenylation of ethylene (in low yields) to produce styrene and ethane (utilizing ethylene as the hydrogen acceptor) as well as the hydrogenation of olefins, aldehydes and ketones. These results provide a map for the preparation of catalysts that are selective for oxidative olefin hydroarylation. (5) The ability of TpRu(PMe{sub 3})(NCMe)R systems to activate sp{sup 3} C-H bonds has been demonstrated including extension to subsequent C-C bond forming steps. These results open the door to the development of catalysts for the functionalization of more inert C-H bonds. (6) We have discovered that Pt(II) complexes supported by simple nitrogen-based ligands serve as catalysts for the hydroarylation of olefins. Given the extensive studies of Pt-based catalytic C-H activation, we believe these results will provide an entry point into an array of possible catalysts for hydrocarbon functionalization.

  17. Classification of metal-oxide bonded interactions based on local potential-and kinetic-energy densities

    E-Print Network [OSTI]

    Downs, Robert T.

    of the local potential-energy density and G rc is the local kinetic-energy density, each evaluated at a bond rc and the local electronic energy density, H rc =G rc +V rc , in the H­F study, yielded practically the bond critical point and local energy density properties with the bond lengths displayed by the H

  18. Undecametallic and hexadecametallic ferric oxo–hydroxo/ethoxo pivalate clusters

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

    Baca, Svetlana G.; Speldrich, Manfred; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul

    2015-03-27

    The synthesis strategies for highly condensed {Fe11} and {Fe16} pivalate clusters have been developed based on archetypal geometrically frustrated triangular {Fe3(?3-O)} motifs that are interlinked via oxo, hydroxo, ethoxo, and carboxylate groups.

  19. Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes

    SciTech Connect (OSTI)

    Ward, Ashleigh; Lukens, Wayne; Lu, Connie; Arnold, John

    2014-04-01

    A series of actinide-transition metal heterobimetallics has been prepared, featuring thorium, uranium and cobalt. Complexes incorporating the binucleating ligand N[-(NHCH2PiPr2)C6H4]3 and Th(IV) (4) or U(IV) (5) with a carbonyl bridged [Co(CO)4]- unit were synthesized from the corresponding actinide chlorides (Th: 2; U: 3) and Na[Co(CO)4]. Irradiation of the isocarbonyls with ultraviolet light resulted in the formation of new species containing actinide-metal bonds in good yields (Th: 6; U: 7); this photolysis method provides a new approach to a relatively rare class of complexes. Characterization by single-crystal X-ray diffraction revealed that elimination of the bridging carbonyl is accompanied by coordination of a phosphine arm from the N4P3 ligand to the cobalt center. Additionally, actinide-cobalt bonds of 3.0771(5) and 3.0319(7) for the thorium and uranium complexes, respectively, were observed. The solution state behavior of the thorium complexes was evaluated using 1H, 1H-1H COSY, 31P and variable-temperature NMR spectroscopy. IR, UV-Vis/NIR, and variable-temperature magnetic susceptibility measurements are also reported.

  20. J.H. Gieske, M.A. Rumsey, "Nondestructive Evaluation (Nde) Of Composite/Metal Bond Interface Of A Wind Turbine Blade Using An Acousto-Ultrasonic Technique," 1997 ASME Wind Energy

    E-Print Network [OSTI]

    Of A Wind Turbine Blade Using An Acousto-Ultrasonic Technique," 1997 ASME Wind Energy Symposium, AIAA/ASME, 1997, pp. 249-254. NONDESTRUCTIVE EVALUATION (NDE) OF COMPOSITE/METAL BOND INTERFACE OF A WIND TURBINE insert and the fiber glass epoxy composite of a wind turbine blade. Data was generated manually as well

  1. Transient liquid phase ceramic bonding

    DOE Patents [OSTI]

    Glaeser, Andreas M. (Berkeley, CA)

    1994-01-01

    Ceramics are joined to themselves or to metals using a transient liquid phase method employing three layers, one of which is a refractory metal, ceramic or alloy. The refractory layer is placed between two metal layers, each of which has a lower melting point than the refractory layer. The three layers are pressed between the two articles to be bonded to form an assembly. The assembly is heated to a bonding temperature at which the refractory layer remains solid, but the two metal layers melt to form a liquid. The refractory layer reacts with the surrounding liquid and a single solid bonding layer is eventually formed. The layers may be designed to react completely with each other and form refractory intermetallic bonding layers. Impurities incorporated into the refractory metal may react with the metal layers to form refractory compounds. Another method for joining ceramic articles employs a ceramic interlayer sandwiched between two metal layers. In alternative embodiments, the metal layers may include sublayers. A method is also provided for joining two ceramic articles using a single interlayer. An alternate bonding method provides a refractory-metal oxide interlayer placed adjacent to a strong oxide former. Aluminum or aluminum alloys are joined together using metal interlayers.

  2. A single crystalline porphyrinic titanium metal–organic framework

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

    Yuan, Shuai; Liu, Tian -Fu; Feng, Dawei; Tian, Jian; Wang, Kecheng; Qin, Junsheng; Zhang, Qiang; Chen, Ying -Pin; Bosch, Mathieu; Zou, Lanfang; et al

    2015-04-28

    We successfully assembled the photocatalytic titanium-oxo cluster and photosensitizing porphyrinic linker into a metal–organic framework (MOF), namely PCN-22. A preformed titanium-oxo carboxylate cluster is adopted as the starting material to judiciously control the MOF growth process to afford single crystals. This synthetic method is useful to obtain highly crystalline titanium MOFs, which has been a daunting challenge in this field. Moreover, PCN-22 demonstrated permanent porosity and photocatalytic activities toward alcohol oxidation.

  3. First Structural Characterization of a Protactinium(V) Single Oxo Bond in

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfate Reducing(Journal Article) |production atmeasurement forces. (TechnicalConnect FirstAqueous

  4. Pauling bond strength, bond length and electron density distribution

    SciTech Connect (OSTI)

    Gibbs, Gerald V.; Ross, Nancy L.; Cox, David F.; Rosso, Kevin M.; Iversen, Bo B.; Spackman, M. A.

    2014-01-18

    A power law regression equation, = 1.46(/r)-0.19, connecting the average experimental bond lengths, , with the average accumulation of the electron density at the bond critical point, , between bonded metal M and oxygen atoms, determined at ambient conditions for oxide crystals, where r is the row number of the M atom, is similar to the regression equation R(M-O) = 1.39(?(rc)/r)-0.21 determined for three perovskite crystals for pressures as high as 80 GPa. The two equations are also comparable with those, = 1.43(/r)-0.21, determined for a large number of oxide crystals at ambient conditions and = 1.39(/r)-0.22, determined for geometry optimized hydroxyacid molecules, that connect the bond lengths to the average Pauling electrostatic bond strength, , for the M-O bonded interactions. On the basis of the correspondence between the two sets of equations connecting ?(rc) and the Pauling bond strength s with bond length, it appears that Pauling’s simple definition of bond strength closely mimics the accumulation of the electron density between bonded pairs of atoms. The similarity of the expressions for the crystals and molecules is compelling evidence that the M-O bonded interactions for the crystals and molecules 2 containing the same bonded interactions are comparable. Similar expressions, connecting bond lengths and bond strength, have also been found to hold for fluoride, nitride and sulfide molecules and crystals. The Brown-Shannon bond valence, ?, power law expression ? = [R1/(R(M-O)]N that has found wide use in crystal chemistry, is shown to be connected to a more universal expression determined for oxides and the perovskites, = r[(1.41)/]4.76, demonstrating that the bond valence for a bonded interaction is likewise closely connected to the accumulation of the electron density between the bonded atoms. Unlike the Brown-Shannon expression, it is universal in that it holds for the M-O bonded interactions for a relatively wide range of M atoms of the periodic table. The power law equation determined for the oxide crystals at ambient conditions is similar to the power law expression = r[1.46/]5.26 determined for the perovskites at pressures as high as 80 GPa, indicating that the intrinsic connection between R(M-O) and ?(rc) that holds at ambient conditions also holds, to a first approximation, at high pressures.

  5. New Designs of Rigid Pincer Complexes with PXP Ligands and Late Transition Metals and sp3 C-F Bond Activation with Silylium and Alumenium Species 

    E-Print Network [OSTI]

    Gu, Weixing

    2012-02-14

    In this dissertation, catalytic C-F bond activation mediated by alumenium and silylium species, improved methods for the synthesis of highly chlorinated carboranes and dodecaborates, new type of P2Si= pincer silylene Pt ...

  6. Metal-Catalyzed C-C Bond Cleavage in Alkanes: Effects of Methyl Substitution on Transition-State Structures and Stability

    E-Print Network [OSTI]

    Iglesia, Enrique

    -C bonds via hydrogenolysis reactions during catalytic reforming and isomerization pro- cesses,1 which. Such interpretations and catalytic consequences of substitution seem also relevant to C-X cleavage (X = S, N, O

  7. Theoretical Investigation of Uranyl Dihydroxide: Oxo Ligand Exchange, Water Catalysis, and Vibrational Spectra

    E-Print Network [OSTI]

    Schlegel, H. Bernhard

    Theoretical Investigation of Uranyl Dihydroxide: Oxo Ligand Exchange, Water Catalysis is employed to investigate uranyl dihydroxide, UO2(OH)2, isomerization reaction energy barriers, including those occurring via proton shuttles. The ground-state structure of a uranyl dihydroxide complex

  8. Metal-Pyrrolide Complexes in Three-fold Symmetry: Synthesis, Structure, Reactivity and Magnetism

    E-Print Network [OSTI]

    Harman, William Hill

    2010-01-01

    R. A. Multiple Bonds Between Metal Atoms; 3rd ed. ; SpringerNugent, W. A. ; Mayer, J. M. Metal-Ligand Mulitple Bonds;Nugent, W. A. ; Mayer, J. M. Metal-Ligand Mulitple Bonds;

  9. Ultrafast Infrared Studies of Bond Activation in

    E-Print Network [OSTI]

    Harris, Charles B.

    a few. Predominate in the field are UV-pump visible-probe techniques, a fact which derives largely from industry. Si-H bond activation by certain transition-metal-containing com- pounds was discovered by Jetz

  10. Non-bonded ultrasonic transducer

    DOE Patents [OSTI]

    Eoff, J.M.

    1984-07-06

    A mechanically assembled non-bonded ultrasonic transducer includes a substrate, a piezoelectric film, a wetting agent, a thin metal electrode, and a lens held in intimate contact by a mechanical clamp. No epoxy or glue is used in the assembly of this device.

  11. Bond-valence methods for pKa prediction. II. Bond-valence, electrostatic, molecular geometry, and solvation effects

    SciTech Connect (OSTI)

    Bickmore, Barry R.; Rosso, Kevin M.; Tadanier, Christopher J.; Bylaska, Eric J.; Doud, Darrin

    2006-08-15

    In a previous contribution, we outlined a method for predicting (hydr)oxy-acid and oxide surface acidity constants based on three main factors: bond valence, Me?O bond ionicity, and molecular shape. Here electrostatics calculations and ab initio molecular dynamics simulations are used to qualitatively show that Me?O bond ionicity controls the extent to which the electrostatic work of proton removal departs from ideality, bond valence controls the extent of solvation of individual functional groups, and bond valence and molecular shape controls local dielectric response. These results are consistent with our model of acidity, but completely at odds with other methods of predicting acidity constants for use in multisite complexation models. In particular, our ab initio molecular dynamics simulations of solvated monomers clearly indicate that hydrogen bonding between (hydr)oxo-groups and water molecules adjusts to obey the valence sum rule, rather than maintaining a fixed valence based on the coordination of the oxygen atom as predicted by the standard MUSIC model.

  12. Process Of Bonding Copper And Tungsten

    DOE Patents [OSTI]

    Slattery, Kevin T. (St. Charles, MO); Driemeyer, Daniel E. (Manchester, MO); Davis, John W. (Ballwin, MO)

    2000-07-18

    Process for bonding a copper substrate to a tungsten substrate by providing a thin metallic adhesion promoting film bonded to a tungsten substrate and a functionally graded material (FGM) interlayer bonding the thin metallic adhesion promoting film to the copper substrate. The FGM interlayer is formed by sintering a stack of individual copper and tungsten powder blend layers having progressively higher copper content/tungsten content, by volume, ratio values in successive powder blend layers in a lineal direction extending from the tungsten substrate towards the copper substrate. The resulting copper to tungsten joint well accommodates the difference in the coefficient of thermal expansion of the materials.

  13. Electronic structure of the dioxygen to transition metal bond: generalized molecular orbital calculations on models of manganese, iron, and cobalt porphyrins 

    E-Print Network [OSTI]

    Newton, James Edward

    1982-01-01

    calculat1on y1elded a I ground. state conf1gurat1on in which the bonding orbital has an occu- pation number of 1. 97 and the antibond1ng orbital has an occupat1on number of 0. 03 electrons. Both Pauling and Griffith geometr1es of Nn(0 )(H C H ) y1... Geometries. Basis sets. . Results Fenske-Hall molecular orbi tal calculations. Restricted Hartree-Fock-Roothaan-Configuration Interaction calculations. 56 58 59 ~ ~ 59 ~ ~ 61 62 62 65 Generalized Molecular Orbi tal-Conf i gurati on Interaction...

  14. Method of bonding

    DOE Patents [OSTI]

    Saller, deceased, Henry A. (late of Columbus, OH); Hodge, Edwin S. (Columbus, OH); Paprocki, Stanley J. (Columbus, OH); Dayton, Russell W. (Columbus, OH)

    1987-12-01

    1. A method of making a fuel-containing structure for nuclear reactors, comprising providing an assembly comprising a plurality of fuel units; each fuel unit consisting of a core plate containing thermal-neutron-fissionable material, sheets of cladding metal on its bottom and top surfaces, said cladding sheets being of greater width and length than said core plates whereby recesses are formed at the ends and sides of said core plate, and end pieces and first side pieces of cladding metal of the same thickness as the core plate positioned in said recesses, the assembly further comprising a plurality of second side pieces of cladding metal engaging the cladding sheets so as to space the fuel units from one another, and a plurality of filler plates of an acid-dissolvable nonresilient material whose melting point is above 2000.degree. F., each filler plate being arranged between a pair of said second side pieces and the cladding plates of two adjacent fuel units, the filler plates having the same thickness as the second side pieces; the method further comprising enclosing the entire assembly in an envelope; evacuating the interior of the entire assembly through said envelope; applying inert gas under a pressure of about 10,000 psi to the outside of said envelope while at the same time heating the assembly to a temperature above the flow point of the cladding metal but below the melting point of any material of the assembly, whereby the envelope is pressed against the assembly and integral bonds are formed between plates, sheets, first side pieces, and end pieces and between the sheets and the second side pieces; slowly cooling the assembly to room temperature; removing the envelope; and dissolving the filler plates without attacking the cladding metal.

  15. Investing in Bonds 

    E-Print Network [OSTI]

    Johnson, Jason; Polk, Wade

    2002-08-12

    bonds Corporate bonds are generally the riskiest of all fixed-income securities because companies? even large, stable ones?are much more susceptible than govern- ments to economic problems, mis- management and competition. However, corporate bonds can...

  16. Nanocomposite of graphene and metal oxide materials | OSTI, US...

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

    Nanocomposite of graphene and metal oxide materials Re-direct Destination: Nanocomposite materials comprising a metal oxide bonded to at least one graphene material. The...

  17. In-situ and theoretical studies for the dissociation of water on an active Ni/CeO? catalyst: Importance of strong metal-support interactions for the cleavage of O-H bonds

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

    Carrasco, Javier; Rodriguez, Jose A.; Lopez-Duran, David; Liu, Zongyuan; Duchon, Tomas; Evans, Jaime; Senanayake, Sanjaya D.; Crumlin, Ethan J.; Matolin, Vladimir; Ganduglia-Pirovano, M. Veronica

    2015-03-23

    Water dissociation is crucial in many catalytic reactions on oxide-supported transition-metal catalysts. Here, supported by experimental and density-functional theory results, we elucidate the effect of the support on O-H bond cleavage activity for nickel/ceria systems. Ambient-pressure O1s photoemission spectra at low Ni loadings on CeO?(111) reveal a substantially larger amount of OH groups as compared to the bare support. Our computed activation energy barriers for water dissociation show an enhanced reactivity of Ni adatoms on CeO?(111) compared with pyramidal Ni? particles with one Ni atom not in contact with the support, and extended Ni(111) surfaces. At the origin of thismore »support effect is the ability of ceria to stabilize oxidized Ni˛? species by accommodating electrons in localized f-states. The fast dissociation of water on Ni/CeO? has a dramatic effect on the activity and stability of this system as a catalyst for the water-gas shift and ethanol steam reforming reactions.« less

  18. In-situ and theoretical studies for the dissociation of water on an active Ni/CeO? catalyst: Importance of strong metal-support interactions for the cleavage of O-H bonds

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

    Carrasco, Javier [Inst. de Catalisis y Petroleoquimica, CSIC, Madrid (Spain); CIC Energigune, Minana, Alava (Spain); Rodriguez, Jose A. [Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., NY (United States); Lopez-Duran, David [Inst. de Catalisis y Petroleoquimica, CSIC, Madrid (Spain); CIC Energigune, Minana, Alava (Spain); Liu, Zongyuan [Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., NY (United States); Duchon, Tomas [Charles Univ., Praha (Czech Republic); Evans, Jaime [Univ. Central de Venezuela, Caracas (Venezuela); Senanayake, Sanjaya D. [Brookhaven National Lab. (BNL), Upton, NY (United States); Crumlin, Ethan J. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Matolin, Vladimir [Charles Univ., Praha (Czech Republic); Ganduglia-Pirovano, M. Veronica [Inst. de Catalisis y Petroleoquimica, CSIC, Madrid (Spain)

    2015-03-23

    Water dissociation is crucial in many catalytic reactions on oxide-supported transition-metal catalysts. Here, supported by experimental and density-functional theory results, we elucidate the effect of the support on O-H bond cleavage activity for nickel/ceria systems. Ambient-pressure O1s photoemission spectra at low Ni loadings on CeO?(111) reveal a substantially larger amount of OH groups as compared to the bare support. Our computed activation energy barriers for water dissociation show an enhanced reactivity of Ni adatoms on CeO?(111) compared with pyramidal Ni? particles with one Ni atom not in contact with the support, and extended Ni(111) surfaces. At the origin of this support effect is the ability of ceria to stabilize oxidized Ni˛? species by accommodating electrons in localized f-states. The fast dissociation of water on Ni/CeO? has a dramatic effect on the activity and stability of this system as a catalyst for the water-gas shift and ethanol steam reforming reactions.

  19. Metal-Oxo Catalysts for Generating Hydrogen from Water - Energy Innovation

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration wouldMass map shines light on dark matter ByMentor-ProtegeFrom the DirectorInnovationsPortal

  20. A nanotubular metal-organic framework with permanent porosity : structure analysis and gas sorption studies.

    SciTech Connect (OSTI)

    Ma, S.; Simmons, J. M.; Li, J. R.; Yuan, D.; Weng, W.; Liu, D. J.; Zhou, H. C.; Chemical Sciences and Engineering Division; Texas A&M Univ.; NIST

    2009-01-01

    A nanotubular metal-organic framework, PCN-19, was constructed based on a micro3-oxo-trinickel basic carboxylate secondary building unit (SBU) and the 9,10-anthracenedicarboxylate ligand; its permanent porosity was confirmed by N2 adsorption isotherms, and its H2 storage performances were evaluated under both low and high pressures at 77 K.

  1. Essays on corporate bonds

    E-Print Network [OSTI]

    Bao, Jack (Jack C.)

    2009-01-01

    This thesis consists of three empirical essays on corporate bonds, examining the role of both credit risk and liquidity. In the first chapter, I test the ability of structural models of default to price corporate bonds in ...

  2. Electrically conductive resinous bond and method of manufacture

    DOE Patents [OSTI]

    Snowden, Jr., Thomas M. (P.O. Box 4231, Clearwater, FL 33518); Wells, Barbara J. (865 N. Village Dr., Apt. 101B, St. Petersburg, FL 33702)

    1987-01-01

    A method of bonding elements together with a bond of high strength and good electrical conductivity which comprises: applying an unfilled polyimide resin between surfaces of the elements to be bonded, heat treating said unfilled polyimide resin in stages between a temperature range of about 40.degree. to 365.degree. C. to form a strong adhesive bond between said elements, applying a metal-filled polyimide resin overcoat between said elements so as to provide electrical connection therebetween, and heat treating said metal-filled polyimide resin with substantially the same temperature profile as the unfilled polyimide resin. The present invention is also concerned with an adhesive, resilient, substantially void free bonding combination for providing a high strength, electrically conductive adhesive attachment between electrically conductive elements which comprises a major amount of an unfilled polyimide resin and a minor amount of a metal-filled polyimide resin.

  3. Electrically conductive resinous bond and method of manufacture

    DOE Patents [OSTI]

    Snowden, T.M. Jr.; Wells, B.J.

    1985-01-01

    A method of bonding elements together with a bond of high strength and good electrical conductivity which comprises: applying an unfilled polyimide resin between surfaces of the elements to be bonded, heat treating said unfilled polyimide resin in stages between a temperature range of about 40 to 365/sup 0/C to form a strong adhesive bond between said elements, applying a metal-filled polyimide resin overcoat between said elements so as to provide electrical connection therebetween, and heat treating said metal-filled polyimide resin with substantially the same temperature profile as the unfilled polyimide resin. The present invention is also concerned with an adhesive, resilient, substantially void free bonding combination for providing a high strength, electrically conductive adhesive attachment between electrically conductive elements which comprises a major amount of an unfilled polyimide resin and a minor amount of a metal-filled polyimide resin.

  4. Nitrogen-tuned bonding mechanism of Li and Ti adatom embedded graphene

    SciTech Connect (OSTI)

    Lee, Sangho; Chung, Yong-Chae, E-mail: yongchae@hanyang.ac.kr

    2013-09-15

    The effects of nitrogen defects on the bonding mechanism and resultant binding energy between the metal and graphene layer were investigated using density functional theory (DFT) calculations. For the graphitic N-doped graphene, Li adatom exhibited ionic bonding character, while Ti adatom showed features of covalent bonding similar to that of pristine graphene. However, in the cases of pyridinic and pyrrolic structures, partially covalent bonding characteristic occurred around N atoms in the process of binding with metals, and this particular bond formation enhanced the bond strength of metal on the graphene layer as much as it exceeded the cohesive energy of the metal bulk. Thus, Li and Ti metals are expected to be dispersed with atomic accuracy on the pyridinic and pyrrolic N-doped graphene layers. These results demonstrate that the bonding mechanism of metal–graphene complex can change according to the type of N defect, and this also affects the binding results. - Graphical abstract: Display Omitted - Highlights: • Nitrogen defects changed the bonding mechanism between metal and graphene. • Bonding character and binding results were investigated using DFT calculations. • Covalent bonding character occurred around pyridinic and pyrrolic N-doped graphene. • Pyridinic and pyrrolic N atoms are effective for metal dispersion on the graphene.

  5. Process Of Bonding Copper And Tungsten

    DOE Patents [OSTI]

    Slattery, Kevin T. (St. Charles, MO); Driemeyer, Daniel E. (Manchester, MO)

    1999-11-23

    Process for bonding a copper substrate to a tungsten substrate by providing a thin metallic adhesion promoting film bonded to a tungsten substrate and a functionally graded material (FGM) interlayer bonding the thin metallic adhesion promoting film to the copper substrate. The FGM interlayer is formed by thermal plasma spraying mixtures of copper powder and tungsten powder in a varied blending ratio such that the blending ratio of the copper powder and the tungsten powder that is fed to a plasma torch is intermittently adjusted to provide progressively higher copper content/tungsten content, by volume, ratio values in the interlayer in a lineal direction extending from the tungsten substrate towards the copper substrate. The resulting copper to tungsten joint well accommodates the difference in the coefficient of thermal expansion of the materials.

  6. Bonding thermoplastic polymers

    DOE Patents [OSTI]

    Wallow, Thomas I. (Fremont, CA); Hunter, Marion C. (Livermore, CA); Krafcik, Karen Lee (Livermore, CA); Morales, Alfredo M. (Livermore, CA); Simmons, Blake A. (San Francisco, CA); Domeier, Linda A. (Danville, CA)

    2008-06-24

    We demonstrate a new method for joining patterned thermoplastic parts into layered structures. The method takes advantage of case-II permeant diffusion to generate dimensionally controlled, activated bonding layers at the surfaces being joined. It is capable of producing bonds characterized by cohesive failure while preserving the fidelity of patterned features in the bonding surfaces. This approach is uniquely suited to production of microfluidic multilayer structures, as it allows the bond-forming interface between plastic parts to be precisely manipulated at micrometer length scales. The bond enhancing procedure is easily integrated in standard process flows and requires no specialized equipment.

  7. Method of making sintered ductile intermetallic-bonded ceramic composites

    DOE Patents [OSTI]

    Plucknett, K.; Tiegs, T.N.; Becher, P.F.

    1999-05-18

    A method of making an intermetallic-bonded ceramic composite involves combining a particulate brittle intermetallic precursor with a particulate reactant metal and a particulate ceramic to form a mixture and heating the mixture in a non-oxidizing atmosphere at a sufficient temperature and for a sufficient time to react the brittle intermetallic precursor and the reactant metal to form a ductile intermetallic and sinter the mixture to form a ductile intermetallic-bonded ceramic composite. 2 figs.

  8. Adsorption of propane, isopropyl, and hydrogen on cluster models of the M1 phase of Mo-V-Te-Nb-O mixed metal oxide catalyst

    SciTech Connect (OSTI)

    Govindasamy, Agalya; Muthukumar, Kaliappan; Yu, Junjun; Xu, Ye; Guliants, Vadim V.

    2010-01-01

    The Mo-V-Te-Nb-O mixed metal oxide catalyst possessing the M1 phase structure is uniquely capable of directly converting propane into acrylonitrile. However, the mechanism of this complex eight-electron transformation, which includes a series of oxidative H-abstraction and N-insertion steps, remains poorly understood. We have conducted a density functional theory study of cluster models of the proposed active and selective site for propane ammoxidation, including the adsorption of propane, isopropyl (CH{sub 3}CHCH{sub 3}), and H which are involved in the first step of this transformation, that is, the methylene C-H bond scission in propane, on these active site models. Among the surface oxygen species, the telluryl oxo (Te=O) is found to be the most nucleophilic. Whereas the adsorption of propane is weak regardless of the MO{sub x} species involved, isopropyl and H adsorption exhibits strong preference in the order of Te=O > V=O > bridging oxygens > empty Mo apical site, suggesting the importance of TeO{sub x} species for H abstraction. The adsorption energies of isopropyl and H and consequently the reaction energy of the initial dehydrogenation of propane are strongly dependent on the number of ab planes included in the cluster, which points to the need to employ multilayer cluster models to correctly capture the energetics of surface chemistry on this mixed metal oxide catalyst.

  9. Bonded semiconductor substrate

    DOE Patents [OSTI]

    Atwater, Jr.; Harry A. (South Pasadena, CA), Zahler; James M. (Pasadena, CA)

    2010-07-13

    Ge/Si and other nonsilicon film heterostructures are formed by hydrogen-induced exfoliation of the Ge film which is wafer bonded to a cheaper substrate, such as Si. A thin, single-crystal layer of Ge is transferred to Si substrate. The bond at the interface of the Ge/Si heterostructures is covalent to ensure good thermal contact, mechanical strength, and to enable the formation of an ohmic contact between the Si substrate and Ge layers. To accomplish this type of bond, hydrophobic wafer bonding is used, because as the invention demonstrates the hydrogen-surface-terminating species that facilitate van der Waals bonding evolves at temperatures above 600.degree. C. into covalent bonding in hydrophobically bound Ge/Si layer transferred systems.

  10. Water's Hydrogen Bond Strength

    E-Print Network [OSTI]

    Chaplin, Martin

    2007-01-01

    Water is necessary both for the evolution of life and its continuance. It possesses particular properties that cannot be found in other materials and that are required for life-giving processes. These properties are brought about by the hydrogen bonded environment particularly evident in liquid water. Each liquid water molecule is involved in about four hydrogen bonds with strengths considerably less than covalent bonds but considerably greater than the natural thermal energy. These hydrogen bonds are roughly tetrahedrally arranged such that when strongly formed the local clustering expands, decreasing the density. Such low density structuring naturally occurs at low and supercooled temperatures and gives rise to many physical and chemical properties that evidence the particular uniqueness of liquid water. If aqueous hydrogen bonds were actually somewhat stronger then water would behave similar to a glass, whereas if they were weaker then water would be a gas and only exist as a liquid at sub-zero temperature...

  11. METAL NANOPARTICLES FUNCTIONALIZED WITH METAL-LIGAND COVALENT BONDS

    E-Print Network [OSTI]

    Kang, Xiongwu

    2012-01-01

    Derivatives. Analytical Chemistry, 2010. 82(2): p. 461-465.Derivatives. Analytical Chemistry, 2010. 82(2): p. 461-465.Derivatives. Analytical Chemistry, 2010. 82(2): p. 461-465.

  12. METAL NANOPARTICLES FUNCTIONALIZED WITH METAL-LIGAND COVALENT BONDS

    E-Print Network [OSTI]

    Kang, Xiongwu

    2012-01-01

    photoluminescence, although UV-vis measurements only showedthan 3 nm, UV-vis spectroscopic measurements exhibit awith the UV-vis spectroscopic measurements (Figure 5.5), and

  13. METAL NANOPARTICLES FUNCTIONALIZED WITH METAL-LIGAND COVALENT BONDS

    E-Print Network [OSTI]

    Kang, Xiongwu

    2012-01-01

    and Pelizzetti, E. ( 1989) Photocatalysis : fundamentals andPhotoelectrochemistry, photocatalysis, and photoreactors:Phase 9.1 Introduction Photocatalysis of a chemical reaction

  14. Bonded ultrasonic transducer and method for making

    DOE Patents [OSTI]

    Dixon, R.D.; Roe, L.H.; Migliori, A.

    1995-11-14

    An ultrasonic transducer is formed as a diffusion bonded assembly of piezoelectric crystal, backing material, and, optionally, a ceramic wear surface. The mating surfaces of each component are silver films that are diffusion bonded together under the application of pressure and heat. Each mating surface may also be coated with a reactive metal, such as hafnium, to increase the adhesion of the silver films to the component surfaces. Only thin silver films are deposited, e.g., a thickness of about 0.00635 mm, to form a substantially non-compliant bond between surfaces. The resulting transducer assembly is substantially free of self-resonances over normal operating ranges for taking resonant ultrasound measurements. 12 figs.

  15. Bonded ultrasonic transducer and method for making

    DOE Patents [OSTI]

    Dixon, Raymond D. (Los Alamos, NM); Roe, Lawrence H. (Los Alamos, NM); Migliori, Albert (Santa Fe, NM)

    1995-01-01

    An ultrasonic transducer is formed as a diffusion bonded assembly of piezoelectric crystal, backing material, and, optionally, a ceramic wear surface. The mating surfaces of each component are silver films that are diffusion bonded together under the application of pressure and heat. Each mating surface may also be coated with a reactive metal, such as hafnium, to increase the adhesion of the silver films to the component surfaces. Only thin silver films are deposited, e.g., a thickness of about 0.00635 mm, to form a substantially non-compliant bond between surfaces. The resulting transducer assembly is substantially free of self-resonances over normal operating ranges for taking resonant ultrasound measurements.

  16. Low Temperature Material Bonding Technique

    DOE Patents [OSTI]

    Ramsey, J. Michael (Knoxville, TN); Foote, Robert S. (Oak Ridge, TN)

    2000-10-10

    A method of performing a lower temperature bonding technique to bond together two mating pieces of glass includes applying a sodium silicate aqueous solution between the two pieces.

  17. Low temperature material bonding technique

    DOE Patents [OSTI]

    Ramsey, J. Michael (Knoxville, TN); Foote, Robert S. (Oak Ridge, TN)

    2002-02-12

    A method of performing a lower temperature bonding technique to bond together two mating pieces of glass includes applying a sodium silicate aqueous solution between the two pieces.

  18. Qualified Energy Conservation Bonds

    Broader source: Energy.gov [DOE]

    Provides an in-depth description of qualified energy conservation bonds, including process and mechanics, case studies, utilization trends, barriers, and regulatory and legal issues. Author: Energy Programs Consortium

  19. Characterization of anodic bonding

    E-Print Network [OSTI]

    Tudryn, Carissa Debra, 1978-

    2004-01-01

    Anodic bonding is a common process used in MicroElectroMechanical Systems (MEMS) device fabrication and packaging. Polycrystalline chemical vapor deposited (CVD) silicon carbide (SiC) is emerging as a new MEMS device and ...

  20. Bonding aerogels with polyurethanes

    SciTech Connect (OSTI)

    Matthews, F.M.; Hoffman, D.M.

    1989-11-01

    Aerogels, porous silica glasses with ultra-fine cell size (30nm), are made by a solution gelation (sol-gel) process. The resulting gel is critical point dried to densities from 0.15--0.60 g/cc. This material is machinable, homogeneous, transparent, coatable and bondable. To bond aerogel an adhesive should have long cure time, no attack on the aerogel structure, and high strength. Several epoxies and urethanes were examined to determine if they satisfied these conditions. Bond strengths above 13 psi were found with double bubble and DP-110 epoxies and XI-208/ODA-1000 and Castall U-2630 urethanes. Hardman Kalex Tough Stuff'' A-85 hardness urethane gave 18 psi bond strength. Hardman A-85, Tuff-Stuff'' was selected for further evaluation because it produced bond strengths comparable to the adherend cohesive strength. 5 refs., 2 figs.

  1. Water's Hydrogen Bond Strength

    E-Print Network [OSTI]

    Martin Chaplin

    2007-06-10

    Water is necessary both for the evolution of life and its continuance. It possesses particular properties that cannot be found in other materials and that are required for life-giving processes. These properties are brought about by the hydrogen bonded environment particularly evident in liquid water. Each liquid water molecule is involved in about four hydrogen bonds with strengths considerably less than covalent bonds but considerably greater than the natural thermal energy. These hydrogen bonds are roughly tetrahedrally arranged such that when strongly formed the local clustering expands, decreasing the density. Such low density structuring naturally occurs at low and supercooled temperatures and gives rise to many physical and chemical properties that evidence the particular uniqueness of liquid water. If aqueous hydrogen bonds were actually somewhat stronger then water would behave similar to a glass, whereas if they were weaker then water would be a gas and only exist as a liquid at sub-zero temperatures. The overall conclusion of this investigation is that water's hydrogen bond strength is poised centrally within a narrow window of its suitability for life.

  2. Qualifying Energy Conservation Bonds 

    E-Print Network [OSTI]

    Briggs, J.

    2013-01-01

    Bonds (QECB’s) CATEE Conference December 18, 2013 ESL-KT-13-12-39 CATEE 2013: Clean Air Through Energy Efficiency Conference, San Antonio, Texas Dec. 16-18 • Originally authorized by the Energy Improvement & Extension Act of 2008 • American Recovery... ) of the interest cost associated with the transaction • Typical effective interest rates anywhere from 0%-2% depending on credit strength • Bond issuance or private placement is acceptable 2 What are QECB’s ESL-KT-13-12-39 CATEE 2013: Clean Air Through Energy...

  3. Chemistry of Materials 1989, 1,83-101 How C-C Bonds Are Formed and How They Influence

    E-Print Network [OSTI]

    Li, Jing

    Chemistry of Materials 1989, 1,83-101 How C-C Bonds Are Formed and How They Influence Structural Choices in Some Binary and Ternary Metal Carbides 83 Jing Li and Roald Hoffmann* Department of Chemistry properties. In the UC2structure, both uranium-carbon bonding and carbon-carbon bonding are enhanced upon

  4. Tuning the reactivity of mononuclear nonheme manganese(iv)-oxo complexes by triflic acid

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

    Chen, Junying; Yoon, Heejung; Lee, Yong -Min; Seo, Mi Sook; Sarangi, Ritimukta; Fukuzumi, Shunichi; Nam, Wonwoo

    2015-04-14

    Triflic acid (HOTf)-bound nonheme Mn(IV)-oxo complexes, [(L)MnIV(O)]2+–(HOTf)2 (L = N4Py and Bn-TPEN; N4Py = N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine and Bn-TPEN = N-benzyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine), were synthesized by adding HOTf to the solutions of the [(L)MnIV(O)]2+ complexes and were characterized by various spectroscopies. The one-electron reduction potentials of the MnIV(O) complexes exhibited a significant positive shift upon binding of HOTf. The driving force dependences of electron transfer (ET) from electron donors to the MnIV(O) and MnIV(O)–(HOTf)2 complexes were examined and evaluated in light of the Marcus theory of ET to determine the reorganization energies of ET. The smaller reorganization energies and much more positive reduction potentialsmore »of the [(L)MnIV(O)]2+–(HOTf)2 complexes resulted in greatly enhanced oxidation capacity towards one-electron reductants and para-X-substituted-thioanisoles. The reactivities of the Mn(IV)-oxo complexes were markedly enhanced by binding of HOTf, such as a 6.4 × 105-fold increase in the oxygen atom transfer (OAT) reaction (i.e., sulfoxidation). Such a remarkable acceleration in the OAT reaction results from the enhancement of ET from para-X-substituted-thioanisoles to the MnIV(O) complexes as revealed by the unified ET driving force dependence of the rate constants of OAT and ET reactions of [(L)MnIV(O)]2+–(HOTf)2. In contrast, deceleration was observed in the rate of H-atom transfer (HAT) reaction of [(L)MnIV(O)]2+–(HOTf)2 complexes with 1,4-cyclohexadiene as compared with those of the [(L)MnIV(O)]2+ complexes. Thus, the binding of two HOTf molecules to the MnIV(O) moiety resulted in remarkable acceleration of the ET rate when the ET is thermodynamically feasible. When the ET reaction is highly endergonic, the rate of the HAT reaction is decelerated due to the steric effect of the counter anion of HOTf.« less

  5. 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.

  6. Photochemical tissue bonding

    DOE Patents [OSTI]

    Redmond, Robert W. (Brookline, MA); Kochevar, Irene E. (Charlestown, MA)

    2012-01-10

    Photochemical tissue bonding methods include the application of a photosensitizer to a tissue and/or tissue graft, followed by irradiation with electromagnetic energy to produce a tissue seal. The methods are useful for tissue adhesion, such as in wound closure, tissue grafting, skin grafting, musculoskeletal tissue repair, ligament or tendon repair and corneal repair.

  7. Mechanically interlocked architectures via active-metal template strategies 

    E-Print Network [OSTI]

    Hänni, Kevin D.

    2009-01-01

    In contrast to the classic ‘passive template’ approach, an ‘active-metal’ template strategy involves a metal centre which acts as both a template and the catalyst for covalent bond formation in the construction of ...

  8. Metal-organic framework materials with ultrahigh surface areas

    DOE Patents [OSTI]

    Farha, Omar K.; Hupp, Joseph T.; Wilmer, Christopher E.; Eryazici, Ibrahim; Snurr, Randall Q.; Gomez-Gualdron, Diego A.; Borah, Bhaskarjyoti

    2015-12-22

    A metal organic framework (MOF) material including a Brunauer-Emmett-Teller (BET) surface area greater than 7,010 m.sup.2/g. Also a metal organic framework (MOF) material including hexa-carboxylated linkers including alkyne bond. Also a metal organic framework (MOF) material including three types of cuboctahedron cages fused to provide continuous channels. Also a method of making a metal organic framework (MOF) material including saponifying hexaester precursors having alkyne bonds to form a plurality of hexa-carboxylated linkers including alkyne bonds and performing a solvothermal reaction with the plurality of hexa-carboxylated linkers and one or more metal containing compounds to form the MOF material.

  9. Hybrid Two-Dimensional Electronic Systems and Other Applications of sp-2 Bonded Light Elements

    E-Print Network [OSTI]

    Kessler, Brian Maxwell

    2010-01-01

    A.4 A.5 vii List of Tables DOE Hydrogen Storage Targets forsp-2 Bonded Materials 5 Hydrogen Storage 5.1 Motivation andJeffrey R. Long. Hydrogen storage in a microporous metal-

  10. Process for protecting bonded components from plating shorts

    DOE Patents [OSTI]

    Tarte, Lisa A. (Livermore, CA); Bonde, Wayne L. (Pleasanton, CA); Carey, Paul G. (Mountain View, CA); Contolini, Robert J. (Pleasanton, CA); McCarthy, Anthony M. (Menlo Park, CA)

    2000-01-01

    A method which protects the region between a component and the substrate onto which the components is bonded using an electrically insulating fillet of photoresist. The fillet protects the regions from subsequent plating with metal and therefore shorting the plated conductors which run down the sides of the component and onto the substrate.

  11. Multilayer roll bonded aluminium foil: processing, microstructure and flow stress

    SciTech Connect (OSTI)

    Barlow, C.Y.; Nielsen, P.; Hansen, N

    2004-08-02

    Bulk aluminium has been produced by warm-rolling followed by cold-rolling of commercial purity (99% purity) aluminium foil. The bonding appeared perfect from observation with the naked eye, light and transmission electron microscopy. By comparison with bulk aluminium of similar purity (AA1200) rolled to a similar strain (90%RA), the roll-bonded metal showed a much higher density of high-angle grain boundaries, similar strength and improved thermal stability. This study has implications for a number of applications in relation to the processing of aluminium. Roll bonding is of interest as a method for grain size refinement; oxide-containing materials have increased strength, enhanced work-hardening behaviour, and exhibit alterations in recrystallisation behaviour. The behaviour of the hard oxide film is of interest in aluminium processing, and has been investigated by characterising the size and distribution of oxide particles in the roll-bonded samples.

  12. Synthesis and Exploratory Catalysis of 3d Metals: Group-Transfer Reactions, and the Activation and Functionalization of Small Molecules Including Greenhouse Gases

    SciTech Connect (OSTI)

    Mindiola, Daniel J.

    2014-05-07

    Our work over the past three years has resulted in the development of electron rich and low-coordinate vanadium fragments, molecular nitrides of vanadium and parent imide systems of titanium, and the synthesis of phosphorus containing molecules of the 3d transition metal series. Likewise, with financial support from BES Division in DOE (DE-FG02-07ER15893), we now completed the full characterization of the first single molecular magnet (SMM) of Fe(III). We demonstrated that this monomeric form of Fe(III) has an unusual slow relaxation of the magnetization under zero applied field. To make matters more interesting, this system also undergoes a rare example of an intermediate to high-spin transition (an S = 3/2 to S = 5/2 transition). In 2010 we reported the synthesis of the first neutral and low-coordinate vanadium complexes having the terminal nitride functionality. We have now completed a full study to understand formation of the nitride ligand from the metastable azide precursor, and have also explored the reactivity of the nitride ligand in the context of incomplete and complete N-atom transfer. During the 2010-2013 period we also discovered a facile approach to assemble low-coordinate and low-valent vanadium(II) complexes and exploit their multielectron chemistry ranging from 1-3 electrons. Consequently, we can now access 3d ligand frameworks such as cyclo-P3 (and its corresponding radical anion), nitride radical anions and cations, low-coordinate vanadium oxo’s, and the first example of a vanadium thionitrosyl complex. A cis-divacant iron(IV) imido having some ligand centered radical has been also discovered, and we are in the process of elucidating its electronic structure (in particular the sign of zero field splitting and the origin of its magnitude), bonding and reactivity. We have also revisited some paramagnetic and classic metallocene compounds with S >1/2 ground states in order to understand their reactivity patterns and electronic structure. Lastly, we are completing the synthesis and characterization of a titanium nitride anion and formation of the first example of boryl and aluminyl imido titanium complexes.

  13. Use of Transition Metal Forms in Separation of Lipid Components 

    E-Print Network [OSTI]

    Kulkarni, Sayali V

    2014-08-01

    AND MATERIALS ................................................................................. 16 3.1 Evaluation of Effectives of Free Forms of Transition Metal Ions to form Complexes with Olefinic Double Bond in an Organic- Aqueous Two-Phase System... ............................................... 24 4. RESULTS AND DISCUSSION .................................................................................. 26 4.1 Evaluation of Effectives of Transition Metal Ions to form Complexes with Olefinic Double Bond in an Organic-Aqueous Two- Phase...

  14. Low temperature reactive bonding

    DOE Patents [OSTI]

    Makowiecki, D.M.; Bionta, R.M.

    1995-01-17

    The joining technique is disclosed that requires no external heat source and generates very little heat during joining. It involves the reaction of thin multilayered films deposited on faying surfaces to create a stable compound that functions as an intermediate or braze material in order to create a high strength bond. While high temperatures are reached in the reaction of the multilayer film, very little heat is generated because the films are very thin. It is essentially a room temperature joining process. 5 figures.

  15. Ceramic to metal attachment system. [Ceramic electrode to metal conductor in MHD generator

    DOE Patents [OSTI]

    Marchant, D.D.

    1983-06-10

    A composition and method are described for attaching a ceramic electrode to a metal conductor. A layer of randomly interlocked metal fibers saturated with polyimide resin is sandwiched between the ceramic electrode and the metal conductor. The polyimide resin is then polymerized providing bonding.

  16. THE COORDINATION CHEMISTRY OF METAL SURFACES

    SciTech Connect (OSTI)

    Muetterties, Earl L.

    1980-10-01

    In coordinately unsaturated molecular metal complexes, carbon-hydrogen bonds of the peripheral ligands may, if the stereochemistry allows, closely approach a metal center so as to develop a three-center two-electron bond between the carbon, the hydrogen, and the metal atoms, C-H-M. In some instances, the interaction .is followed by a scission of the C-H bond whereby the metal is effectively oxidized and discrete M-H and M-C {sigma} bonds are forrned. This class of metal-hydrogen-carbon interactions and reactions is shown to be a common phenomenon in metal surface chemistry. Ultra high vacuum studies of nickel and platinum with simple organic molecules like olefins, and arenes are described. These surface chemistry studies were done as a function of surface crystallography and surface composition. The discussion is largely limited to the chemistry of methyl isocyanide, acetonitrile, benzene and toluene. Molecular orbital calculations are presented that support the experimental identification of the importance of C-H-M metal bonding for metal surfaces.

  17. Chemically bonded phospho-silicate ceramics

    DOE Patents [OSTI]

    Wagh, Arun S. (Orland Park, IL); Jeong, Seung Y. (Westmont, IL); Lohan, Dirk (Chicago, IL); Elizabeth, Anne (Chicago, IL)

    2003-01-01

    A chemically bonded phospho-silicate ceramic formed by chemically reacting a monovalent alkali metal phosphate (or ammonium hydrogen phosphate) and a sparsely soluble oxide, with a sparsely soluble silicate in an aqueous solution. The monovalent alkali metal phosphate (or ammonium hydrogen phosphate) and sparsely soluble oxide are both in powder form and combined in a stochiometric molar ratio range of (0.5-1.5):1 to form a binder powder. Similarly, the sparsely soluble silicate is also in powder form and mixed with the binder powder to form a mixture. Water is added to the mixture to form a slurry. The water comprises 50% by weight of the powder mixture in said slurry. The slurry is allowed to harden. The resulting chemically bonded phospho-silicate ceramic exhibits high flexural strength, high compression strength, low porosity and permeability to water, has a definable and bio-compatible chemical composition, and is readily and easily colored to almost any desired shade or hue.

  18. Better Bonded Ethernet Load Balancing

    SciTech Connect (OSTI)

    Gabler, Jason

    2006-09-29

    When a High Performance Storage System's mover shuttles large amounts of data to storage over a single Ethernet device that single channel can rapidly become saturated. Using Linux Ethernet channel bonding to address this and similar situations was not, until now, a viable solution. The various modes in which channel bonding could be configured always offered some benefit but only under strict conditions or at a system resource cost that was greater than the benefit gained by using channel bonding. Newer bonding modes designed by various networking hardware companies, helpful in such networking scenarios, were already present in their own switches. However, Linux-based systems were unable to take advantage of those new modes as they had not yet been implemented in the Linux kernel bonding driver. So, except for basic fault tolerance, Linux channel bonding could not positively combine separate Ethernet devices to provide the necessary bandwidth.

  19. Metal deposition using seed layers

    DOE Patents [OSTI]

    Feng, Hsein-Ping; Chen, Gang; Bo, Yu; Ren, Zhifeng; Chen, Shuo; Poudel, Bed

    2013-11-12

    Methods of forming a conductive metal layers on substrates are disclosed which employ a seed layer to enhance bonding, especially to smooth, low-roughness or hydrophobic substrates. In one aspect of the invention, the seed layer can be formed by applying nanoparticles onto a surface of the substrate; and the metallization is achieved by electroplating an electrically conducting metal onto the seed layer, whereby the nanoparticles serve as nucleation sites for metal deposition. In another approach, the seed layer can be formed by a self-assembling linker material, such as a sulfur-containing silane material.

  20. Method for bonding thin film thermocouples to ceramics

    DOE Patents [OSTI]

    Kreider, Kenneth G. (Potomac, MD)

    1993-01-01

    A method is provided for adhering a thin film metal thermocouple to a ceramic substrate used in an environment up to 700 degrees Centigrade, such as at a cylinder of an internal combustion engine. The method includes the steps of: depositing a thin layer of a reactive metal on a clean ceramic substrate; and depositing thin layers of platinum and a platinum-10% rhodium alloy forming the respective legs of the thermocouple on the reactive metal layer. The reactive metal layer serves as a bond coat between the thin noble metal thermocouple layers and the ceramic substrate. The thin layers of noble metal are in the range of 1-4 micrometers thick. Preferably, the ceramic substrate is selected from the group consisting of alumina and partially stabilized zirconia. Preferably, the thin layer of reactive metal is in the range of 0.015-0.030 micrometers (15-30 nanometers) thick. The preferred reactive metal is chromium. Other reactive metals may be titanium or zirconium. The thin layer of reactive metal may be deposited by sputtering in ultra high purity argon in a vacuum of approximately 2 milliTorr (0.3 Pascals).

  1. Steel bonded dense silicon nitride compositions and method for their fabrication

    DOE Patents [OSTI]

    Landingham, Richard L. (Livermore, CA); Shell, Thomas E. (Tracy, CA)

    1987-01-01

    A two-stage bonding technique for bonding high density silicon nitride and other ceramic materials to stainless steel and other hard metals, and multilayered ceramic-metal composites prepared by the technique are disclosed. The technique involves initially slurry coating a surface of the ceramic material at about 1500.degree. C. in a vacuum with a refractory material and the stainless steel is then pressure bonded to the metallic coated surface by brazing it with nickel-copper-silver or nickel-copper-manganese alloys at a temperature in the range of about 850.degree. to 950.degree. C. in a vacuum. The two-stage bonding technique minimizes the temperature-expansion mismatch between the dissimilar materials.

  2. Metallic carbon materials

    DOE Patents [OSTI]

    Cohen, Marvin Lou (Berkeley, CA); Crespi, Vincent Henry (Darien, IL); Louie, Steven Gwon Sheng (Berkeley, CA); Zettl, Alexander Karlwalter (Kensington, CA)

    1999-01-01

    Novel metallic forms of planar carbon are described, as well as methods of designing and making them. Nonhexagonal arrangements of carbon are introduced into a graphite carbon network essentially without destroying the planar structure. Specifically a form of carbon comprising primarily pentagons and heptagons, and having a large density of states at the Fermi level is described. Other arrangements of pentagons and heptagons that include some hexagons, and structures incorporating squares and octagons are additionally disclosed. Reducing the bond angle symmetry associated with a hexagonal arrangement of carbons increases the likelihood that the carbon material will have a metallic electron structure.

  3. In Situ Analysis of 8-Oxo-7,8-dihydro-2?-deoxyguanosine Oxidation Reveals Sequence- and Agent-Specific Damage Spectra

    E-Print Network [OSTI]

    Lim, Kok Seong

    Guanine is a major target for oxidation in DNA, with 8-oxo-7,8-dihydro-2?-deoxyguanosine (8-oxodG) as a major product. 8-oxodG is itself significantly more susceptible to oxidation than guanine, with the resulting damage ...

  4. Noncovalent interaction or chemical bonding between alkaline earth cations and benzene? A quantum chemistry study using

    E-Print Network [OSTI]

    Sussman, Joel L.

    Noncovalent interaction or chemical bonding between alkaline earth cations and benzene? A quantum earth metal ion±benzene complexes were performed using the density-functional theory (DFT) B3LYP and ab of the al- kaline earth metal ions to benzene may be attributed to s±p and p±p interactions, which are signi

  5. Quantum Confinement in Hydrogen Bond

    E-Print Network [OSTI]

    Carlos da Silva dos Santos; Elso Drigo Filho; Regina Maria Ricotta

    2015-02-09

    In this work, the quantum confinement effect is proposed as the cause of the displacement of the vibrational spectrum of molecular groups that involve hydrogen bonds. In this approach the hydrogen bond imposes a space barrier to hydrogen and constrains its oscillatory motion. We studied the vibrational transitions through the Morse potential, for the NH and OH molecular groups inside macromolecules in situation of confinement (when hydrogen bonding is formed) and non-confinement (when there is no hydrogen bonding). The energies were obtained through the variational method with the trial wave functions obtained from Supersymmetric Quantum Mechanics (SQM) formalism. The results indicate that it is possible to distinguish the emission peaks related to the existence of the hydrogen bonds. These analytical results were satisfactorily compared with experimental results obtained from infrared spectroscopy.

  6. Nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Aksay, Ilhan A.; Choi, Daiwon; Wang, Donghai; Yang, Zhenguo

    2012-09-04

    Nanocomposite materials comprising a metal oxide bonded to at least one graphene material. The nanocomposite materials exhibit a specific capacity of at least twice that of the metal oxide material without the graphene at a charge/discharge rate greater than about 10C.

  7. Nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Aksay, Ilhan A.; Choi, Daiwon; Wang, Donghai; Yang, Zhenguo

    2013-10-15

    Nanocomposite materials comprising a metal oxide bonded to at least one graphene material. The nanocomposite materials exhibit a specific capacity of at least twice that of the metal oxide material without the graphene at a charge/discharge rate greater than about 10 C.

  8. Physical Nature of Hydrogen Bond

    E-Print Network [OSTI]

    Zhyganiuk, I V

    2015-01-01

    The physical nature and the correct definition of hydrogen bond (H-bond) are considered.\\,\\,The influence of H-bonds on the thermodynamic, kinetic, and spectroscopic properties of water is analyzed.\\,\\,The conventional model of H-bonds as sharply directed and saturated bridges between water molecules is incompatible with the behavior of the specific volume, evaporation heat, and self-diffusion and kinematic shear viscosity coefficients of water. On the other hand, it is shown that the variation of the dipole moment of a water molecule and the frequency shift of valence vibrations of a hydroxyl group can be totally explained in the framework of the electrostatic model of H-bond.\\,\\,At the same time, the temperature dependences of the heat capacity of water in the liquid and vapor states clearly testify to the existence of weak H-bonds.\\,\\,The analysis of a water dimer shows that the contribution of weak H-bonds to its ground state energy is approximately 4--5 times lower in comparison with the energy of electr...

  9. A trinuclear oxo-chromium(III) complex containing the natural flavonoid primuletin: Synthesis, characterization, and antiradical properties

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

    Rocha, Reginaldo C.; Alexiou, Anamaria D.P.; Decandio, Carla C.; Almeida, Sabrina da N.; Ferreira, Marcelo J.P.; Romoff, Paulete

    2015-04-10

    A new trinuclear oxo-centered chromium(III) complex with formula [Cr?O(CH?CO?)?(L)(H?O)?] (L = 5-hydroxyflavone, known as primuletin) was synthetized and characterized by ESI mass spectrometry, thermogravimetry, and ąH-NMR, UV-Vis, and FTIR spectroscopies. In agreement with the experimental results, DFT calculations indicated that the flavonoid ligand is coordinated to one of the three Cr(III) centers in an O,O-bidentate mode through the 5-hydroxy/4-keto groups. In a comparative study involving the uncoordinated primuletin and its corresponding complex, systematic reactions with the free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) showed that antiradical activity increases upon complexation.

  10. Fusion bonding and alignment fixture

    DOE Patents [OSTI]

    Ackler, Harold D. (Sunnyvale, CA); Swierkowski, Stefan P. (Livermore, CA); Tarte, Lisa A. (Livermore, CA); Hicks, Randall K. (Stockton, CA)

    2000-01-01

    An improved vacuum fusion bonding structure and process for aligned bonding of large area glass plates, patterned with microchannels and access holes and slots, for elevated glass fusion temperatures. Vacuum pumpout of all the components is through the bottom platform which yields an untouched, defect free top surface which greatly improves optical access through this smooth surface. Also, a completely non-adherent interlayer, such as graphite, with alignment and location features is located between the main steel platform and the glass plate pair, which makes large improvements in quality, yield, and ease of use, and enables aligned bonding of very large glass structures.

  11. Method for vacuum fusion bonding

    DOE Patents [OSTI]

    Ackler, Harold D. (Sunnyvale, CA); Swierkowski, Stefan P. (Livermore, CA); Tarte, Lisa A. (Livermore, CA); Hicks, Randall K. (Stockton, CA)

    2001-01-01

    An improved vacuum fusion bonding structure and process for aligned bonding of large area glass plates, patterned with microchannels and access holes and slots, for elevated glass fusion temperatures. Vacuum pumpout of all components is through the bottom platform which yields an untouched, defect free top surface which greatly improves optical access through this smooth surface. Also, a completely non-adherent interlayer, such as graphite, with alignment and location features is located between the main steel platform and the glass plate pair, which makes large improvements in quality, yield, and ease of use, and enables aligned bonding of very large glass structures.

  12. Low Temperature Material Bonding Techniq Ue

    DOE Patents [OSTI]

    Ramsey, J. Michael (Knoxville, TN); Foote, Robert S. (Oak Ridge, TN)

    2002-08-06

    A method of performing a lower temperature bonding technique to bond together two mating pieces of glass includes applying a sodium silicate aqueous solution between the two pieces.

  13. Hydrogen Bond Shaping of Membrane Protein Structure

    E-Print Network [OSTI]

    Cao, Zheng

    2013-01-01

    2 1.3. HYDROGEN BOND STRENGTHAND EQUILIBRIUM HYDROGEN / DEUTERIUM FRACTIONATION4 1.4. MEASUING HYDROGEN BOND STRENGTH IN A MEMBRANE PROTEIN

  14. A mechanochemical strategy for IRMOFs assembly based on pre-designed oxo-zinc precursors

    E-Print Network [OSTI]

    Prochowicz, D.; Soko?owski, K.; Justyniak, I.; Kornowicz, A.; Fairen-Jimenez, D.; Friš?i?, T.; Lewi?ski, J.

    2015-01-23

    -zinc amidate cluster appeared as a very efficient precursor to IRMOFs. Metal–organic frameworks (MOFs) have attracted major interest due to their applications in gas storage, separation, catalysis and sensing.1 One of the archetypal and still most prominent... , 22, 5216. 10 A. Czaja, E. Leung, N. Trukhan, U. Muller in Metal-Organic Frameworks: Applications from Catalysis to Gas Storage, 340 (Wiley-VCH 2011). 11 For very rare example of the application of pre-assembly SBUs for the synthesis of certain...

  15. Materials Science and Engineering A 394 (2005) 4352 NiAl bond coats made by a directed vapor deposition approach

    E-Print Network [OSTI]

    Wadley, Haydn

    2005-01-01

    Materials Science and Engineering A 394 (2005) 43­52 NiAl bond coats made by a directed vapor materials in thermal barrier coating systems applied to nickel base super alloy components. They are usually to nickel base su- peralloy components used in gas turbine engines [1]. In these systems, a metallic bond

  16. Energetics of C-H Bond Activation of Fluorinated Aromatic Hydrocarbons Using a [TpRh(CNneopentyl)] Complex

    E-Print Network [OSTI]

    Jones, William D.

    Energetics of C-H Bond Activation of Fluorinated Aromatic Hydrocarbons Using a [Tp activation of fluorinated aromatic hydrocarbons by [TpRh(CNneopentyl)] resulted in the formation of products of homogeneous transition-metal catalysts to activate and functionalize C-H bonds of hydrocarbons for industrial

  17. Sandia Energy - Diffusion Bonding Characterization

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

    bond surface is poor or only the region near this corner. Diffusion 7-8-9 "Diffusion Welding and Brazing," in Welding Handbook, 7th ed., American Welding Society, 1980, p 311-335...

  18. Method for joining carbon-carbon composites to metals

    DOE Patents [OSTI]

    Lauf, R.J.; McMillan, A.D.; Moorhead, A.J.

    1997-07-15

    A method for joining carbon-carbon composites to metals by brazing. Conventional brazing of recently developed carbon-bonded carbon fiber (CBCF) material to a metal substrate is limited by the tendency of the braze alloy to ``wick`` into the CBCF composite rather than to form a strong bond. The surface of the CBCF composite that is to be bonded is first sealed with a fairly dense carbonaceous layer achieved by any of several methods. The sealed surface is then brazed to the metal substrate by vacuum brazing with a Ti-Cu-Be alloy. 1 fig.

  19. Metal interactions and activities of truncated and extended hammerhead ribozyme constructs 

    E-Print Network [OSTI]

    Osborne, Edith Marie

    2007-04-25

    The hammerhead ribozyme (HHRz) catalyzes a site-specific phosphodiester bond cleavage reaction that is enhanced by the presence of metal cations. Metal cations are thought to aid in the folding and possibly the catalytic mechanism of this ribozyme...

  20. Displacement of the proton in hydrogen-bonded complexes of hydrogen fluoride by beryllium and magnesium ions

    SciTech Connect (OSTI)

    McDowell, Sean A. C. [Department of Biological and Chemical Sciences, University of the West Indies, Cave Hill Campus (Barbados)

    2009-05-14

    The displacement of the proton by a beryllium ion and by a magnesium ion from hydrogen-bonded complexes of hydrogen fluoride, of varying hydrogen bond strengths, was investigated theoretically using ab initio methods. Stable metal-containing species were obtained from all of the hydrogen-bonded complexes regardless of the strength of the hydrogen bond. It was found that the beryllium ion was energetically very effective in displacing the proton from hydrogen bonds, whereas the magnesium ion was unable to do so. The high stability of the beryllium-containing complexes is mainly due to the strong electrostatic bonding between the beryllium and fluoride atoms. This work supports the recent finding from a multidisciplinary bioinorganic study that beryllium displaces the proton in many strong hydrogen bonds.

  1. Method for adhesion of metal films to ceramics

    DOE Patents [OSTI]

    Lowndes, D.H.; Pedraza, A.J.; DeSilva, M.J.; Kumar, R.A.

    1997-12-30

    Methods for making strongly bonded metal-ceramic materials are disclosed. The methods include irradiating a portion of the surface of the ceramic material with a pulsed ultraviolet laser having an energy density sufficient to effect activation of the irradiated surface of the ceramic material so that adhesion of metals subsequently deposited onto the irradiated surface is substantially increased. Advantages of the invention include (i) the need for only a small number of laser pulses at relatively low focused energy density, (ii) a smoother substrate surface, (iii) activation of the laser-treated surface which provides a chemical bond between the surface and a metal deposited thereon, (iv) only low temperature annealing is required to produce the strong metal-ceramic bond; (v) the ability to obtain strong adhesion between ceramic materials and oxidation resistant metals; (vi) ability to store the laser treated ceramic materials for later deposition of metals thereon. 7 figs.

  2. Method for adhesion of metal films to ceramics

    DOE Patents [OSTI]

    Lowndes, Douglas H. (Knoxville, TN); Pedraza, Anthony J. (Oak Ridge, TN); DeSilva, Melvin J. (Ithaca, NY); Kumar, Rajagopalan A. (Knoxville, TN)

    1997-01-01

    Methods for making strongly bonded metal-ceramic materials. The methods include irradiating a portion of the surface of the ceramic material with a pulsed ultraviolet laser having an energy density sufficient to effect activation of the irradiated surface of the ceramic material so that adhesion of metals subsequently deposited onto the irradiated surface is substantially increased. Advantages of the invention include (i) the need for only a small number of laser pulses at relatively low focused energy density, (ii) a smoother substrate surface, (iii) activation of the laser-treated surface which provides a chemical bond between the surface and a metal deposited thereon, (iv) only low temperature annealing is required to produce the strong metal-ceramic bond; (v) the ability to obtain strong adhesion between ceramic materials and oxidation resistant metals; (vi) ability to store the laser treated ceramic materials for later deposition of metals thereon.

  3. Bond percolation on multiplex networks

    E-Print Network [OSTI]

    Hackett, A; Gómez, S; Arenas, A; Gleeson, J P

    2015-01-01

    We present an analytical approach for bond percolation on multiplex networks and use it to determine the expected size of the giant connected component and the value of the critical bond occupation probability in these networks. We advocate the relevance of these tools to the modeling of multilayer robustness and contribute to the debate on whether any benefit is to be yielded from studying a full multiplex structure as opposed to its monoplex projection, especially in the seemingly irrelevant case of a bond occupation probability that does not depend on the layer. Although we find that in many cases the predictions of our theory for multiplex networks coincide with previously derived results for monoplex networks, we also uncover the remarkable result that for a certain class of multiplex networks, well described by our theory, new critical phenomena occur as multiple percolation phase transitions are present. We provide an instance of this phenomenon in a multipex network constructed from London rail and Eu...

  4. Metal aminoboranes

    DOE Patents [OSTI]

    Burrell, Anthony K.; Davis, Benjamin J.; Thorn, David L.; Gordon, John C.; Baker, R. Thomas; Semelsberger, Troy Allen; Tumas, William; Diyabalanage, Himashinie Vichalya Kaviraj; Shrestha, Roshan P.

    2010-05-11

    Metal aminoboranes of the formula M(NH.sub.2BH.sub.3).sub.n have been synthesized. Metal aminoboranes are hydrogen storage materials. Metal aminoboranes are also precursors for synthesizing other metal aminoboranes. Metal aminoboranes can be dehydrogenated to form hydrogen and a reaction product. The reaction product can react with hydrogen to form a hydrogen storage material. Metal aminoboranes can be included in a kit.

  5. Self assembled multi-layer nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Aksay, Ilhan A; Choi, Daiwon; Kou, Rong; Nie, Zimin; Wang, Donghai; Yang, Zhenguo

    2013-10-22

    Nanocomposite materials having at least two layers, each layer consisting of one metal oxide bonded to at least one graphene layer were developed. The nanocomposite materials will typically have many alternating layers of metal oxides and graphene layers, bonded in a sandwich type construction and will be incorporated into an electrochemical or energy storage device.

  6. Self assembled multi-layer nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Choi, Daiwon; Kou, Rong; Nie, Zimin; Wang, Donghai; Yang, Zhenguo

    2014-09-16

    Nanocomposite materials having at least two layers, each layer consisting of one metal oxide bonded to at least one graphene layer were developed. The nanocomposite materials will typically have many alternating layers of metal oxides and graphene layers, bonded in a sandwich type construction and will be incorporated into an electrochemical or energy storage device.

  7. Method for providing adhesion to a metal surface

    DOE Patents [OSTI]

    Harrah, L.A.; Allred, R.E.; Wilson, K.V. Jr.

    1992-02-18

    A process for treating metal surfaces to obtain improved susceptibility to bonding with adhesive compositions is disclosed. A metal surface is oxidized with a halogen to form a monolayer of halide ions on the surface. The halide ions are then exchanged with azide ions to form an azide monolayer on the metal surface. Upon contact of the treated surface with an adhesive composition, the azide layer may be thermally or photochemically decomposed to form active nitrene species, which react to bond the adhesive composition to the metal surface.

  8. Method for providing adhesion to a metal surface

    DOE Patents [OSTI]

    Harrah, Larry A. (Albuquerque, NM); Allred, Ronald E. (Albuquerque, NM); Wilson, Jr., Kennard V. (Albuquerque, NM)

    1992-01-01

    A process for treating metal surfaces to obtain improved susceptibility to bonding with adhesive compositions is disclosed. A metal surface is oxidized with a halogen to form a monolayer of halide ions on the surface. The halide ions are then exchanged with azide ions to form an azide monolayer on the metal surface. Upon contact of the treated surface with an adhesive composition, the azide layer may be thermally or photochemically decomposed to form active nitrene species, which react to bond the adhesive composition to the metal surface.

  9. Bond Underwriter Costs: Texas School Districts and the Hidden Cost of Issuing Bonds 

    E-Print Network [OSTI]

    Stasny, Mary Knetsar

    2011-02-22

    The purpose of this study was to investigate possible relationships between school district characteristics and bond underwriter costs for Texas independent school districts. Bond data for all school districts issuing bonds in the five-year period...

  10. Enhanced rigid-bond restraints

    SciTech Connect (OSTI)

    Thorn, Andrea; Dittrich, Birger; Sheldrick, George M., E-mail: gsheldr@shelx.uni-ac.gwdg.de [Department of Structural Chemistry, University of Göttingen, Tammannstrasse 4, D-37077 Göttingen (Germany)

    2012-07-01

    An extension is proposed to the rigid-bond description of atomic thermal motion in crystals. The rigid-bond model [Hirshfeld (1976 ?). Acta Cryst. A32, 239–244] states that the mean-square displacements of two atoms are equal in the direction of the bond joining them. This criterion is widely used for verification (as intended by Hirshfeld) and also as a restraint in structure refinement as suggested by Rollett [Crystallographic Computing (1970 ?), edited by F. R. Ahmed et al., pp. 167–181. Copenhagen: Munksgaard]. By reformulating this condition, so that the relative motion of the two atoms is required to be perpendicular to the bond, the number of restraints that can be applied per anisotropic atom is increased from about one to about three. Application of this condition to 1,3-distances in addition to the 1,2-distances means that on average just over six restraints can be applied to the six anisotropic displacement parameters of each atom. This concept is tested against very high resolution data of a small peptide and employed as a restraint for protein refinement at more modest resolution (e.g. 1.7 Ĺ)

  11. Bonded polyimide fuel cell package

    DOE Patents [OSTI]

    Morse, Jeffrey D.; Jankowski, Alan; Graff, Robert T.; Bettencourt, Kerry

    2010-06-08

    Described herein are processes for fabricating microfluidic fuel cell systems with embedded components in which micron-scale features are formed by bonding layers of DuPont Kapton.TM. polyimide laminate. A microfluidic fuel cell system fabricated using this process is also described.

  12. Measurement of Gas Evolution from PUNB Bonded Sand as a Function of Temperature G. Samuels and C. Beckermann

    E-Print Network [OSTI]

    Beckermann, Christoph

    molds and cores thermally decompose when subjected to the high temperature conditions in metal casting binder gas can profoundly influence the quality of metal castings2-4 . Defects associated with binder gas generation from bonded sand molds and cores, with blowholes and pinholes being the most common5-9 , result

  13. Silicon-nitride and metal composite

    DOE Patents [OSTI]

    Landingham, Richard L. (Livermore, CA); Huffsmith, Sarah A. (Urbana, IL)

    1981-01-01

    A composite and a method for bonding the composite. The composite includes a ceramic portion of silicon nitride, a refractory metal portion and a layer of MoSi.sub.2 indirectly bonding the composite together. The method includes contacting the layer of MoSi.sub.2 with a surface of the silicon nitride and with a surface of the metal; heating the layer to a temperature below 1400.degree. C.; and, simultaneously with the heating, compressing the layer such that the contacting is with a pressure of at least 30 MPa. This composite overcomes useful life problems in the fabrication of parts for a helical expander for use in power generation.

  14. Method of measuring metal coating adhesion

    DOE Patents [OSTI]

    Roper, John R. (Northglenn, CO)

    1985-01-01

    A method for measuring metal coating adhesion to a substrate material comprising the steps of preparing a test coupon of substrate material having the metal coating applied to one surface thereof, applying a second metal coating of gold or silver to opposite surfaces of the test coupon by hot hollow cathode process, applying a coating to one end of each of two pulling rod members, joining the coated ends of the pulling rod members to said opposite coated surfaces of the test coupon by a solid state bonding technique and finally applying instrumented static tensile loading to the pulling rod members until fracture of the metal coating adhesion to the substrate material occurs.

  15. Rhodium-Catalyzed C-C Bond Formation via Heteroatom-Directed C-H Bond Activation

    SciTech Connect (OSTI)

    Colby, Denise; Bergman, Robert; Ellman, Jonathan

    2010-05-13

    Once considered the 'holy grail' of organometallic chemistry, synthetically useful reactions employing C-H bond activation have increasingly been developed and applied to natural product and drug synthesis over the past decade. The ubiquity and relative low cost of hydrocarbons makes C-H bond functionalization an attractive alternative to classical C-C bond forming reactions such as cross-coupling, which require organohalides and organometallic reagents. In addition to providing an atom economical alternative to standard cross - coupling strategies, C-H bond functionalization also reduces the production of toxic by-products, thereby contributing to the growing field of reactions with decreased environmental impact. In the area of C-C bond forming reactions that proceed via a C-H activation mechanism, rhodium catalysts stand out for their functional group tolerance and wide range of synthetic utility. Over the course of the last decade, many Rh-catalyzed methods for heteroatom-directed C-H bond functionalization have been reported and will be the focus of this review. Material appearing in the literature prior to 2001 has been reviewed previously and will only be introduced as background when necessary. The synthesis of complex molecules from relatively simple precursors has long been a goal for many organic chemists. The ability to selectively functionalize a molecule with minimal pre-activation can streamline syntheses and expand the opportunities to explore the utility of complex molecules in areas ranging from the pharmaceutical industry to materials science. Indeed, the issue of selectivity is paramount in the development of all C-H bond functionalization methods. Several groups have developed elegant approaches towards achieving selectivity in molecules that possess many sterically and electronically similar C-H bonds. Many of these approaches are discussed in detail in the accompanying articles in this special issue of Chemical Reviews. One approach that has seen widespread success involves the use of a proximal heteroatom that serves as a directing group for the selective functionalization of a specific C-H bond. In a survey of examples of heteroatom-directed Rh catalysis, two mechanistically distinct reaction pathways are revealed. In one case, the heteroatom acts as a chelator to bind the Rh catalyst, facilitating reactivity at a proximal site. In this case, the formation of a five-membered metallacycle provides a favorable driving force in inducing reactivity at the desired location. In the other case, the heteroatom initially coordinates the Rh catalyst and then acts to stabilize the formation of a metal-carbon bond at a proximal site. A true test of the utility of a synthetic method is in its application to the synthesis of natural products or complex molecules. Several groups have demonstrated the applicability of C-H bond functionalization reactions towards complex molecule synthesis. Target-oriented synthesis provides a platform to test the effectiveness of a method in unique chemical and steric environments. In this respect, Rh-catalyzed methods for C-H bond functionalization stand out, with several syntheses being described in the literature that utilize C-H bond functionalization in a key step. These syntheses are highlighted following the discussion of the method they employ.

  16. Hydrogen Bond Shaping of Membrane Protein Structure

    E-Print Network [OSTI]

    Cao, Zheng

    2013-01-01

    Energy of Amide Hydrogen Bond Formation in Vacuum, in Water, andEnergy of Amide Hydrogen Bond Formation in Vacuum, in Water, andto water is dependent on the zero-point energies, i.e. the

  17. The Market for Borrowing Corporate Bonds

    E-Print Network [OSTI]

    Asquith, Paul

    This paper describes the market for borrowing corporate bonds using a comprehensive data set from a major lender. The cost of borrowing corporate bonds is comparable to the cost of borrowing stock, between 10 and 20 basis ...

  18. Solid polymer battery electrolyte and reactive metal-water battery

    DOE Patents [OSTI]

    Harrup, Mason K. (Idaho Falls, ID); Peterson, Eric S. (Idaho Falls, ID); Stewart, Frederick F. (Idaho Falls, ID)

    2000-01-01

    In one implementation, a reactive metal-water battery includes an anode comprising a metal in atomic or alloy form selected from the group consisting of periodic table Group 1A metals, periodic table Group 2A metals and mixtures thereof. The battery includes a cathode comprising water. Such also includes a solid polymer electrolyte comprising a polyphosphazene comprising ligands bonded with a phosphazene polymer backbone. The ligands comprise an aromatic ring containing hydrophobic portion and a metal ion carrier portion. The metal ion carrier portion is bonded at one location with the polymer backbone and at another location with the aromatic ring containing hydrophobic portion. The invention also contemplates such solid polymer electrolytes use in reactive metal/water batteries, and in any other battery.

  19. APPLIED PHYSICS REVIEWSFOCUSED REVIEW Adhesive wafer bonding

    E-Print Network [OSTI]

    Lü, James Jian-Qiang

    APPLIED PHYSICS REVIEWS­FOCUSED REVIEW Adhesive wafer bonding F. Niklausa Microsystem Technology 9 February 2006 Wafer bonding with intermediate polymer adhesives is an important fabrication-dimensional integrated circuits, advanced packaging, and microfluidics. In adhesive wafer bonding, the polymer adhesive

  20. Clean Energy and Bond Finance Initiative

    Broader source: Energy.gov [DOE]

    Provides information on Clean Energy and Bond Finance Initiative (CE+BFI). CE+BFI brings together public infrastructure finance agencies, clean energy public fund managers and institutional investors across the country to explore how to raise capital at scale for clean energy development through bond financing. Author: Clean Energy and Bond Finance Initiative

  1. Composite metal foil and ceramic fabric materials

    DOE Patents [OSTI]

    Webb, B.J.; Antoniak, Z.I.; Prater, J.T.; DeSteese, J.G.

    1992-03-24

    The invention comprises new materials useful in a wide variety of terrestrial and space applications. In one aspect, the invention comprises a flexible cloth-like material comprising a layer of flexible woven ceramic fabric bonded with a layer of metallic foil. In another aspect, the invention includes a flexible fluid impermeable barrier comprising a flexible woven ceramic fabric layer having metal wire woven therein. A metallic foil layer is incontinuously welded to the woven metal wire. In yet another aspect, the invention includes a material comprising a layer of flexible woven ceramic fabric bonded with a layer of an organic polymer. In still another aspect, the invention includes a rigid fabric structure comprising a flexible woven ceramic fabric and a resinous support material which has been hardened as the direct result of exposure to ultraviolet light. Inventive methods for producing such material are also disclosed. 11 figs.

  2. Metal inks

    DOE Patents [OSTI]

    Ginley, David S; Curtis, Calvin J; Miedaner, Alex; van Hest, Marinus Franciscus Antonius Maria; Kaydanova, Tatiana

    2014-02-04

    Self-reducing metal inks and systems and methods for producing and using the same are disclosed. In an exemplary embodiment, a method may comprise selecting metal-organic (MO) precursor, selecting a reducing agent, and dissolving the MO precursor and the reducing agent in an organic solvent to produce a metal ink that remains in a liquid phase at room temperature. Metal inks, including self-reducing and fire-through metal inks, are also disclosed, as are various applications of the metal inks.

  3. Growth morphology and properties of metals on graphene

    SciTech Connect (OSTI)

    Liu, Xiaojie; Han, Yong; Evans, James W.; Engstfeld, Albert K.; Behm, R. Juergen; Tringides, Michael C.; Hupalo, Myron; Lin, Hai-Qing; Huang, Li; Ho, Kai-Ming; Appy, David; Thiel, Patricia A.; Wang, Cai-Zhuang

    2015-12-01

    Graphene, a single atomic layer of graphite, has been the focus of recent intensive studies due to its novel electronic and structural properties. Metals grown on graphene also have been of interest because of their potential use as metal contacts in graphene devices, for spintronics applications, and for catalysis. All of these applications require good understanding and control of the metal growth morphology, which in part reflects the strength of the metal–graphene bond. The interaction between graphene and metal is sufficiently strong to modify the electronic structure of graphene is also of great importance. We will discuss recent experimental and computational studies related to deposition of metals on graphene supported on various substrates (SiC, SiO2, and hexagonal close-packed metal surfaces). Of specific interest are the metal–graphene interactions (adsorption energies and diffusion barriers of metal adatoms), and the crystal structures and thermal stability of the metal nanoclusters.

  4. Growth morphology and properties of metals on graphene

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

    Liu, Xiaojie; Han, Yong; Evans, James W.; Engstfeld, Albert K.; Behm, R. Juergen; Tringides, Michael C.; Hupalo, Myron; Lin, Hai -Qing; Huang, Li; Ho, Kai -Ming; et al

    2015-12-01

    Graphene, a single atomic layer of graphite, has been the focus of recent intensive studies due to its novel electronic and structural properties. With this study, metals grown on graphene also have been of interest because of their potential use as metal contacts in graphene devices, for spintronics applications, and for catalysis. All of these applications require good understanding and control of the metal growth morphology, which in part reflects the strength of the metal–graphene bond. The interaction between graphene and metal is sufficiently strong to modify the electronic structure of graphene is also of great importance. We will discussmore »recent experimental and computational studies related to deposition of metals on graphene supported on various substrates (SiC, SiO2, and hexagonal close-packed metal surfaces). Of specific interest are the metal–graphene interactions (adsorption energies and diffusion barriers of metal adatoms), and the crystal structures and thermal stability of the metal nanoclusters.« less

  5. Bonding, antibonding and tunable optical forces in asymmetric membranes

    E-Print Network [OSTI]

    Hui, Pui-Chuen

    We demonstrate that tunable attractive (bonding) and repulsive (anti-bonding) forces can arise in highly asymmetric structures coupled to external radiation, a consequence of the bonding/anti-bonding level repulsion of ...

  6. Silicone metalization

    DOE Patents [OSTI]

    Maghribi, Mariam N. (Livermore, CA); Krulevitch, Peter (Pleasanton, CA); Hamilton, Julie (Tracy, CA)

    2008-12-09

    A system for providing metal features on silicone comprising providing a silicone layer on a matrix and providing a metal layer on the silicone layer. An electronic apparatus can be produced by the system. The electronic apparatus comprises a silicone body and metal features on the silicone body that provide an electronic device.

  7. Interface Evolution of Au-Au Thermocompression Bonding and Nanotwins

    E-Print Network [OSTI]

    Beekley, Brett

    2015-01-01

    bonds. Journal of Microelectromechanical Systems, 2004. 13(bonds. Journal of Microelectromechanical Systems, 2002. 11(packaging. Journal of Microelectromechanical Systems, 2000.

  8. Bond Programs | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmental JumpInformationBio-GasIllinois:Energy Authority JumpBond Programs Jump to:

  9. Bonding Tools | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustmentsShirley Ann JacksonDepartment|Marketing, LLC |Energycurrently provides technicalBonds are one of

  10. Bonding energies and long-range order in the trialuminides

    SciTech Connect (OSTI)

    Sparks, C.J.; Specht, E.D.; Ice, G.E.; Zschack, P.; Schneibel, J.

    1990-01-01

    The degree of long-range order in the trialuminides is determined by X-ray powder diffraction techniques. Long-range order exists to their melting points. For the binary trialuminides Al{sub 3}Ti, Al{sub 73}Ti{sub 27}, and Al{sub 3}Sc, the degree of long-range order is nearly perfect and is a measure of the lack of mixing of the aluminum atoms onto the sublattice occupied by either Ti or Sc. A calculation of the bond energy between neighboring pairs of atoms from the ordering (melting) temperature is made following the Bragg-Williams mean field theory approach. These bond energies compare favorably with more sophisticated calculations. Bond energies are found to be larger than the energy difference between the crystal structure forms DO{sub 22}, Ll{sub 2}, and DO{sub 23}, and therefore, more relevant to understanding the mechanical and chemical behavior of the trialuminides. Ordering or melting temperatures of these intermetallics reflect the strong Al-metal near-neighbor pair potentials and may provide insights to their brittle properties. 11 refs., 2 figs., 2 tabs.

  11. Method of bonding silver to glass and mirrors produced according to this method

    DOE Patents [OSTI]

    Pitts, J.R.; Thomas, T.M.; Czanderna, A.W.

    1984-07-31

    A method for adhering silver to a glass substrate for producing mirrors includes attaining a silicon enriched substrate surface by reducing the oxygen therein in a vacuum and then vacuum depositing a silver layer onto the silicon enriched surface. The silicon enrichment can be attained by electron beam bombardment, ion beam bombardment, or neutral beam bombardment. It can also be attained by depositing a metal, such as aluminum, on the substrate surface, allowing the metal to oxidize by pulling oxygen from the substrate surface, thereby leaving a silicon enriched surface, and then etching or eroding the metal oxide layer away to expose the silicon enriched surface. Ultraviolet rays can be used to maintain dangling silicon bonds on the enriched surface until covalent bonding with the silver can occur. This disclosure also includes encapsulated mirrors with diffusion layers built therein. One of these mirrors is assembled on a polymer substrate.

  12. Method of bonding silver to glass and mirrors produced according to this method

    DOE Patents [OSTI]

    Pitts, John R. (Golden, CO); Thomas, Terence M. (Arvada, CO); Czanderna, Alvin W. (Lakewood, CO)

    1985-01-01

    A method for adhering silver to a glass substrate for producing mirrors includes attaining a silicon enriched substrate surface by reducing the oxygen therein in a vacuum and then vacuum depositing a silver layer onto the silicon enriched surface. The silicon enrichment can be attained by electron beam bombardment, ion beam bombardment, or neutral beam bombardment. It can also be attained by depositing a metal, such as aluminum, on the substrate surface, allowing the metal to oxidize by pulling oxygen from the substrate surface, thereby leaving a silicon enriched surface, and then etching or eroding the metal oxide layer away to expose the silicon enriched surface. Ultraviolet rays can be used to maintain dangling silicon bonds on the enriched surface until covalent bonding with the silver can occur. This disclosure also includes encapsulated mirrors with diffusion layers built therein. One of these mirrors is assembled on a polymer substrate.

  13. Cold bond agglomeration of waste oxides for recycling

    SciTech Connect (OSTI)

    D`Alessio, G.; Lu, W.K. [McMaster Univ., Hamilton, Ontario (Canada). Dept. of Materials Science and Engineering

    1996-12-31

    Recycling of waste oxides has been an on-going challenge for integrated steel plants. The majority of these waste oxides are collected from the cleaning systems of ironmaking and steelmaking processes, and are usually in the form of fine particulates and slurries. In most cases, these waste materials are contaminated by oils and heavy metals and often require treatment at a considerable expense prior to landfill disposal. This contamination also limits the re-use or recycling potential of these oxides as secondary resources of reliable quality. However, recycling of some selected wastes in blast furnaces or steelmaking vessels is possible, but first requires agglomeration of the fine particulate by such methods as cold bond briquetting. Cold bond briquetting technology provides both mechanical compacting and bonding (with appropriate binders) of the particulates. This method of recycling has the potential to be economically viable and environmentally sustainable. The nature of the present study is cold bond briquetting of iron ore pellet fines with a molasses-cement-H{sub 2}O binder for recycling in a blast furnace. The inclusion of molasses is for its contribution to the green strength of briquettes. During the curing stage, significant gains in strength may be credited to molasses in the presence of cement. The interactions of cement (and its substitutes), water and molasses and their effects on the properties of the agglomerates during and after various curing conditions were investigated. Tensile strengths of briquettes made in the laboratory and subjected to experimental conditions which simulated the top part of a blast furnace shaft were also examined.

  14. Hydrogen Adsorption Induces Interlayer Carbon Bond Formation...

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

    Hydrogen Adsorption Induces Interlayer Carbon Bond Formation in Supported Few-Layer Graphene Friday, February 28, 2014 Among the allotropes of carbon, diamond has some of the most...

  15. Nuclear reactor multiphysics via bond graph formalism

    E-Print Network [OSTI]

    Sosnovsky, Eugeny

    2014-01-01

    This work proposes a simple and effective approach to modeling nuclear reactor multiphysics problems using bond graphs. Conventional multiphysics simulation paradigms normally use operator splitting, which treats the ...

  16. Bond Strength Measurements from an Australian Standard Bond Wrench in Comparison to the Unbalanced ASTM C 1072 Bond Wrench to the Balanced and Unbalanced Wrenches 

    E-Print Network [OSTI]

    Suresh, Sri Vishnu Chaitanya Guptha

    2014-08-14

    in 1980s in the Australian laboratories. Former TAMU students had built a lightweight Indian unbalanced and balanced bond wrench. An Australian bond wrench was manufactured in 2011 and subsequently in 2012 an ASTM C 1072 Bond Wrench was developed...

  17. Valence Bond States: Link models

    E-Print Network [OSTI]

    E. Rico; R. Hübener; S. Montangero; N. Moran; B. Pirvu; J. Vala; H. J. Briegel

    2009-08-07

    An isotropic anti-ferromagnetic quantum state on a square lattice is characterized by symmetry arguments only. By construction, this quantum state is the result of an underlying valence bond structure without breaking any symmetry in the lattice or spin spaces. A detailed analysis of the correlations of the quantum state is given (using a mapping to a 2D classical statistical model and methods in field theory like mapping to the non-linear sigma model or bosonization techniques) as well as the results of numerical treatments (regarding exact diagonalization and variational methods). Finally, the physical relevance of the model is motivated. A comparison of the model to known anti-ferromagnetic Mott-Hubbard insulators is given by means of the two-point equal-time correlation function obtained i) numerically from the suggested state and ii) experimentally from neutron scattering on cuprates in the anti-ferromagnetic insulator phase.

  18. Performance and Reliability of Bonded Interfaces for High-Temperature Packaging (Presentation)

    SciTech Connect (OSTI)

    Devoto, D.

    2014-11-01

    The thermal performance and reliability of sintered-silver is being evaluated for power electronics packaging applications. This will be experimentally accomplished by the synthesis of large-area bonded interfaces between metalized substrates that will be subsequently subjected to thermal cycles. A finite element model of crack initiation and propagation in these bonded interfaces will allow for the interpretation of degradation rates by a crack-velocity (V)-stress intensity factor (K) analysis. The experiment is outlined, and the modeling approach is discussed.

  19. Intramolecular electronic communication between dimetal units with multiple metal??al bonds 

    E-Print Network [OSTI]

    Li, Zhong

    2009-05-15

    . For example, [Mo 2 (cis?DAniF) 2 ] 2 (??Cl 4 ) has a large ?E 1/2 value of 540 mV, which corresponds to a comproportionation constant of 1.3 ? 10 9 . Because of the large comproportionation constant, oxidation of the neutral precursor gives a mixed...V/s, and 0.10 M Bu 4 NPF 6 (in CH 2 Cl 2 ) as electrolyte. The EPR spectrum was recorded on a Bruker ESP300 spectrometer and Magnetic susceptibility measurements were performed on a Quantum Design SQUID MPMS?XL magnetometer. Preparation of [Mo 2 (DAniF) 3...

  20. Synthesis, Characterization and Investigation of Metal-Metal Bonded Dirhodium Complexes 

    E-Print Network [OSTI]

    Li, Zhanyong

    2014-06-20

    This dissertation focuses on the design and tailoring of dirhodium complexes and the investigation of their structural, spectroscopic and theoretical properties. The variation of the ligands occupying the equatorial (eq) ...

  1. Structures and Reactivity of Transition-Metal Compounds Featuring Metal-Ligand Multiple Bonds 

    E-Print Network [OSTI]

    Xu, Zhenggang

    2014-07-25

    This dissertation presents the results from density functional theory (DFT) calculations on three major projects I have been working on over the past several years. The first system is focused on the structure and reactivity ...

  2. Guanidinates: a new class of ligands for dimetal units with multiple metal-metal bonds 

    E-Print Network [OSTI]

    Wilkinson, Chad C.

    2009-05-15

    This dissertation concerns the discovery of the ability of the guanidinate ligand hpp (hpp = anion of 1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine) to stabilize high oxidation states of dimetal units (particularly ...

  3. Synthesis, Characterization, and Toxicity Studies of Dirhodium and Diiridium Metal-Metal Bonded Compounds 

    E-Print Network [OSTI]

    Lane, Sarah Margaret

    2012-10-19

    the biological properties of dirhodium partial paddlewheel compounds. Previous work in our group has focused on dirhodium carboxylate derivatives with a series of diimine ligands, namely 1,10-phenanthroline (phen), dipyrido[3,2-f:2',3'-h]quinoxaline (dpq...

  4. Non-Destructive Inspection of Adhesive Bonds in Metal-Metal Joints |

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious RankADVANCED MANUFACTURINGEnergy Bills and Reduce Carbon PollutionZealandNexusNo.No

  5. Earth-Abundant Transition Metal Chemistry: Electrocatalytic Hydrogen Production and the Synthesis of High-spin Iron(IV)-oxo Complexes

    E-Print Network [OSTI]

    Bigi, Julian

    2012-01-01

    or to ca 130 K on the Smart 1000 using a home-built device).or to ca 130 K on the Smart 1000 using a home-built device).or to ca 130 K on the Smart 1000 using a home-built device).

  6. Experimental Observation of Bonding Electrons in Proteins*

    E-Print Network [OSTI]

    Experimental Observation of Bonding Electrons in Proteins* (Received for publication, April 15 enables bonding details of electron distributions in proteins to be revealed experimentally for the first time. We move one step closer to imaging directly the fine details of the electronic structure on which

  7. Identification of products containing {single_bond}COOH, {single_bond}OH, and {single_bond}C{double_bond}O in atmospheric oxidation of hydrocarbons

    SciTech Connect (OSTI)

    Yu, J.; Flagan, R.C.; Seinfeld, J.H.

    1998-08-15

    Atmospheric oxidation of hydrocarbons by hydroxyl radicals and ozone leads to products containing {single_bond}COOH, {single_bond}OH, and {single_bond}C{double_bond}O functional groups. The high polarity of such compounds precludes direct GC-MS analysis. In addition, many such compounds often exist in a single sample at trace levels. An analytical method has been developed to identify compounds containing one or more functional groups of carbonyl, carboxy, and hydroxy in atmospheric samples. In the method, {single_bond}C{double_bond}O groups are derivatized using O-(2,3,4,5,6-pentafluorobenzyl) hydroxy amine(PFBHA), and {single_bond}COOH and {single_bond}OH groups are derivatized using a silylation reagent N,O-bis(trimethylsilyl)-trifluoroacetamide (BSTFA). The derivatives are easily resolved by a GC column. The chemical ionization mass spectra of these derivatives exhibit several pseudomolecular ions, allowing unambiguous determination of molecular weights. Functional group identification is accomplished by monitoring the ions in the electron ionization mass spectra that are characteristic of each functional group derivative: m/z 181 for carbonyl and m/z 73 and 75 for carboxyl and hydroxy groups. The method is used to identify products in laboratory studies of ozone oxidation of {alpha}-pinene and {Delta}{sup 3}-carene.

  8. 1 mil gold bond wire study.

    SciTech Connect (OSTI)

    Huff, Johnathon; McLean, Michael B.; Jenkins, Mark W.; Rutherford, Brian Milne

    2013-05-01

    In microcircuit fabrication, the diameter and length of a bond wire have been shown to both affect the current versus fusing time ratio of a bond wire as well as the gap length of the fused wire. This study investigated the impact of current level on the time-to-open and gap length of 1 mil by 60 mil gold bond wires. During the experiments, constant current was provided for a control set of bond wires for 250ms, 410ms and until the wire fused; non-destructively pull-tested wires for 250ms; and notched wires. The key findings were that as the current increases, the gap length increases and 73% of the bond wires will fuse at 1.8A, and 100% of the wires fuse at 1.9A within 60ms. Due to the limited scope of experiments and limited data analyzed, further investigation is encouraged to confirm these observations.

  9. Bio-Oxo Technology

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

    by equivalent of 50 million barrels of liquid petroleum gas per year. Reduce natural gas consumption by 13 billion cubic feet per year. Additional revenue stream for...

  10. Bio-Oxo Technology

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustmentsShirleyEnergyTher i n c i p a l De p uBUSEnergy|| Department- Director ofEasel Biotechnologies

  11. Low Barrier Hydrogen Bonds in Acyclic Tertiary Diamines

    E-Print Network [OSTI]

    Khodagholian, Sevana

    2010-01-01

    9. S. Yaghmaei, In Search of a Low Barrier Hydrogen Bond inP.A. Frey, and J.A. Gerlt, “The Low Barrier Hydrogen Bond inConsiderations Show That Low-Barrier Hydrogen Bonds do not

  12. A Surprising Path for Proton Transfer Without Hydrogen Bonds

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

    A Surprising Path for Proton Transfer Without Hydrogen Bonds Print Hydrogen bonds are found everywhere in chemistry and biology and are critical in DNA and RNA. A hydrogen bond...

  13. A Surprising Path for Proton Transfer Without Hydrogen Bonds

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

    A Surprising Path for Proton Transfer Without Hydrogen Bonds A Surprising Path for Proton Transfer Without Hydrogen Bonds Print Wednesday, 25 July 2012 00:00 Hydrogen bonds are...

  14. An investigation on microstructure evolution and mechanical properties during liquid state diffusion bonding of Al2024 to Ti–6Al–4V

    SciTech Connect (OSTI)

    Samavatian, Majid; Halvaee, Ayoub; Amadeh, Ahmad Ali; Khodabandeh, Alireza

    2014-12-15

    Joining mechanism of Ti/Al dissimilar alloys was studied during liquid state diffusion bonding process using Cu/Sn/Cu interlayer at 510 °C under vacuum of 7.5 × 10{sup ?5} Torr for various bonding times. The microstructure and compositional changes in the joint zone were analyzed by scanning electron microscopy equipped with energy dispersive spectroscopy and X-ray diffraction. Microhardness and shear strength tests were also applied to study the mechanical properties of the joints. It was found that with an increase in bonding time, the elements of interlayer diffused into the parent metals and formed various intermetallic compounds at the interface. Diffusion process led to the isothermal solidification and the bonding evolution in the joint zone. The results from mechanical tests showed that microhardness and shear strength values have a straight relation with bonding time so that the maximum shear strength of joint was obtained for a bond made with 60 min bonding time. - Highlights: • Liquid state diffusion bonding of Al2024 to Ti–6Al–4V was performed successfully. • Diffusion of the elements caused the formation of various intermetallics at the interface. • Microhardness and shear strength values have a straight relation with bonding time. • The maximum shear strength reached to 36 MPa in 60 min bonding time.

  15. Bond Coating Performance of Thermal Barrier Coatings for Industrial Gas Turbines

    SciTech Connect (OSTI)

    Wright, Ian G; Pint, Bruce A

    2005-01-01

    Thermal barrier coatings are intended to work in conjunction with internal cooling schemes to reduce the metal temperature of critical hot gas path components in gas turbine engines. The thermal resistance is typically provided by a 100--250 {mu}m thick layer of ceramic (most usually zirconia stabilized with an addition of 7--8 wt% of yttria), and this is deposited on to an approximately 50 {mu} thick, metallic bond coating that is intended to anchor the ceramic to the metallic surface, to provide some degree of mechanical compliance, and to act as a reservoir of protective scale-forming elements (Al) to protect the underlying superalloy from high-temperature corrosion. A feature of importance to the durability of thermal barrier coatings is the early establishment of a continuous, protective oxide layer (preferably {alpha}-alumina) at the bond coating-ceramic interface. Because zirconia is permeable to oxygen, this oxide layer continues to grow during service. Some superalloys are inherently resistant to high-temperature oxidation, so a separate bond coating may not be needed in those cases. Thermal barrier coatings have been in service in aeroengines for a number of years, and the use of this technology for increasing the durability and/or efficiency of industrial gas turbines is currently of significant interest. The data presented were taken from an investigation of routes to optimize bond coating performance, and the focus of the paper is on the influences of reactive elements and Pt on the oxidation behaviour of NiAl-based alloys determined in studies using cast versions of bond coating compositions.

  16. Atomically Bonded Transparent Superhydrophobic Coatings

    SciTech Connect (OSTI)

    Aytug, Tolga

    2015-08-01

    Maintaining clarity and avoiding the accumulation of water and dirt on optically transparent surfaces such as US military vehicle windshields, viewports, periscope optical head windows, and electronic equipment cover glasses are critical to providing a high level of visibility, improved survivability, and much-needed safety for warfighters in the field. Through a combination of physical vapor deposition techniques and the exploitation of metastable phase separation in low-alkali borosilicate, a novel technology was developed for the fabrication of optically transparent, porous nanostructured silica thin film coatings that are strongly bonded to glass platforms. The nanotextured films, initially structurally superhydrophilic, exhibit superior superhydrophobicity, hence antisoiling ability, following a simple but robust modification in surface chemistry. The surfaces yield water droplet contact angles as high as 172°. Moreover, the nanostructured nature of these coatings provides increased light scattering in the UV regime and reduced reflectivity (i.e., enhanced transmission) over a broad range of the visible spectrum. In addition to these functionalities, the coatings exhibit superior mechanical resistance to abrasion and are thermally stable to temperatures approaching 500°C. The overall process technology relies on industry standard equipment and inherently scalable manufacturing processes and demands only nontoxic, naturally abundant, and inexpensive base materials. Such coatings, applied to the optical components of current and future combat equipment and military vehicles will provide a significant strategic advantage for warfighters. The inherent self-cleaning properties of such superhydrophobic coatings will also mitigate biofouling of optical windows exposed to high-humidity conditions and can help decrease repair/replacement costs, reduce maintenance, and increase readiness by limiting equipment downtime.

  17. New Bond Helps Toledo, Ohio, Expand Financing Pool | Department...

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

    New Bond Helps Toledo, Ohio, Expand Financing Pool New Bond Helps Toledo, Ohio, Expand Financing Pool The logo for Better Buildings Northwest Ohio, Toleco Lucas County Port...

  18. Surface Modification by Atmospheric Pressure Plasma for Improved Bonding

    E-Print Network [OSTI]

    Williams, Thomas Scott

    2013-01-01

    of hydrogen- bonded hydroxyl groups. Acknowledgements Thisonto the exposed surface hydroxyl groups. The rate offraction of hydrogen-bonded hydroxyl groups increased from

  19. Qualified Energy Conservation Bonds (QECBs) & New Clean Renewable...

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

    conservation bond and new clean renewable energy bonds, including characteristics, mechanics, allocated volume, and other information. Author: U.S. Department of Energy...

  20. Using Qualified Energy Conservation Bonds for Public Building...

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

    Bonds for Public Building Upgrades: Reducing Energy Bills in the City of Philadelphia Using Qualified Energy Conservation Bonds for Public Building Upgrades: Reducing...

  1. Method of making bonded or sintered permanent magnets

    DOE Patents [OSTI]

    McCallum, R.W.; Dennis, K.W.; Lograsso, B.K.; Anderson, I.E.

    1995-11-28

    An isotropic permanent magnet is made by mixing a thermally responsive, low viscosity binder and atomized rare earth-transition metal (e.g., iron) alloy powder having a carbon-bearing (e.g., graphite) layer thereon that facilitates wetting and bonding of the powder particles by the binder. Prior to mixing with the binder, the atomized alloy powder may be sized or classified to provide a particular particle size fraction having a grain size within a given relatively narrow range. A selected particle size fraction is mixed with the binder and the mixture is molded to a desired complex magnet shape. A molded isotropic permanent magnet is thereby formed. A sintered isotropic permanent magnet can be formed by removing the binder from the molded mixture and thereafter sintering to full density. 14 figs.

  2. Method of making bonded or sintered permanent magnets

    DOE Patents [OSTI]

    McCallum, R.W.; Dennis, K.W.; Lograsso, B.K.; Anderson, I.E.

    1993-08-31

    An isotropic permanent magnet is made by mixing a thermally responsive, low viscosity binder and atomized rare earth-transition metal (e.g., iron) alloy powder having a carbon-bearing (e.g., graphite) layer thereon that facilitates wetting and bonding of the powder particles by the binder. Prior to mixing with the binder, the atomized alloy powder may be sized or classified to provide a particular particle size fraction having a grain size within a given relatively narrow range. A selected particle size fraction is mixed with the binder and the mixture is molded to a desired complex magnet shape. A molded isotropic permanent magnet is thereby formed. A sintered isotropic permanent magnet can be formed by removing the binder from the molded mixture and thereafter sintering to full density.

  3. Upgrading of petroleum oil feedstocks using alkali metals and hydrocarbons

    SciTech Connect (OSTI)

    Gordon, John Howard

    2014-09-09

    A method of upgrading an oil feedstock by removing heteroatoms and/or one or more heavy metals from the oil feedstock composition. This method reacts the oil feedstock with an alkali metal and an upgradant hydrocarbon. The alkali metal reacts with a portion of the heteroatoms and/or one or more heavy metals to form an inorganic phase separable from the organic oil feedstock material. The upgradant hydrocarbon bonds to the oil feedstock material and increases the number of carbon atoms in the product. This increase in the number of carbon atoms of the product increases the energy value of the resulting oil feedstock.

  4. REITs: Stocks, Bonds, or Real Estate?

    E-Print Network [OSTI]

    Rosen, Kenneth T.

    1995-01-01

    Berkeley FISHER CENTER FOR REAL ESTATE AND URBAN ECONOMICS244 RElTs: Stocks, Bonds or Real Estate? By KENNETH T. ROSENBUSINESS FISHER CENTER FOR REAL ESTATE AND URBAN ECONOMICS

  5. Mechanics aspects of water thermocompression bonding

    E-Print Network [OSTI]

    Stamoulis, Konstantinos, 1970-

    2005-01-01

    Wafer-level, thermocompression bonding is a promising technique for microelectromechanical systems (MEMS) packaging. The process is a form of solid-state joining and requires the simultaneous application of temperature and ...

  6. Corporate bond repurchases and earnings management

    E-Print Network [OSTI]

    Lemayian, Zawadi Rehema

    2013-01-01

    This paper investigates whether earnings management incentives are associated with gains/losses recognized when firms repurchase bonds. The research question is motivated by the inclusion of these gains/losses in firms' ...

  7. Bridged transition-metal complexes and uses thereof for hydrogen separation, storage and hydrogenation

    DOE Patents [OSTI]

    Lilga, M.A.; Hallen, R.T.

    1990-08-28

    The present invention constitutes a class of organometallic complexes which reversibly react with hydrogen to form dihydrides and processes by which these compounds can be utilized. The class includes bimetallic complexes in which two cyclopentadienyl rings are bridged together and also separately [pi]-bonded to two transition metal atoms. The transition metals are believed to bond with the hydrogen in forming the dihydride. Transition metals such as Fe, Mn or Co may be employed in the complexes although Cr constitutes the preferred metal. A multiple number of ancillary ligands such as CO are bonded to the metal atoms in the complexes. Alkyl groups and the like may be substituted on the cyclopentadienyl rings. These organometallic compounds may be used in absorption/desorption systems and in facilitated transport membrane systems for storing and separating out H[sub 2] from mixed gas streams such as the producer gas from coal gasification processes. 3 figs.

  8. Bridged transition-metal complexes and uses thereof for hydrogen separation, storage and hydrogenation

    DOE Patents [OSTI]

    Lilga, Michael A. (Richland, WA); Hallen, Richard T. (Richland, WA)

    1990-01-01

    The present invention constitutes a class of organometallic complexes which reversibly react with hydrogen to form dihydrides and processes by which these compounds can be utilized. The class includes bimetallic complexes in which two cyclopentadienyl rings are bridged together and also separately .pi.-bonded to two transition metal atoms. The transition metals are believed to bond with the hydrogen in forming the dihydride. Transition metals such as Fe, Mn or Co may be employed in the complexes although Cr constitutes the preferred metal. A multiple number of ancilliary ligands such as CO are bonded to the metal atoms in the complexes. Alkyl groups and the like may be substituted on the cyclopentadienyl rings. These organometallic compounds may be used in absorption/desorption systems and in facilitated transport membrane systems for storing and separating out H.sub.2 from mixed gas streams such as the produce gas from coal gasification processes.

  9. Bridged transition-metal complexes and uses thereof for hydrogen separation, storage and hydrogenation

    DOE Patents [OSTI]

    Lilga, M.A.; Hallen, R.T.

    1991-10-15

    The present invention constitutes a class of organometallic complexes which reversibly react with hydrogen to form dihydrides and processes by which these compounds can be utilized. The class includes bimetallic complexes in which two cyclopentadienyl rings are bridged together and also separately [pi]-bonded to two transition metal atoms. The transition metals are believed to bond with the hydrogen in forming the dihydride. Transition metals such as Fe, Mn or Co may be employed in the complexes although Cr constitutes the preferred metal. A multiple number of ancillary ligands such as CO are bonded to the metal atoms in the complexes. Alkyl groups and the like may be substituted on the cyclopentadienyl rings. These organometallic compounds may be used in absorption/desorption systems and in facilitated transport membrane systems for storing and separating out H[sub 2] from mixed gas streams such as the product gas from coal gasification processes. 3 figures.

  10. Bridged transition-metal complexes and uses thereof for hydrogen separation, storage and hydrogenation

    DOE Patents [OSTI]

    Lilga, Michael A. (Richland, WA); Hallen, Richard T. (Richland, WA)

    1991-01-01

    The present invention constitutes a class of organometallic complexes which reversibly react with hydrogen to form dihydrides and processes by which these compounds can be utilized. The class includes bimetallic complexes in which two cyclopentadienyl rings are bridged together and also separately .pi.-bonded to two transition metal atoms. The transition metals are believed to bond with the hydrogen in forming the dihydride. Transition metals such as Fe, Mn or Co may be employed in the complexes although Cr constitutes the preferred metal. A multiple number of ancilliary ligands such as CO are bonded to the metal atoms in the complexes. Alkyl groups and the like may be substituted on the cyclopentadienyl rings. These organometallic compounds may be used in absorption/desorption systems and in facilitated transport membrane systems for storing and separating out H.sub.2 from mixed gas streams such as the product gas from coal gasification processes.

  11. Anion separation with metal-organic frameworks

    SciTech Connect (OSTI)

    Custelcean, Radu; Moyer, Bruce A

    2007-01-01

    The application of metal-organic frameworks (MOFs) to anion separations with a special emphasis on anion selectivity is reviewed. The coordination frameworks are classified on the basis of the main interactions to the included anion, from weak and non-specific van der Waals forces to more specific interactions such as coordination to Lewis acid metal centers or hydrogen bonding. The importance of anion solvation phenomena to the observed anion selectivities is highlighted, and strategies for reversing the Hofmeister bias that favors large, less hydrophilic anions, and for obtaining peak selectivities based on shape recognition are delineated. Functionalization of the anion-binding sites in MOFs with strong and directional hydrogen-bonding groups that are complementary to the included anion, combined with organizational rigidity of the coordination framework, appears to be the most promising approach for achieving non-Hofmeister selectivity.

  12. Qualified Energy Conservation Bond State-by-State Summary Tables

    Broader source: Energy.gov [DOE]

    Provides a list of qualified energy conservation bond state summary tables. Author: Energy Programs Consortium

  13. Hydrogen Bonding DOI: 10.1002/anie.200501349

    E-Print Network [OSTI]

    Simons, Jack

    Hydrogen Bonding DOI: 10.1002/anie.200501349 Observation of Weak C�H···O Hydrogen Bonding to Unactivated Alkanes** Xue-Bin Wang, Hin-Koon Woo, Boggavarapu Kiran, and Lai-Sheng Wang* The hydrogen bond carbon can also behave as a proton donor to form C�H···O-type hydrogen bonds has been the subject

  14. Steel-SiC Metal Matrix Composite Development

    SciTech Connect (OSTI)

    Smith, Don D.

    2005-07-17

    The goal of this project is to develop a method for fabricating SiC-reinforced high-strength steel. We are developing a metal-matrix composite (MMC) in which SiC fibers are be embedded within a metal matrix of steel, with adequate interfacial bonding to deliver the full benefit of the tensile strength of the SiC fibers in the composite.

  15. Composite metal membrane

    DOE Patents [OSTI]

    Peachey, Nathaniel M. (Espanola, NM); Dye, Robert C. (Los Alamos, NM); Snow, Ronny C. (Los Alamos, NM); Birdsell, Stephan A. (Los Alamos, NM)

    1998-01-01

    A composite metal membrane including a first metal layer of Group IVB met or Group VB metals, the first metal layer sandwiched between two layers of an oriented metal of palladium, platinum or alloys thereof is provided together with a process for the recovery of hydrogen from a gaseous mixture including contacting a hydrogen-containing gaseous mixture with a first side of a nonporous composite metal membrane including a first metal of Group IVB metals or Group VB metals, the first metal layer sandwiched between two layers of an oriented metal of palladium, platinum or alloys thereof, and, separating hydrogen from a second side of the nonporous composite metal membrane.

  16. Composite metal membrane

    DOE Patents [OSTI]

    Peachey, N.M.; Dye, R.C.; Snow, R.C.; Birdsell, S.A.

    1998-04-14

    A composite metal membrane including a first metal layer of Group IVB met or Group VB metals, the first metal layer sandwiched between two layers of an oriented metal of palladium, platinum or alloys thereof is provided together with a process for the recovery of hydrogen from a gaseous mixture including contacting a hydrogen-containing gaseous mixture with a first side of a nonporous composite metal membrane including a first metal of Group IVB metals or Group VB metals, the first metal layer sandwiched between two layers of an oriented metal of palladium, platinum or alloys thereof, and, separating hydrogen from a second side of the nonporous composite metal membrane.

  17. Managing Value-at-Risk for a bond using bond put options

    E-Print Network [OSTI]

    Vanmaele, Michčle

    Managing Value-at-Risk for a bond using bond put options Griselda Deelstra1 , Ahmed Ezzine1 , Dries. Furthermore, at a suffi- ciently low confidence level the VaR measure explicitly focuses risk managersR-based risk management. The starting point of our analysis is the classical hedging example, where

  18. Hydrogen Bond Networks: Structure and Evolution after Hydrogen Bond Breaking John B. Asbury, Tobias Steinel, and M. D. Fayer*

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen Bond Networks: Structure and Evolution after Hydrogen Bond Breaking John B. Asbury, TobiasVed: September 1, 2003; In Final Form: December 18, 2003 The nature of hydrogen bonding networks following hydrogen bond breaking is investigated using vibrational echo correlation spectroscopy of the hydroxyl

  19. Engineering mechanical dissipation in solid poly(ethylene glycol) hydrogels with bio-inspired metal-coordinate crosslinks

    E-Print Network [OSTI]

    Learsch, Robert (Robert Whitson)

    2015-01-01

    Growing evidence supports that the unique mechanical behavior of mussel byssal threads, such as high toughness and self-healing, rely on an intricate balance of permanent covalent and reversible metal coordination bonds. ...

  20. Epoxy bond and stop etch fabrication method

    DOE Patents [OSTI]

    Simmons, Jerry A. (Sandia Park, NM); Weckwerth, Mark V. (Pleasanton, CA); Baca, Wes E. (Albuquerque, NM)

    2000-01-01

    A class of epoxy bond and stop etch (EBASE) microelectronic fabrication techniques is disclosed. The essence of such techniques is to grow circuit components on top of a stop etch layer grown on a first substrate. The first substrate and a host substrate are then bonded together so that the circuit components are attached to the host substrate by the bonding agent. The first substrate is then removed, e.g., by a chemical or physical etching process to which the stop etch layer is resistant. EBASE fabrication methods allow access to regions of a device structure which are usually blocked by the presence of a substrate, and are of particular utility in the fabrication of ultrafast electronic and optoelectronic devices and circuits.

  1. Phosphate-bonded calcium aluminate cements

    DOE Patents [OSTI]

    Sugama, Toshifumi (Mastic Beach, NY)

    1993-01-01

    A method is described for making a rapid-setting phosphate-bonded cementitious material. A powdered aluminous cement is mixed with an aqueous solution of ammonium phosphate. The mixture is allowed to set to form an amorphous cementitious material which also may be hydrothermally treated at a temperature of from about 120.degree. C. to about 300.degree. C. to form a crystal-containing phosphate-bonded material. Also described are the cementitious products of this method and the cement composition which includes aluminous cement and ammonium polyphosphate.

  2. Phosphate-bonded calcium aluminate cements

    DOE Patents [OSTI]

    Sugama, T.

    1993-09-21

    A method is described for making a rapid-setting phosphate-bonded cementitious material. A powdered aluminous cement is mixed with an aqueous solution of ammonium phosphate. The mixture is allowed to set to form an amorphous cementitious material which also may be hydrothermally treated at a temperature of from about 120 C to about 300 C to form a crystal-containing phosphate-bonded material. Also described are the cementitious products of this method and the cement composition which includes aluminous cement and ammonium polyphosphate. 10 figures.

  3. Adhesive bonding using variable frequency microwave energy

    DOE Patents [OSTI]

    Lauf, R.J.; McMillan, A.D.; Paulauskas, F.L.; Fathi, Z.; Wei, J.

    1998-08-25

    Methods of facilitating the adhesive bonding of various components with variable frequency microwave energy are disclosed. The time required to cure a polymeric adhesive is decreased by placing components to be bonded via the adhesive in a microwave heating apparatus having a multimode cavity and irradiated with microwaves of varying frequencies. Methods of uniformly heating various articles having conductive fibers disposed therein are provided. Microwave energy may be selectively oriented to enter an edge portion of an article having conductive fibers therein. An edge portion of an article having conductive fibers therein may be selectively shielded from microwave energy. 26 figs.

  4. Adhesive bonding using variable frequency microwave energy

    DOE Patents [OSTI]

    Lauf, R.J.; McMillan, A.D.; Paulauskas, F.L.; Fathi, Z.; Wei, J.

    1998-09-08

    Methods of facilitating the adhesive bonding of various components with variable frequency microwave energy are disclosed. The time required to cure a polymeric adhesive is decreased by placing components to be bonded via the adhesive in a microwave heating apparatus having a multimode cavity and irradiated with microwaves of varying frequencies. Methods of uniformly heating various articles having conductive fibers disposed therein are provided. Microwave energy may be selectively oriented to enter an edge portion of an article having conductive fibers therein. An edge portion of an article having conductive fibers therein may be selectively shielded from microwave energy. 26 figs.

  5. Adhesive bonding using variable frequency microwave energy

    DOE Patents [OSTI]

    Lauf, Robert J. (Oak Ridge, TN); McMillan, April D. (Knoxville, TN); Paulauskas, Felix L. (Oak Ridge, TN); Fathi, Zakaryae (Cary, NC); Wei, Jianghua (Raleigh, NC)

    1998-01-01

    Methods of facilitating the adhesive bonding of various components with variable frequency microwave energy are disclosed. The time required to cure a polymeric adhesive is decreased by placing components to be bonded via the adhesive in a microwave heating apparatus having a multimode cavity and irradiated with microwaves of varying frequencies. Methods of uniformly heating various articles having conductive fibers disposed therein are provided. Microwave energy may be selectively oriented to enter an edge portion of an article having conductive fibers therein. An edge portion of an article having conductive fibers therein may be selectively shielded from microwave energy.

  6. Method for producing chemically bonded phosphate ceramics and for stabilizing contaminants encapsulated therein utilizing reducing agents

    DOE Patents [OSTI]

    Singh, Dileep (Naperville, IL); Wagh, Arun S. (Orland Park, IL); Jeong, Seung-Young (Westmont, IL)

    2000-01-01

    Known phosphate ceramic formulations are improved and the ability to produce iron-based phosphate ceramic systems is enabled by the addition of an oxidizing or reducing step during the acid-base reactions that form the phosphate ceramic products. The additives allow control of the rate of the acid-base reactions and concomitant heat generation. In an alternate embodiment, waste containing metal anions are stabilized in phosphate ceramic products by the addition of a reducing agent to the phosphate ceramic mixture. The reduced metal ions are more stable and/or reactive with the phosphate ions, resulting in the formation of insoluble metal species within the phosphate ceramic matrix, such that the resulting chemically bonded phosphate ceramic product has greater leach resistance.

  7. Thermodynamic aspects of dehydrogenation reactions on noble metal surfaces

    SciTech Connect (OSTI)

    Svane, K. L. Hammer, B.

    2014-11-07

    The reaction free energy for dehydrogenation of phenol, aniline, thiophenol, benzoic acid, and 1,4-benzenediol on the close packed copper, silver, and gold surfaces has been studied by density functional theory calculations. Dehydrogenation of thiophenol is found to be favourable on all three surfaces while aniline does not dehydrogenate on any of them. For phenol, benzenediol and benzoic acid dehydrogenation is favourable on copper and silver only, following the general trend of an increasing reaction free energy when going form gold to silver to copper. This trend can be correlated with the changes in bond lengths within the molecule upon dehydrogenation. While copper is able to replace hydrogen, leaving small changes in the bond lengths of the aromatic ring, the metal-molecule bond is weaker for silver and gold, resulting in a partial loss of aromaticity. This difference in bond strength leads to pronounced differences in adsorption geometries upon multiple dehydrogenations.

  8. Metal Hydrides

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious RankADVANCED MANUFACTURING OFFICESpecial ReportProposal to changeNovemberEnergyMessage fromMetal

  9. Fluorinated diamond bonded in fluorocarbon resin

    DOE Patents [OSTI]

    Taylor, Gene W. (Los Alamos, NM)

    1982-01-01

    By fluorinating diamond grit, the grit may be readily bonded into a fluorocarbon resin matrix. The matrix is formed by simple hot pressing techniques. Diamond grinding wheels may advantageously be manufactured using such a matrix. Teflon fluorocarbon resins are particularly well suited for using in forming the matrix.

  10. Process for the fabrication of aluminum metallized pyrolytic graphite sputtering targets

    DOE Patents [OSTI]

    Makowiecki, Daniel M. (Livermore, CA); Ramsey, Philip B. (Livermore, CA); Juntz, Robert S. (Hayward, CA)

    1995-01-01

    An improved method for fabricating pyrolytic graphite sputtering targets with superior heat transfer ability, longer life, and maximum energy transmission. Anisotropic pyrolytic graphite is contoured and/or segmented to match the erosion profile of the sputter target and then oriented such that the graphite's high thermal conductivity planes are in maximum contact with a thermally conductive metal backing. The graphite contact surface is metallized, using high rate physical vapor deposition (HRPVD), with an aluminum coating and the thermally conductive metal backing is joined to the metallized graphite target by one of four low-temperature bonding methods; liquid-metal casting, powder metallurgy compaction, eutectic brazing, and laser welding.

  11. Various Carbon to Carbon Bond Lengths Inter-related via the Golden Ratio, and their Linear Dependence on Bond Energies

    E-Print Network [OSTI]

    Raji Heyrovska

    2008-09-11

    This work presents the relations between the carbon to carbon bond lengths in the single, double and triple bonds and in graphite, butadiene and benzene. The Golden ratio, which was shown to divide the Bohr radius into two parts pertaining to the charged particles, the electron and proton, and to divide inter-atomic distances into their cationic and anionic radii, also plays a role in the carbon-carbon bonds and in the ionic/polar character of those in graphite, butadiene and benzene. Further, the bond energies of the various CC bonds are shown to vary linearly with the bond lengths.

  12. Metal filled porous carbon

    DOE Patents [OSTI]

    Gross, Adam F. (Los Angeles, CA); Vajo, John J. (West Hills, CA); Cumberland, Robert W. (Malibu, CA); Liu, Ping (Irvine, CA); Salguero, Tina T. (Encino, CA)

    2011-03-22

    A porous carbon scaffold with a surface and pores, the porous carbon scaffold containing a primary metal and a secondary metal, where the primary metal is a metal that does not wet the surface of the pores of the carbon scaffold but wets the surface of the secondary metal, and the secondary metal is interspersed between the surface of the pores of the carbon scaffold and the primary metal.

  13. Time-Resolved Study of Bonding in Liquid Carbon

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

    Time-Resolved Study of Bonding in Liquid Carbon Time-Resolved Study of Bonding in Liquid Carbon Print Wednesday, 28 September 2005 00:00 We are accustomed to observing carbon in...

  14. FITCH RATES ENERGY NORTHWEST, WA'S ELECTRIC REV RFDG BONDS 'AA...

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

    FITCH RATES ENERGY NORTHWEST, WA'S ELECTRIC REV RFDG BONDS 'AA'; OUTLOOK STABLE Fitch Ratings-Austin-22 September 2015: Fitch Ratings assigns its 'AA' rating to the following bonds...

  15. A Corpuscular Picture of Electrons in Chemical Bond

    E-Print Network [OSTI]

    Ando, Koji

    2015-01-01

    We introduce a theory of chemical bond with a corpuscular picture of electrons. It employs a minimal set of localized electron wave packets with 'floating and breathing' degrees of freedom and the spin-coupling of non-orthogonal valence-bond theory. It accurately describes chemical bonds in ground and excited states of spin singlet and triplet, in a distinct manner from conventional theories, indicating potential for establishing a dynamical theory of electrons in chemical bonds.

  16. Extracting metals directly from metal oxides

    DOE Patents [OSTI]

    Wai, C.M.; Smart, N.G.; Phelps, C.

    1997-02-25

    A method of extracting metals directly from metal oxides by exposing the oxide to a supercritical fluid solvent containing a chelating agent is described. Preferably, the metal is an actinide or a lanthanide. More preferably, the metal is uranium, thorium or plutonium. The chelating agent forms chelates that are soluble in the supercritical fluid, thereby allowing direct removal of the metal from the metal oxide. In preferred embodiments, the extraction solvent is supercritical carbon dioxide and the chelating agent is selected from the group consisting of {beta}-diketones, halogenated {beta}-diketones, phosphinic acids, halogenated phosphinic acids, carboxylic acids, halogenated carboxylic acids, and mixtures thereof. In especially preferred embodiments, at least one of the chelating agents is fluorinated. The method provides an environmentally benign process for removing metals from metal oxides without using acids or biologically harmful solvents. The chelate and supercritical fluid can be regenerated, and the metal recovered, to provide an economic, efficient process. 4 figs.

  17. Extracting metals directly from metal oxides

    DOE Patents [OSTI]

    Wai, Chien M. (Moscow, ID); Smart, Neil G. (Moscow, ID); Phelps, Cindy (Moscow, ID)

    1997-01-01

    A method of extracting metals directly from metal oxides by exposing the oxide to a supercritical fluid solvent containing a chelating agent is described. Preferably, the metal is an actinide or a lanthanide. More preferably, the metal is uranium, thorium or plutonium. The chelating agent forms chelates that are soluble in the supercritical fluid, thereby allowing direct removal of the metal from the metal oxide. In preferred embodiments, the extraction solvent is supercritical carbon dioxide and the chelating agent is selected from the group consisting of .beta.-diketones, halogenated .beta.-diketones, phosphinic acids, halogenated phosphinic acids, carboxylic acids, halogenated carboxylic acids, and mixtures thereof. In especially preferred embodiments, at least one of the chelating agents is fluorinated. The method provides an environmentally benign process for removing metals from metal oxides without using acids or biologically harmful solvents. The chelate and supercritical fluid can be regenerated, and the metal recovered, to provide an economic, efficient process.

  18. COORDINATION CHEMISTRY OF METAL SURFACES AND METAL COMPLEXES

    E-Print Network [OSTI]

    Muetterties, E.L.

    2013-01-01

    4, 1980 Catalysis~ COORDINATION CHEMISTRY OF METAL SURFACESAND METAL COMPLEXES Earl L. Muetterties December 1979 TWO-10308 COORDINATION CHEt1ISTRY OF METAL SURFACES AND METAL

  19. Hydrogen Bonding Penalty upon Ligand Binding Hongtao Zhao, Danzhi Huang*

    E-Print Network [OSTI]

    Caflisch, Amedeo

    Hydrogen Bonding Penalty upon Ligand Binding Hongtao Zhao, Danzhi Huang* Department of Biochemistry, University of Zurich, Zurich, Switzerland Abstract Ligand binding involves breakage of hydrogen bonds with water molecules and formation of new hydrogen bonds between protein and ligand. In this work, the change

  20. Hydrogen Bond Networks in Graphene Oxide Composite Paper: Structure and

    E-Print Network [OSTI]

    Hydrogen Bond Networks in Graphene Oxide Composite Paper: Structure and Mechanical Properties of hydrogen bonds mediated by oxygen-containing functional groups and water molecules. A quantitative analysis of the formation of hydrogen bond networks further shows that they play a central role in *Address correspondence

  1. Hydrogen bonds in liquid water are broken only fleetingly

    E-Print Network [OSTI]

    Geissler, Phillip

    Hydrogen bonds in liquid water are broken only fleetingly J. D. Eaves* , J. J. Loparo* , C. J that the local structure of liquid water has tetrahedral arrangements of molecules ordered by hydrogen bonds, the mechanism by which water molecules switch hydrogen-bonded partners remains unclear. In this mechanism

  2. Hydrogen bonding in benzonitrilewater complexes Eugene S. Kryachkoa)

    E-Print Network [OSTI]

    Nguyen, Minh Tho

    Hydrogen bonding in benzonitrile­water complexes Eugene S. Kryachkoa) and Minh Tho Nguyenb January 2001; accepted 23 March 2001 The hydrogen bonding between benzonitrile and one and two water,p and aug-cc-pVDZ basis sets. The strength of such hydrogen bonding is analyzed in terms of a magnitude

  3. Analysis of C H...O hydrogen bonds

    E-Print Network [OSTI]

    Babu, M. Madan

    1 Analysis of C H...O hydrogen bonds in high resolution protein crystal structures from the PDB 1.4 Identification of C-H...O hydrogen bonds............................................. 1.4.1 The definition of a C-H...O hydrogen bond.................................... 1.4.2 Fixing the hydrogen and measuring the parameters

  4. Oil prices and government bond risk premiums Herv Alexandre*

    E-Print Network [OSTI]

    Boyer, Edmond

    Oil prices and government bond risk premiums By Hervé Alexandre*º Antonin de Benoist * Abstract : This article analyses the impact of oil price on bond risk premiums issued by emerging economies. No empirical study has yet focussed on the effects of the oil price on government bond risk premiums. We develop

  5. Article coated with flash bonded superhydrophobic particles

    DOE Patents [OSTI]

    Simpson, John T (Clinton, TN) [Clinton, TN; Blue, Craig A (Knoxville, TN) [Knoxville, TN; Kiggans, Jr., James O [Oak Ridge, TN

    2010-07-13

    A method of making article having a superhydrophobic surface includes: providing a solid body defining at least one surface; applying to the surface a plurality of diatomaceous earth particles and/or particles characterized by particle sizes ranging from at least 100 nm to about 10 .mu.m, the particles being further characterized by a plurality of nanopores, wherein at least some of the nanopores provide flow through porosity, the particles being further characterized by a plurality of spaced apart nanostructured features that include a contiguous, protrusive material; flash bonding the particles to the surface so that the particles are adherently bonded to the surface; and applying a hydrophobic coating layer to the surface and the particles so that the hydrophobic coating layer conforms to the nanostructured features.

  6. Public Bonding Options | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious RankADVANCED MANUFACTURINGEnergy BillsNo. 195 - Oct. 7, 2011 | DepartmentFunds for Renewables andBonding

  7. Microchannel cooling of face down bonded chips

    DOE Patents [OSTI]

    Bernhardt, A.F.

    1993-06-08

    Microchannel cooling is applied to flip-chip bonded integrated circuits, in a manner which maintains the advantages of flip-chip bonds, while overcoming the difficulties encountered in cooling the chips. The technique is suited to either multi chip integrated circuit boards in a plane, or to stacks of circuit boards in a three dimensional interconnect structure. Integrated circuit chips are mounted on a circuit board using flip-chip or control collapse bonds. A microchannel structure is essentially permanently coupled with the back of the chip. A coolant delivery manifold delivers coolant to the microchannel structure, and a seal consisting of a compressible elastomer is provided between the coolant delivery manifold and the microchannel structure. The integrated circuit chip and microchannel structure are connected together to form a replaceable integrated circuit module which can be easily decoupled from the coolant delivery manifold and the circuit board. The coolant supply manifolds may be disposed between the circuit boards in a stack and coupled to supplies of coolant through a side of the stack.

  8. Vacuum fusion bonding of glass plates

    DOE Patents [OSTI]

    Swierkowski, Steve P. (Livermore, CA); Davidson, James C. (Livermore, CA); Balch, Joseph W. (Livermore, CA)

    2001-01-01

    An improved apparatus and method for vacuum fusion bonding of large, patterned glass plates. One or both glass plates are patterned with etched features such as microstructure capillaries and a vacuum pumpout moat, with one plate having at least one hole therethrough for communication with a vacuum pumpout fixture. High accuracy alignment of the plates is accomplished by a temporary clamping fixture until the start of the fusion bonding heat cycle. A complete, void-free fusion bond of seamless, full-strength quality is obtained through the plates; because the glass is heated well into its softening point and because of a large, distributed force that is developed that presses the two plates together from the difference in pressure between the furnace ambient (high pressure) and the channeling and microstructures in the plates (low pressure) due to the vacuum drawn. The apparatus and method may be used to fabricate microcapillary arrays for chemical electrophoresis; for example, any apparatus using a network of microfluidic channels embedded between plates of glass or similar moderate melting point substrates with a gradual softening point curve, or for assembly of glass-based substrates onto larger substrates, such as in flat panel display systems.

  9. Vacuum fusion bonding of glass plates

    DOE Patents [OSTI]

    Swierkowski, Steve P. (Livermore, CA); Davidson, James C. (Livermore, CA); Balch, Joseph W. (Livermore, CA)

    2000-01-01

    An improved apparatus and method for vacuum fusion bonding of large, patterned glass plates. One or both glass plates are patterned with etched features such as microstructure capillaries and a vacuum pumpout moat, with one plate having at least one hole therethrough for communication with a vacuum pumpout fixture. High accuracy alignment of the plates is accomplished by a temporary clamping fixture until the start of the fusion bonding heat cycle. A complete, void-free fusion bond of seamless, full-strength quality is obtained through the plates; because the glass is heated well into its softening point and because of a large, distributed force that is developed that presses the two plates together from the difference in pressure between the furnace ambient (high pressure) and the channeling and microstructures in the plates (low pressure) due to the vacuum drawn. The apparatus and method may be used to fabricate microcapillary arrays for chemical electrophoresis; for example, any apparatus using a network of microfluidic channels embedded between plates of glass or similar moderate melting point substrates with a gradual softening point curve, or for assembly of glass-based substrates onto larger substrates, such as in flat panel display systems.

  10. Ceramic pressure housing with metal endcaps

    DOE Patents [OSTI]

    Downing, J.P. Jr.; DeRoos, B.G.; Hackman, D.J.

    1995-06-27

    A housing is disclosed for the containment of instrumentation in a high pressure fluid environment that consists of a metallic endcap and ceramic cylinder bonded together. The improvement comprises a structure which results in the improved sealing of said housing as the fluid pressure increases. The cylindrical ceramic tube and endcap are dimensioned such that mechanical failure does not occur when exposed to the desired external operating pressures which includes up to 36,000 feet of water. The housing is designed to withstand the external operating pressures without being subject to mechanical failure or excessive deformation which results in the loss of pressure housing integrity via cracking or deformation of the ceramic tube, deformation of the endcap, or from failure of the bonding agent. 9 figs.

  11. Highly Fluorescent Group 13 Metal Complexes with Cyclic, Aromatic Hydroxamic Acid Ligands

    SciTech Connect (OSTI)

    Seitz, Michael; Moore, Evan G.; Raymond, Kenneth N.

    2008-02-11

    The neutral complexes of two ligands based on the 1-oxo-2-hydroxy-isoquinoline (1,2-HOIQO) motif with group 13 metals (Al, Ga, In) show bright blue-violet luminescence in organic solvents. The corresponding transition can be attributed to ligand-centered singlet emission, characterized by a small Stokes shifts of only a few nm combined with lifetimes in the range between 1-3 ns. The fluorescence efficiency is high, with quantum yields of up to 37% in benzene solution. The crystal structure of one of the indium(III) complexes (trigonal space group R-3, a = b = 13.0384(15) {angstrom}, c = 32.870(8) {angstrom}, ? = {beta} = 90{sup o}, {gamma} = 120{sup o}, V = 4839.3(14) {angstrom}{sup 3}, Z = 6) shows a six-coordinate geometry around the indium center which is close to trigonal-prismatic, with a twist angle between the two trigonal faces of 20.7{sup o}. Time-dependent density functional theory (TD-DFT) calculations (Al and Ga: B3LYP/6-31G(d)); In: B3LYP/LANL2DZ of the fac and mer isomers with one of the two ligands indicate that there is no clear preference for either one of the isomeric forms of the metal complexes. In addition, the metal centers do not have a significant influence on the electronic structure, and as a consequence, on the predominant intraligand optical transitions.

  12. Method of waste stabilization with dewatered chemically bonded phosphate ceramics

    DOE Patents [OSTI]

    Wagh, Arun; Maloney, Martin D.

    2010-06-29

    A method of stabilizing a waste in a chemically bonded phosphate ceramic (CBPC). The method consists of preparing a slurry including the waste, water, an oxide binder, and a phosphate binder. The slurry is then allowed to cure to a solid, hydrated CBPC matrix. Next, bound water within the solid, hydrated CBPC matrix is removed. Typically, the bound water is removed by applying heat to the cured CBPC matrix. Preferably, the quantity of heat applied to the cured CBPC matrix is sufficient to drive off water bound within the hydrated CBPC matrix, but not to volatalize other non-water components of the matrix, such as metals and radioactive components. Typically, a temperature range of between 100.degree. C.-200.degree. C. will be sufficient. In another embodiment of the invention wherein the waste and water have been mixed prior to the preparation of the slurry, a select amount of water may be evaporated from the waste and water mixture prior to preparation of the slurry. Another aspect of the invention is a direct anyhydrous CBPC fabrication method wherein water is removed from the slurry by heating and mixing the slurry while allowing the slurry to cure. Additional aspects of the invention are ceramic matrix waste forms prepared by the methods disclosed above.

  13. Hydrogen Bond Breaking and Reformation in Alcohol Oligomers Following Vibrational Relaxation of a Non-Hydrogen-Bond Donating Hydroxyl Stretch

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen Bond Breaking and Reformation in Alcohol Oligomers Following Vibrational Relaxation of a Non-Hydrogen-Bond Donating Hydroxyl Stretch K. J. Gaffney, I. R. Piletic, and M. D. Fayer* Department measured with ultrafast infrared pump-probe experiments. Non-hydrogen-bond donating OD stretches (2690 cm-1

  14. Crystalline ropes of metallic carbon nanotubes

    SciTech Connect (OSTI)

    Thess, A.; Lee, R.; Nikolaev, P.

    1996-07-26

    Fullerene single-wall nanotubes (SWNTs) were produced in yields of more than 70 percent by condensation of a laser-vaporized carbon-nickel-cobalt mixture at 1200{degrees}C. X-ray diffraction and electron microscopy showed that these SWNTs are nearly uniform in diameter and that they self-organize into {open_quotes}ropes,{close_quotes} which consist of 100 to 500 SWNTs in a two-dimensional triangular lattice with a lattice constant of 17 angstroms. The x-ray form factor is consistent with that of uniformly charged cylinders 13.8 {plus_minus} 0.2 angstroms in diameter. The ropes were metallic, with a single-rope resistivity of <10{sup {minus}4} ohmcentimeters at 300 kelvin. The uniformity of SWNT diameter is attributed to the efficient annealing of an initial fullerene tubelet kept open by a few metal atoms; the optimum diameter is determined by competition between the strain energy of curvature of the graphene sheet and the dangling-bond energy of the open edge, where growth occurs. These factors strongly favor the metallic (10,10) tube with C{sub 5v} symmetry and an open edge stabilized by triple bonds. 33 refs., 5 tabs.

  15. Method for bonding a transmission line to a downhole tool

    DOE Patents [OSTI]

    Hall, David R. (Provo, UT); Fox, Joe (Spanish Fork, UT)

    2007-11-06

    An apparatus for bonding a transmission line to the central bore of a downhole tool includes a pre-formed interface for bonding a transmission line to the inside diameter of a downhole tool. The pre-formed interface includes a first surface that substantially conforms to the outside contour of a transmission line and a second surface that substantially conforms to the inside diameter of a downhole tool. In another aspect of the invention, a method for bonding a transmission line to the inside diameter of a downhole tool includes positioning a transmission line near the inside wall of a downhole tool and placing a mold near the transmission line and the inside wall. The method further includes injecting a bonding material into the mold and curing the bonding material such that the bonding material bonds the transmission line to the inside wall.

  16. Ceramic-metal composite article and joining method

    DOE Patents [OSTI]

    Kang, Shinhoo (Wayland, MA); Selverian, John H. (Burlington, MA); Kim, Hans J. (Concord, MA); Dunn, Edmund M. (Lexington, MA); Kim, Kyung S. (Barrington, RI)

    1992-01-01

    A ceramic-metal article including a ceramic rod, a metal rod, and a braze joining the ceramic and metal rods at a braze area of a coaxial bore in the metal rod. The bore gradually decreases in diameter, having an inward seat area sized for close sliding fit about the ceramic, a larger brazing area near the joint end, and a void area intermediate the braze and seat areas. The ceramic is seated without brazing in the bore seat area. The side wall between the brazing area and the metal outer surface is about 0.030-0.080 inch. The braze includes an inner braze layer, an outer braze layer, and an interlayer about 0.030-0.090 inch thick. A shoulder between the brazing and void areas supports the interlayer during bonding while preventing bonding between the void area and the ceramic member, leaving a void space between the void area and the ceramic member. A venting orifice extends generally radially through the metal member from the outer surface to the void space. The braze layers are palladium, platinum, gold, silver, copper, nickel, indium, chromium, molybdenum, niobium, iron, aluminum, or alloys thereof. Preferred is a gold-palladium-nickel brazing alloy. The interlayer is nickel, molybdenum, copper, tantalum, tungsten, niobium, aluminum, cobalt, iron, or an alloy thereof.

  17. Chemical Bonding in Aqueous Ferrocyanide: Experimental and Theoretical X-ray Spectroscopic Study

    E-Print Network [OSTI]

    Engel, Nicholas; Suljoti, Edlira; Garcia-Diez, Raul; Lange, Kathrin M; Atak, Kaan; Golnak, Ronny; Kothe, Alexander; Dantz, Marcus; Kühn, Oliver; Aziz, Emad F

    2013-01-01

    Resonant inelastic X-ray scattering (RIXS) and X-ray absorption (XA) experiments at the iron L- and nitrogen K-edge are combined with high-level first principles restricted active space self-consistent field (RASSCF) calculations for a systematic investigation of the nature of the chemical bond in potassium ferrocyanide in aqueous solution. The atom- and site-specific RIXS excitations allow for direct observation of ligand-to-metal (Fe L-edge) and metal-to-ligand (N K-edge) charge transfer bands and thereby evidence for strong {\\sigma}-donation and {\\pi}-back-donation. The effects are identified by comparing experimental and simulated spectra related to both the unoccupied and occupied molecular orbitals in solution.

  18. The Hardest Superconducting Metal Nitride

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

    Wang, Shanmin; Antonio, Daniel; Yu, Xiaohui; Zhang, Jianzhong; Cornelius, Andrew L.; He, Duanwei; Zhao, Yusheng

    2015-09-03

    Transition–metal (TM) nitrides are a class of compounds with a wide range of properties and applications. Hard superconducting nitrides are of particular interest for electronic applications under working conditions such as coating and high stress (e.g., electromechanical systems). However, most of the known TM nitrides crystallize in the rock–salt structure, a structure that is unfavorable to resist shear strain, and they exhibit relatively low indentation hardness, typically in the range of 10–20?GPa. Here, we report high–pressure synthesis of hexagonal ?–MoN and cubic ?–MoN through an ion–exchange reaction at 3.5?GPa. The final products are in the bulk form with crystallite sizesmore »of 50 – 80??m. Based on indentation testing on single crystals, hexagonal ?–MoN exhibits excellent hardness of ~30?GPa, which is 30% higher than cubic ?–MoN (~23?GPa) and is so far the hardest among the known metal nitrides. The hardness enhancement in hexagonal phase is attributed to extended covalently bonded Mo–N network than that in cubic phase. The measured superconducting transition temperatures for ?–MoN and cubic ?–MoN are 13.8 and 5.5?K, respectively, in good agreement with previous measurements.« less

  19. The Hardest Superconducting Metal Nitride

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

    Wang, Shanmin; Antonio, Daniel; Yu, Xiaohui; Zhang, Jianzhong; Cornelius, Andrew L.; He, Duanwei; Zhao, Yusheng

    2015-09-03

    Transition–metal (TM) nitrides are a class of compounds with a wide range of properties and applications. Hard superconducting nitrides are of particular interest for electronic applications under working conditions such as coating and high stress (e.g., electromechanical systems). However, most of the known TM nitrides crystallize in the rock–salt structure, a structure that is unfavorable to resist shear strain, and they exhibit relatively low indentation hardness, typically in the range of 10–20 GPa. Here, we report high–pressure synthesis of hexagonal ?–MoN and cubic ?–MoN through an ion–exchange reaction at 3.5 GPa. The final products are in the bulk form withmore »crystallite sizes of 50 – 80 ?m. Based on indentation testing on single crystals, hexagonal ?–MoN exhibits excellent hardness of ~30 GPa, which is 30% higher than cubic ?–MoN (~23 GPa) and is so far the hardest among the known metal nitrides. The hardness enhancement in hexagonal phase is attributed to extended covalently bonded Mo–N network than that in cubic phase. The measured superconducting transition temperatures for ?–MoN and cubic ?–MoN are 13.8 and 5.5 K, respectively, in good agreement with previous measurements.« less

  20. Bond selective chemistry beyond the adiabatic approximation

    SciTech Connect (OSTI)

    Butler, L.J. [Univ. of Chicago, IL (United States)

    1993-12-01

    One of the most important challenges in chemistry is to develop predictive ability for the branching between energetically allowed chemical reaction pathways. Such predictive capability, coupled with a fundamental understanding of the important molecular interactions, is essential to the development and utilization of new fuels and the design of efficient combustion processes. Existing transition state and exact quantum theories successfully predict the branching between available product channels for systems in which each reaction coordinate can be adequately described by different paths along a single adiabatic potential energy surface. In particular, unimolecular dissociation following thermal, infrared multiphoton, or overtone excitation in the ground state yields a branching between energetically allowed product channels which can be successfully predicted by the application of statistical theories, i.e. the weakest bond breaks. (The predictions are particularly good for competing reactions in which when there is no saddle point along the reaction coordinates, as in simple bond fission reactions.) The predicted lack of bond selectivity results from the assumption of rapid internal vibrational energy redistribution and the implicit use of a single adiabatic Born-Oppenheimer potential energy surface for the reaction. However, the adiabatic approximation is not valid for the reaction of a wide variety of energetic materials and organic fuels; coupling between the electronic states of the reacting species play a a key role in determining the selectivity of the chemical reactions induced. The work described below investigated the central role played by coupling between electronic states in polyatomic molecules in determining the selective branching between energetically allowed fragmentation pathways in two key systems.

  1. Repairable chip bonding/interconnect process

    DOE Patents [OSTI]

    Bernhardt, Anthony F. (Berkeley, CA); Contolini, Robert J. (Livermore, CA); Malba, Vincent (Livermore, CA); Riddle, Robert A. (Tracy, CA)

    1997-01-01

    A repairable, chip-to-board interconnect process which addresses cost and testability issues in the multi-chip modules. This process can be carried out using a chip-on-sacrificial-substrate technique, involving laser processing. This process avoids the curing/solvent evolution problems encountered in prior approaches, as well is resolving prior plating problems and the requirements for fillets. For repairable high speed chip-to-board connection, transmission lines can be formed on the sides of the chip from chip bond pads, ending in a gull wing at the bottom of the chip for subsequent solder.

  2. Repairable chip bonding/interconnect process

    DOE Patents [OSTI]

    Bernhardt, A.F.; Contolini, R.J.; Malba, V.; Riddle, R.A.

    1997-08-05

    A repairable, chip-to-board interconnect process which addresses cost and testability issues in the multi-chip modules is disclosed. This process can be carried out using a chip-on-sacrificial-substrate technique, involving laser processing. This process avoids the curing/solvent evolution problems encountered in prior approaches, as well is resolving prior plating problems and the requirements for fillets. For repairable high speed chip-to-board connection, transmission lines can be formed on the sides of the chip from chip bond pads, ending in a gull wing at the bottom of the chip for subsequent solder. 10 figs.

  3. Covalent Bonding in Actinide Sandwich Molecules

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would like submit theCovalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one

  4. Covalent Bonding in Actinide Sandwich Molecules

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would like submit theCovalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was

  5. Bonded Compliant Seal (BCS) - Energy Innovation Portal

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 OutreachProductswsicloudwsiclouddenDVA N C E D B L O OLaura|BilayerBiomimetic DyeBlue Gene/Q Download52015 |Bonded

  6. State Bond Program | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmental Jump to:EA EIS ReportEurope GmbHSoloPage EditStamford,Energy CenterStateState Bond

  7. Cement Bond Log | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmentalBowerbank,CammackFLIR Jump to:RAPIDCavallo Energy JumpCeiling Fan JumpCement Bond Log

  8. Heavy metal biosensor

    DOE Patents [OSTI]

    Hillson, Nathan J; Shapiro, Lucille; Hu, Ping; Andersen, Gary L

    2014-04-15

    Compositions and methods are provided for detection of certain heavy metals using bacterial whole cell biosensors.

  9. Transition metals on the (0001) surface of graphite: Fundamental aspects of adsorption, diffusion, and morphology

    SciTech Connect (OSTI)

    Appy, David [Ames Laboratory; Lei, Huaping [Ames Laboratory; Wang, Cai-Zhuang [Ames Laboratory; Tringides, Michael C [Ames Laboratory; Liu, Da-Jiang [Ames Laboratory; Evans, James W [Ames Laboratory; Thiel, Patricia A [Ames Laboratory

    2014-08-01

    In this article, we review basic information about the interaction of transition metal atoms with the (0 0 0 1) surface of graphite, especially fundamental phenomena related to growth. Those phenomena involve adatom-surface bonding, diffusion, morphology of metal clusters, interactions with steps and sputter-induced defects, condensation, and desorption. General traits emerge which have not been summarized previously. Some of these features are rather surprising when compared with metal-on-metal adsorption and growth. Opportunities for future work are pointed out.

  10. Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers

    SciTech Connect (OSTI)

    Li, Jian-Rong; Yakovenko, Andrey A; Lu, Weigang; Timmons, Daren J; Zhuang, Wenjuan; Yuan, Daqiang; Zhou, Hong-Cai

    2010-12-15

    A systematic exploration of the assembly of Mo?(O?C-)?-based metal–organic molecular architectures structurally controlled by the bridging angles of rigid organic linkers has been performed. Twelve bridging dicarboxylate ligands were designed to be of different sizes with bridging angles of 0, 60, 90, and 120° while incorporating a variety of nonbridging functional groups, and these ligands were used as linkers. These dicarboxylate linkers assemble with quadruply bonded Mo–Mo clusters acting as nodes to give 13 molecular architectures, termed metal–organic polygons/polyhedra with metal cluster node arrangements of a linear shape, triangle, octahedron, and cuboctahedron/anti-cuboctahedron. The syntheses of these complexes have been optimized and their structures determined by single-crystal X-ray diffraction. The results have shown that the shape and size of the resulting molecular architecture can be controlled by tuning the bridging angle and size of the linker, respectively. Functionalization of the linker can adjust the solubility of the ensuing molecular assembly but has little or no effect on the geometry of the product. Preliminary gas adsorption, spectroscopic, and electrochemical properties of selected members were also studied. The present work is trying to enrich metal-containing supramolecular chemistry through the inclusion of well-characterized quadruply bonded Mo–Mo units into the structures, which can widen the prospect of additional electronic functionality, thereby leading to novel properties.

  11. Municipal Bond - Power Purchase Agreement Model Continues to...

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

    power purchase agreement model to provide low-cost solar energy. Author: National Renewable Energy Laboratory Municipal Bond - Power Purchase Agreement Model Continues to Provide...

  12. Qualified Energy Conservation Bond (QECB) Update: New Guidance...

    Office of Environmental Management (EM)

    clarification of what constitutes a qualified project for potential issuers of qualified energy conservation bond capacity. Author: Lawrence Berkeley National Laboratory Qualified...

  13. Energetics of Hydrogen Bond Network Rearrangements in Liquid...

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

    Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print The unique chemical and physical properties of liquid water are thought to result from the highly...

  14. Qualified Energy Conservation Bonds (ŤQECBs?) & New Clean Renewable...

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

    Conservation Bonds (QECBs) may be issued by state, local and tribal governments to finance qualified energy conservation projects. A minimum of 70% of a state's allocation must...

  15. Douglas County School District (Nevada) Bonds Case Study | Department...

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

    Bonds Case Study Douglas County School District faced a challenging combination of aging equipment and buildings (most over 37 years old), rising energy costs, and limited...

  16. Thermal transport properties of metal/MoS{sub 2} interfaces from first principles

    SciTech Connect (OSTI)

    Mao, Rui; Kong, Byoung Don; Kim, Ki Wook, E-mail: kwk@ncsu.edu [Department of Electrical and Computer Engineering, North Carolina State University, Raleigh, North Carolina 27695-7911 (United States)

    2014-07-21

    Thermal transport properties at the metal/MoS{sub 2} interfaces are analyzed by using an atomistic phonon transport model based on the Landauer formalism and first-principles calculations. The considered structures include chemisorbed Sc(0001)/MoS{sub 2} and Ru(0001)/MoS{sub 2}, physisorbed Au(111)/MoS{sub 2}, as well as Pd(111)/MoS{sub 2} with intermediate characteristics. Calculated results illustrate a distinctive dependence of thermal transfer on the details of interfacial microstructures. More specifically, the chemisorbed case with a stronger bonding exhibits a generally smaller interfacial thermal resistance than the physisorbed. Comparison between metal/MoS{sub 2} and metal/graphene systems suggests that metal/MoS{sub 2} is significantly more resistive. Further examination of lattice dynamics identifies the presence of multiple distinct atomic planes and bonding patterns at the interface as the key origins of the observed large thermal resistance.

  17. Differentiation of O-H and C-H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments

    SciTech Connect (OSTI)

    Salciccioli, Michael [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Yu, Weiting [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Barteau, Mark A. [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Chen, Jingguang G. [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Vlachos, Dionisios G. [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST)

    2011-05-25

    Understanding and controlling bond-breaking sequences of oxygenates on transition metal catalysts can greatly impact the utilization of biomass feedstocks for fuels and chemicals. The decomposition of ethylene glycol, as the simplest representative of biomass-derived polyols, was studied via density functional theory (DFT) calculations to identify the differences in reaction pathways between Pt and the more active Ni/Pt bimetallic catalyst. Comparison of the computed transition states indicated three potentially feasible paths from ethylene glycol to C1 oxygenated adsorbates on Pt. While not important on Pt, the pathway to 1,2-dioxyethylene (OCH?CH?O) is favored energetically on the Ni/Pt catalyst. Temperature-programmed desorption (TPD) experiments were conducted with deuterated ethylene glycols for comparison with DFT results. These experiments confirmed that decomposition of ethylene glycol on Pt proceeds via initial O–H bond cleavage, followed by C–H and the second O–H bond cleavages, whereas on the Ni/Pt surface, both O–H bonds are cleaved initially. The results are consistent with vibrational spectra and indicate that tuning of the catalyst surface can selectively control bond breaking. Finally, the significant mechanistic differences in decomposition of polyols compared to that of monoalcohols and hydrocarbons serve to identify general trends in bond scission sequences.

  18. Metal halogen electrochemical cell

    SciTech Connect (OSTI)

    Walsh, F.M.

    1986-06-03

    An electrochemical cell is described having a metal anode selected from the group consisting of zinc and cadmium; a bromine cathode; and, an aqueous electrolyte containing a metal bromide, the metal having the same metal as the metal of the anode, the improvement comprising: a bromine complexing agent in the aqueous metal bromide electrolyte consisting solely of a tetraorgano substituted ammonium salt, which salt is soluble of water and forms and substantially water immiscible liquid bromine complex at temperatures in the range of about 10/sup 0/C. to about 60/sup 0/C. and wherein the tetraorgano substituted ammonium salt is selected from asymmetric quaternary ammonium compounds.

  19. Metal-Air Batteries

    SciTech Connect (OSTI)

    Zhang, Jiguang; Bruce, Peter G.; Zhang, Gregory

    2011-08-01

    Metal-air batteries have much higher specific energies than most currently available primary and rechargeable batteries. Recent advances in electrode materials and electrolytes, as well as new designs on metal-air batteries, have attracted intensive effort in recent years, especially in the development of lithium-air batteries. The general principle in metal-air batteries will be reviewed in this chapter. The materials, preparation methods, and performances of metal-air batteries will be discussed. Two main metal-air batteries, Zn-air and Li-air batteries will be discussed in detail. Other type of metal-air batteries will also be described.

  20. Method of bonding single crystal quartz by field-assisted bonding

    DOE Patents [OSTI]

    Curlee, R.M.; Tuthill, C.D.; Watkins, R.D.

    1991-04-23

    The method of producing a hermetic stable structural bond between quartz crystals includes providing first and second quartz crystals and depositing thin films of borosilicate glass and silicon on portions of the first and second crystals, respectively. The portions of the first and second crystals are then juxtaposed in a surface contact relationship and heated to a temperature for a period sufficient to cause the glass and silicon films to become electrically conductive. An electrical potential is then applied across the first and second crystals for creating an electrostatic field between the adjoining surfaces and causing the juxtaposed portions to be attracted into an intimate contact and form a bond for joining the adjoining surfaces of the crystals. 2 figures.

  1. Gas-phase ultraviolet photoelectron spectroscopy and molecular orbital calculations on transition metal carbonyls and nitrosyls 

    E-Print Network [OSTI]

    Morris-Sherwood, Betty Jeanne

    1981-01-01

    the complexes are formally M(0) 3d 6 the calculations suggest that the "metal" electrons are highly delocalized onto the nitrosyls. This suggestion is supported by the similarity in the ionization energies of the chromium complexes to those... f t d tyj la~lao ~Ch 1 t? description of the molecular orbitals, which can be useful in under- standing the chemistry and bonding in transition metal complexes. The following study will apply PE spectroscopy and MO calcula- tions to derivatives...

  2. Silica coated magnetite nanoparticles for removal of heavy metal ions from polluted waters

    E-Print Network [OSTI]

    Dash, Monika

    2013-01-01

    Magnetic removal of Hg2+ and other heavy metal ions like Cd2+, Pb2+ etc. using silica coated magnetite particles from polluted waters is a current topic of active research to provide efficient water recycling and long term high quality water. The technique used to study the bonding characteristics of such kind of nanoparticles with the heavy metal ions is a very sensitive hyperfine specroscopy technique called the perturbed angular correlation technique (PAC).

  3. Metal-Ion-Mediated Reactions

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

    Metal-Ion-Mediated Reactions Metal-Ion-Mediated Reactions Print Monday, 19 December 2011 18:29 While mononuclear, polynuclear, and polymeric metal complexes are most often...

  4. Flip chip electrical interconnection by selective electroplating and bonding

    E-Print Network [OSTI]

    Lin, Liwei

    Flip chip electrical interconnection by selective electroplating and bonding L.-W. Pan, P. Yuen, L resistance of the electroplating bond is 12 W. This process has potential applications in replacing-step approach for high-density electrical in- terconnection by using flip chip selective electroplating

  5. Proton Transfer and Hydrogen Bonding in Chemical and Biological

    E-Print Network [OSTI]

    Amrhein, Valentin

    Proton Transfer and Hydrogen Bonding in Chemical and Biological Systems: A Force Field Approach and support. i #12;ii #12;Abstract Proton transfer and hydrogen bonds are fundamental for the function be regarded as incipient proton transfer reactions, so theoretically they can be de- scribed in unitary way

  6. Quantum Finance Hamiltonian for Coupon Bond European and Barrier Options

    E-Print Network [OSTI]

    Chaudhuri, Sanjay

    Quantum Finance Hamiltonian for Coupon Bond European and Barrier Options Belal E. Baaquie RMI are financial derivatives that can be analyzed in the Hamiltonian formulation of quantum finance. Forward-2963 Fax: (65) 6777-6126 Email: phybeb@nus.edu.sg #12;Quantum Finance Hamiltonian for Coupon Bond European

  7. Material Properties of Chemically Bonded Phosphate Ceramic/Wood Interfaces

    E-Print Network [OSTI]

    Collins, Gary S.

    Material Properties of Chemically Bonded Phosphate Ceramic/Wood Interfaces M.J. Benjamin, K Chemically bonded phosphate ceramics (CBPCs) are man made inorganic solids that lie in between hydraulic cements and ceramics . Normally, ceramics are sintered at temperatures ranging from 700-2000C

  8. Water growth on metals and oxides: binding, dissociation and role of hydroxyl groups

    SciTech Connect (OSTI)

    Salmeron, M.; Bluhm, H.; Tatarkhanov, M.; Ketteler, G.; Shimizu, T.K.; Mugarza, A.; Deng, Xingyi; Herranz, T.; Yamamoto, S.; Nilsson, A.

    2008-09-01

    The authors discuss the role of the presence of dangling H bonds from water or from surface hydroxyl species on the wetting behavior of surfaces. Using Scanning Tunneling and Atomic Force Microscopies, and Photoelectron Spectroscopy, they have examined a variety of surfaces, including mica, oxides, and pure metals. They find that in all cases, the availability of free, dangling H-bonds at the surface is crucial for the subsequent growth of wetting water films. In the case of mica electrostatic forces and H-bonding to surface O atoms determine the water orientation in the first layer and also in subsequent layers with a strong influence in its wetting characteristics. In the case of oxides like TiO{sub 2}, Cu{sub 2}O, SiO{sub 2} and Al{sub 2}O{sub 3}, surface hydroxyls form readily on defects upon exposure to water vapor and help nucleate the subsequent growth of molecular water films. On pure metals, such as Pt, Pd, and Ru, the structure of the first water layer and whether or not it exhibits dangling H bonds is again crucial. Dangling H-bonds are provided by molecules with their plane oriented vertically, or by OH groups formed by the partial dissociation of water. By tying the two II atoms of the water molecules into strong H-bonds with pre-adsorbed O on Ru can also quench the wettability of the surface.

  9. Liquid Metal Transformers

    E-Print Network [OSTI]

    Sheng, Lei; Liu, Jing

    2014-01-01

    The room temperature liquid metal is quickly emerging as an important functional material in a variety of areas like chip cooling, 3D printing or printed electronics etc. With diverse capabilities in electrical, thermal and flowing behaviors, such fluid owns many intriguing properties that had never been anticipated before. Here, we show a group of unconventional phenomena occurring on the liquid metal objects. Through applying electrical field on the liquid metals immersed in water, a series of complex transformation behaviors such as self-assembling of a sheet of liquid metal film into a single sphere, quick mergences of separate metal droplets, controlled self-rotation and planar locomotion of liquid metal objects can be realized. Meanwhile, it was also found that two accompanying water vortexes were induced and reliably swirled near the rotating liquid metal sphere. Further, effects of the shape, size, voltage, orientation and geometries of the electrodes to control the liquid metal transformers were clar...

  10. Metal phthalocyanine catalysts

    DOE Patents [OSTI]

    Ellis, P.E. Jr.; Lyons, J.E.

    1994-10-11

    A new composition of matter is described which is an alkali metal or ammonium or tetraalkylammonium diazidoperfluorophthalocyanatoferrate. Other embodiments of the invention comprise compositions wherein the metal of the coordination complex is cobalt, manganese and chromium.

  11. Metal phthalocyanine catalysts

    DOE Patents [OSTI]

    Ellis, Jr., Paul E. (Downingtown, PA); Lyons, James E. (Wallingford, PA)

    1994-01-01

    As a new composition of matter, alkali metal or ammonium or tetraalkylammonium diazidoperfluorophthalocyanatoferrate. Other embodiments of the invention comprise compositions wherein the metal of the coordination complex is cobalt, manganese and chromium.

  12. Durable metallized polymer mirror

    DOE Patents [OSTI]

    Schissel, P.O.; Kennedy, C.E.; Jorgensen, G.J.; Shinton, Y.D.; Goggin, R.M.

    1994-11-01

    A metallized polymer mirror construction is disclosed having improved durability against delamination and tunneling, comprising: an outer layer of polymeric material; a metal oxide layer underlying the outer layer of polymeric material; a silver reflective layer underneath the metal oxide layer; and a layer of adhesive attaching the silver layer to a substrate. 6 figs.

  13. Durable metallized polymer mirror

    DOE Patents [OSTI]

    Schissel, Paul O. (Golden, CO); Kennedy, Cheryl E. (Lafayette, CO); Jorgensen, Gary J. (Pine, CO); Shinton, Yvonne D. (Northglenn, CO); Goggin, Rita M. (Englewood, CO)

    1994-01-01

    A metallized polymer mirror construction having improved durability against delamination and tunneling, comprising: an outer layer of polymeric material; a metal oxide layer underlying the outer layer of polymeric material; a silver reflective layer underneath the metal oxide layer; and a layer of adhesive attaching the silver layer to a substrate.

  14. PHYTOEXTRACTION OF HEAVY METALS

    E-Print Network [OSTI]

    Blouin-Demers, Gabriel

    Plants Chelating agents Pb hyperaccumulation Effects of pH on metal extraction Disposal options contaminants from soils Contaminants must be in harvestable portions of the plant (Wongkongkatep et al. 2003) Chelating Agents: desorb heavy metals from soil matrix and form water-soluble metal complexes (Shen et al

  15. Metal Affinity Chromatography (MAC)

    E-Print Network [OSTI]

    Lebendiker, Mario

    Fractogel® Metal Affinity Chromatography (MAC) Resins and Cartridges Tools for His·Tag® Fusion-MACTM Cartridges #12;2 Novagen · Fractogel Metal Affinity Chromatography (MAC) Resins Ni-MACTM , Co-MACTM and u-MACTM Metal Affinity Chromatography (MAC) Resins and Cartridges HI Ni2+ Ni2+ Ni2+ HISHISHI SHISHISHIS Ni2

  16. Metal roofing Shingle roofing

    E-Print Network [OSTI]

    Hutcheon, James M.

    Metal roofing panel Shingle roofing Water & ice barrier Thermal Barrier Plywood Student: Arpit a cost benefit analysis and choose the most efficient and cost effective modification. Metal or shingle roof with only a water barrier between the plywood and the roofing panels. Metal roofing panel Shingle

  17. Rhodium mediated bond activation: from synthesis to catalysis

    SciTech Connect (OSTI)

    Ho, Hung-An

    2012-03-06

    Recently, our lab has developed monoanionic tridentate ligand, To{sup R}, showing the corresponding coordination chemistry and catalyst reactivity of magnesium, zirconium, zinc and iridium complexes. This thesis details synthetic chemistry, structural study and catalytic reactivity of the To{sup R}-supported rhodium compounds. Tl[To{sup R}] has been proved to be a superior ligand transfer agent for synthesizing rhodium complexes. The salt metathesis route of Tl[To{sup M}] with [Rh({mu}-Cl)(CO)]{sub 2} and [Rh({mu}- Cl)(COE)]{sub 2} gives To{sup M}Rh(CO){sub 2} (2.2) and To{sup M}RhH({eta}{sup 3}-C{sub 8}H{sub 13}) (3.1) respectively while Tl[To{sup P}] with [Rh({mu}-Cl)(CO)]{sub 2} affords To{sup P}Rh(CO){sub 2} (2.3). 2.2 reacts with both strong and weak electrophiles, resulting in the oxazoline N-attacked and the metal center-attacked compounds correspondingly. Using one of the metal center-attacked electrophiles, 2.3 was demonstrated to give high diastereoselectivity. Parallel to COE allylic C-H activation complex 3.1, the propene and allylbenzene allylic C-H activation products have also been synthesized. The subsequent functionalization attempts have been examined by treating with Brřnsted acids, Lewis acids, electrophiles, nucleophiles, 1,3-dipolar reagents and reagents containing multiple bonds able to be inserted. Various related complexes have been obtained under these conditions, in which one of the azide insertion compounds reductively eliminates to give an allylic functionalization product stoichiometrically. 3.1 reacts with various primary alcohols to give the decarbonylation dihydride complex To{sup M}Rh(H){sub 2}CO (4.1). 4.1 shows catalytic reactivity for primary alcohol decarbonylation under a photolytic condition. Meanwhile, 2.2 has been found to be more reactive than 4.1 for catalytic alcohol decarbonylation under the same condition. Various complexes and primary alcohols have been investigated as well. The proposed mechanism is based on the stochiometric reactions of the possible metal and organic intermediates. Primary amines, hypothesized to undergo a similar reaction pathway, have been verified to give dehydrogenative coupling product, imines. In the end, the well-developed neutral tridentate Tpm coordinates to the rhodium bis(ethylene) dimer in the presence of TlPF{sub 6} to give the cationic complex, [TpmRh(C{sub 2}H{sub 4}){sub 2}][PF{sub 6}] (5.1). 5.1 serves as the first example of explicit determination of the solid state hapticity, evidenced by X-ray structure, among all the cationic Tpm{sup R}M(C{sub 2}H{sub 4}){sub 2}{sup +} (Tpm{sup R} = Tpm, Tpm*, M = Rh, Ir) derivatives. The substitution chemistry of this compound has been studied by treating with soft and hard donors. The trimethylphosphine-sbustituted complex activates molecular hydrogen to give the dihydride compound.

  18. Backward and forward modes guided by metal-dielectric-metal

    E-Print Network [OSTI]

    Backward and forward modes guided by metal-dielectric-metal plasmonic waveguides Arthur R. Davoyan by metal-dielectric-metal plasmonic waveguides Arthur R. Davoyan,a Ilya V. Shadrivov,a Sergey I.davoyan@gmail.com Abstract. We revisited the problem of the existence of plasmonic modes guided by metal- dielectric-metal

  19. Theoretical Electron Density Distributions for Fe-and Cu-Sulfide Earth Materials: A Connection between Bond Length, Bond Critical Point Properties, Local Energy Densities,

    E-Print Network [OSTI]

    Downs, Robert T.

    between Bond Length, Bond Critical Point Properties, Local Energy Densities, and Bonded Interactions G. V; In Final Form: December 6, 2006 Bond critical point and local energy density properties together with netTheoretical Electron Density Distributions for Fe- and Cu-Sulfide Earth Materials: A Connection

  20. High-pressure structure of half-metallic CrO2 B. R. Maddox

    E-Print Network [OSTI]

    Pickett, Warren

    measurable discontinuity in volume, but is accompanied by an apparent increase in compressibility. Raman data. 1 , one of the most fundamental building blocks of co- valently bonded network structures found in hard materials and earth minerals like stishovite. Larger metal ions i.e., M=W, Re, Mo, etc. , however

  1. Computational Studies of the Electronic Structures and Mechanisms of Late Transition Metal Systems 

    E-Print Network [OSTI]

    Pitts, Amanda

    2013-08-27

    that were studied. The first system focuses on the formation of a carbon-bromine bond from the reaction of Ni(Ar)(Br)(pic) (Ar = 2-phenylpyridine, pic = 2-picoloine) with Br2. Unlike the typical behavior of heavier group 10 metals that have a wider range...

  2. Non-bonded force field for the interaction between metals and organic molecules

    E-Print Network [OSTI]

    Mueser, Martin

    Laboratory, General Motors R&D Center Warren, MI 48090-9055 April 3, 2009 Abstract An approach) calculations for the simulating of ethanol adsorption on Au(111) surfaces.18 Zerbetto and collaborators have

  3. Bimetallic cleavage of aromatic C-H bonds by rare-earth-metal complexes

    E-Print Network [OSTI]

    Huang, W; Huang, W; Dulong, F; Khan, SI; Cantat, T; Diaconescu, PL

    2014-01-01

    of naphthalene mediated by lutetium(III). Comments on Schemethe coordination of the lutetium ions on the same ring at ayttrium, lanthanum, and lutetium) were purchased from

  4. Nanoscale metals and semiconductors for the storage of solar energy in chemical bonds

    E-Print Network [OSTI]

    Manthiram, Karthish

    2015-01-01

    hydrogen evolution reaction overpotentials and adsorbate binding energies, such as zinc, gallium, palladium,

  5. Tuning the Metal-Adsorbate Chemical Bond through the Ligand Effect on

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effectWorking With WIPP UPDATE: April 15, 2014 Truck fireContactPlatinum Subsurface

  6. Vacuum pull down method for an enhanced bonding process

    DOE Patents [OSTI]

    Davidson, James C. (Livermore, CA); Balch, Joseph W. (Livermore, CA)

    1999-01-01

    A process for effectively bonding arbitrary size or shape substrates. The process incorporates vacuum pull down techniques to ensure uniform surface contact during the bonding process. The essence of the process for bonding substrates, such as glass, plastic, or alloys, etc., which have a moderate melting point with a gradual softening point curve, involves the application of an active vacuum source to evacuate interstices between the substrates while at the same time providing a positive force to hold the parts to be bonded in contact. This enables increasing the temperature of the bonding process to ensure that the softening point has been reached and small void areas are filled and come in contact with the opposing substrate. The process is most effective where at least one of the two plates or substrates contain channels or grooves that can be used to apply vacuum between the plates or substrates during the thermal bonding cycle. Also, it is beneficial to provide a vacuum groove or channel near the perimeter of the plates or substrates to ensure bonding of the perimeter of the plates or substrates and reduce the unbonded regions inside the interior region of the plates or substrates.

  7. High Metallicity LGRB Hosts

    E-Print Network [OSTI]

    Graham, J F; Levesque, E M; Kewley, L J; Tanvir, N R; Levan, A J; Patel, S K; Misra, K; Huang, K -H; Reichart, D E; Nysewander, M; Schady, P

    2015-01-01

    We present our imaging and spectroscopic observations of the host galaxies of two dark long bursts with anomalously high metallicities, LGRB 051022 and LGRB 020819B, which in conjunction with another LGRB event with an optical afterglow comprise the three LGRBs with high metallicity host galaxies in the Graham & Fruchter (2013) sample. In Graham & Fruchter (2013), we showed that LGRBs exhibit a strong and apparently intrinsic preference for low metallicity environments (12+log(O/H) & redshift. This is surprising: even among a preselected sample of high metallicity LGRBs, were the metal aversion to remain in effect for these objects, we would expect their metallicity to still be lower than the typical metallicity for the galaxies at that luminosity and redshift. Therefore we deduce that it...

  8. Hydrogen Bond Dynamics Probed with Ultrafast Infrared Heterodyne-Detected Multidimensional Vibrational Stimulated Echoes

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen Bond Dynamics Probed with Ultrafast Infrared Heterodyne-Detected Multidimensional, USA (Received 24 February 2003; published 3 December 2003) Hydrogen bond dynamics are explicated hydrogen bonded network are measured with ultrashort (

  9. Extraction process for removing metallic impurities from alkalide metals

    DOE Patents [OSTI]

    Royer, L.T.

    1987-03-20

    A development is described for removing metallic impurities from alkali metals by employing an extraction process wherein the metallic impurities are extracted from a molten alkali metal into molten lithium metal due to the immiscibility of the alkali metals in lithium and the miscibility of the metallic contaminants or impurities in the lithium. The purified alkali metal may be readily separated from the contaminant-containing lithium metal by simple decanting due to the differences in densities and melting temperatures of the alkali metals as compared to lithium.

  10. Wire bond vibration of forward pixel tracking detector of CMS

    SciTech Connect (OSTI)

    Atac, M.; /Fermilab; Gobbi, B.; /Northwestern U.; Kwan, S.; Pischalnikov, Y.; /Fermilab; Spencer, E.; /Northwestern U.; Sellberg, G.; Pavlicek, V.; /Fermilab

    2006-10-01

    Wire bonds of the Forward Pixel (FPix) tracking detectors are oriented in the direction that maximizes Lorentz Forces relative to the 4 Tesla field of the Compact Muon Solenoid (CMS) Detector's magnet. The CMS Experiment is under construction at the Large Hadron Collider at CERN, Geneva, Switzerland. We were concerned about Lorentz Force oscillating the wires at their fundamental frequencies and possibly fracturing or breaking them at their heels, as happened with the CDF wire bonds. This paper reports a study to understand what conditions break such bonds.

  11. Hydrogen-Bond Networks: Strengths of Different Types of Hydrogen Bonds and An Alternative to the Low Barrier Hydrogen-Bond Proposal

    SciTech Connect (OSTI)

    Shokri, Alireza; Wang, Yanping; O'Doherty, George A.; Wang, Xue B.; Kass, Steven R.

    2013-11-27

    We report quantifying the strengths of different types of hydrogen bonds in hydrogen bond networks (HBNs) via measurement of the adiabatic electron detachment energy of the conjugate base of a small covalent polyol model compound (i.e., (HOCH2CH2CH(OH)CH2)2CHOH) in the gas phase and the pKa of the corresponding acid in DMSO. The latter result reveals that the hydrogen bonds to the charged center and those that are one solvation shell further away (i.e., primary and secondary) provide 5.3 and 2.5 pKa units of stabilization per hydrogen bond in DMSO. Computations indicate that these energies increase to 8.4 and 3.9 pKa units in benzene and that the total stabilizations are 16 (DMSO) and 25 (benzene) pKa units. Calculations on a larger linear heptaol (i.e., (HOCH2CH2CH(OH)CH2CH(OH)CH2)2CHOH) reveal that the terminal hydroxyl groups each contribute 0.6 pKa units of stabilization in DMSO and 1.1 pKa units in benzene. All of these results taken together indicate that the presence of a charged center can provide a powerful energetic driving force for enzyme catalysis and conformational changes such as in protein folding due to multiple hydrogen bonds in a HBN.

  12. Scaling Relationships for Adsorption Energies of C2 Hydrocarbons on Transition Metal Surfaces

    SciTech Connect (OSTI)

    Jones, G

    2011-08-18

    Using density functional theory calculations we show that the adsorption energies for C{sub 2}H{sub x}-type adsorbates on transition metal surfaces scale with each other according to a simple bond order conservation model. This observation generalizes some recently recognized adsorption energy scaling laws for AH{sub x}-type adsorbates to unsaturated hydrocarbons and establishes a coherent simplified description of saturated as well as unsaturated hydrocarbons adsorbed on transition metal surfaces. A number of potential applications are discussed. We apply the model to the dehydrogenation of ethane over pure transition metal catalysts. Comparison with the corresponding full density functional theory calculations shows excellent agreement.

  13. Emission intensity in the visible and IR spectral ranges from Si-based structures formed by direct bonding with simultaneous doping with erbium (Er) and europium (Eu)

    SciTech Connect (OSTI)

    Mezdrogina, M. M., E-mail: margaret.m@mail.ioffe.ru; Kostina, L. S.; Beliakova, E. I.; Kuzmin, R. V. [Russian Academy of Sciences, Ioffe Physical-Technical Institute (Russian Federation)] [Russian Academy of Sciences, Ioffe Physical-Technical Institute (Russian Federation)

    2013-09-15

    The photo- and electroluminescence spectra of silicon-based structures formed by direct bonding with simultaneous doping with rare-earth metals are studied. It is shown that emission in the visible and IR spectral ranges can be obtained from n-Si:Er/p-Si and n-Si:Eu/p-Si structures fabricated by the method suggested in the study. The results obtained make this method promising for the fabrication of optoelectronic devices.

  14. Low temperature transient liquid phase bonding of copper

    E-Print Network [OSTI]

    Williams, Joel C. (Joel Carlton)

    2005-01-01

    This thesis describes a Pb-free solder alternative that is capable of fluxless bonding. The main advantage of this process is that it offers the benefits of low fabrication temperature (125?C) while producing a joint capable ...

  15. MODE II FRACTURE BEHAVIOR OF BONDED VISCOELASTIC THERMAL COMPRESSED WOOD

    E-Print Network [OSTI]

    Nairn, John A.

    MODE II FRACTURE BEHAVIOR OF BONDED VISCOELASTIC THERMAL COMPRESSED WOOD Andreja Kutnar* Graduate Student Department of Wood Science and Technology Biotechnical Faculty University of Ljubljana 1000 Ljubljana, Slovenia Frederick A. Kamke Professor John A. Nairn Professor Department of Wood Science

  16. Mpemba paradox: Hydrogen bond memory and water-skin supersolidity

    E-Print Network [OSTI]

    Chang Q Sun

    2015-01-05

    Numerical reproduction of measurements, experimental evidence for skin super-solidity and hydrogen-bond memory clarified that Mpemba paradox integrates the heat emission-conduction-dissipation dynamics in the source-path-drain cycle system.

  17. Spectroscopic investigations of hydrogen bond dynamics in liquid water

    E-Print Network [OSTI]

    Fecko, Christopher J., 1975-

    2004-01-01

    Many of the remarkable physical and chemical properties of liquid water are due to the strong influence hydrogen bonds have on its microscopic dynamics. However, because of the fast timescales involved, there are relatively ...

  18. Application of Social Impact Bonds in Built Infrastructure Sustainability Projects 

    E-Print Network [OSTI]

    White, Robert Joseph

    2014-05-01

    This study examines a first look at the implementation of Social Impact Bonds (SIB) for sustainability projects by comparing two cases. The cases are described using System Dynamic (SD) modeling to portray the feedback structures and characteristics...

  19. Bond graph models of electromechanical systems. The AC generator case

    E-Print Network [OSTI]

    Batlle, Carles

    Bond graph models of electromechanical systems. The AC generator case Carles Batlle Department. After reviewing electromechanical energy conversion and torque gener- ation, the core element present in any electromechanical system is introduced, and the corresponding electrical and mechanical ports

  20. Reply to comment on "Quantum Confinement in Hydrogen Bond"

    E-Print Network [OSTI]

    Santos, Carlos da Silva dos; Ricotta, Regina Maria

    2015-01-01

    We reply to the comments on our paper "Quantum Confinement in Hydrogen Bond" (Int. J. Quantum Chem. 115 (2015) 765 DOI: 10.1002/qua.24894) made by Matthias Heger and Martin A. Suhm.

  1. Influence of receptor flexibility on intramolecular H-bonding interactions

    E-Print Network [OSTI]

    Sun, Hongmei; Guo, Kai; Gan, Haifeng; Li, Xin; Hunter, Christopher A.

    2015-01-01

    Atropisomers of a series of zinc tetraphenyl porphyrins were synthesized and used as supramolecular receptors. Rotation around the porphyrin-meso phenyl bonds is restricted by installing ortho-chlorine substituents on the phenyl groups. The chlorine...

  2. IRS Announces New Tribal Economic Development Bond Allocation Guidance

    Broader source: Energy.gov [DOE]

    Treasury and the IRS published new guidance today allocating Tribal Economic Development Bonds (TEDBs) for Tribes that have projects that are in the final stages of going to the market to receive financing.

  3. Low-Cost Financing with Clean Renewable Energy Bonds

    Broader source: Energy.gov [DOE]

    Contains information from the TAP Webcast on June 24, 2009 on clean renewable energy bonds from Claire Kreycik on feed-in tariffs, an economic resource for developing renewable energy.

  4. Time-Resolved Study of Bonding in Liquid Carbon

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

    Time-Resolved Study of Bonding in Liquid Carbon Print We are accustomed to observing carbon in its elemental form as a solid, ranging from the soft "lead" in pencils to the...

  5. The Geography of European Convertible Bonds: Why Firms Issue Convertibles?

    E-Print Network [OSTI]

    Saskatchewan, University of

    1 The Geography of European Convertible Bonds: Why Firms Issue Convertibles? Franck Bancel Usha R at the geography of CB issuance. The size and development of the CB market varies widely across countries and over

  6. Understanding mechanisms for C-H bond activation 

    E-Print Network [OSTI]

    Vastine, Benjamin Alan

    2009-05-15

    The results from density functional theory (DFT) studies into C–H bond activation, hydrogen transfer, and alkyne–to–vinylidene isomerization are presented in this work. The reaction mechanism for the reductive elimination ...

  7. Integrated optical MEMS using through-wafer vias and bump-bonding.

    SciTech Connect (OSTI)

    McCormick, Frederick Bossert; Frederick, Scott K.

    2008-01-01

    This LDRD began as a three year program to integrate through-wafer vias, micro-mirrors and control electronics with high-voltage capability to yield a 64 by 64 array of individually controllable micro-mirrors on 125 or 250 micron pitch with piston, tip and tilt movement. The effort was a mix of R&D and application. Care was taken to create SUMMiT{trademark} (Sandia's ultraplanar, multilevel MEMS technology) compatible via and mirror processes, and the ultimate goal was to mate this MEMS fabrication product to a complementary metal-oxide semiconductor (CMOS) electronics substrate. Significant progress was made on the via and mirror fabrication and design, the attach process development as well as the electronics high voltage (30 volt) and control designs. After approximately 22 months, the program was ready to proceed with fabrication and integration of the electronics, final mirror array, and through wafer vias to create a high resolution OMEMS array with individual mirror electronic control. At this point, however, mission alignment and budget constraints reduced the last year program funding and redirected the program to help support the through-silicon via work in the Hyper-Temporal Sensors (HTS) Grand Challenge (GC) LDRD. Several months of investigation and discussion with the HTS team resulted in a revised plan for the remaining 10 months of the program. We planned to build a capability in finer-pitched via fabrication on thinned substrates along with metallization schemes and bonding techniques for very large arrays of high density interconnects (up to 2000 x 2000 vias). Through this program, Sandia was able to build capability in several different conductive through wafer via processes using internal and external resources, MEMS mirror design and fabrication, various bonding techniques for arrayed substrates, and arrayed electronics control design with high voltage capability.

  8. Metal atomization spray nozzle

    DOE Patents [OSTI]

    Huxford, T.J.

    1993-11-16

    A spray nozzle for a magnetohydrodynamic atomization apparatus has a feed passage for molten metal and a pair of spray electrodes mounted in the feed passage. The electrodes, diverging surfaces which define a nozzle throat and diverge at an acute angle from the throat. Current passes through molten metal when fed through the throat which creates the Lorentz force necessary to provide atomization of the molten metal. 6 figures.

  9. Bonded Bracket Assmebly for Frameless Solar Panels

    SciTech Connect (OSTI)

    Murray, Todd

    2013-01-30

    In February 2011 the US Department of Energy announced their new Sunshot Initiative. The Sunshot goal is to reduce the total cost of solar energy systems by about 75 percent before the end of the decade. The DOE estimated that a total installed cost of $1 per watt for photovoltaic systems would be equivalent to 6���¢/kilowatt hour (kWh) for energy available from the grid. The DOE also estimated that to meet the $1 per watt goal, PV module costs would need to be reduced to $.50 per watt, balance of systems costs would need to be reduced to $.40 per watt, and power electronic costs would need to reach $.10 per watt. To address the BOS balance of systems cost component of the $1 per watt goal, the DOE announced a funding opportunity called (BOS-X) Extreme Balance of System Hardware Cost Reductions. The DOE identified eight areas within the total BOS costs: 1) installation labor, 2) installation materials, 3) installation overhead and profit, 4) tracker, 5) permitting and commissioning, 6) site preparation, 7) land acquisition, 8) sales tax. The BOS-X funding announcement requested applications in four specific topics: Topic 1: Transformational Building Integrated Photovoltaic (BIPV) Modules Topic 2: Roof and Ground Mount Innovations Topic 3: Transformational Photovoltaic System Designs Topic 4: Development of New Wind Load Codes for PV Systems The application submitted by ARaymond Tinnerman reflected the requirements listed in Topic #2, Roof and Ground Mount Innovations. The goal of topic #2 was to develop technologies that would result in the extreme reduction of material and labor costs associated with applications that require physical connections and attachments to roof and ground mount structures. The topics researched in this project included component cost reduction, labor reduction, weight reduction, wiring innovations, and alternative material utilization. The project objectives included: 1) The development of an innovative quick snap bracket assembly that would be bonded to frameless PV modules for commercial rooftop installations. 2) The development of a composite pultruded rail to replace traditional racking materials. 3) In partnership with a roofing company, pilot the certification of a commercial roof to be solar panel compliant, eliminating the need for structural analysis and government oversight resulting in significantly decreased permitting costs. 4) Reduce the sum of all cost impacts in topic #2 from a baseline total of $2.05/watt to $.34/watt.

  10. Embedded cluster metal-polymeric micro interface and process for producing the same

    DOE Patents [OSTI]

    Menezes, Marlon E. (Santa Clara, CA); Birnbaum, Howard K. (Champaign, IL); Robertson, Ian M. (Champaign, IL)

    2002-01-29

    A micro interface between a polymeric layer and a metal layer includes isolated clusters of metal partially embedded in the polymeric layer. The exposed portion of the clusters is smaller than embedded portions, so that a cross section, taken parallel to the interface, of an exposed portion of an individual cluster is smaller than a cross section, taken parallel to the interface, of an embedded portion of the individual cluster. At least half, but not all of the height of a preferred spherical cluster is embedded. The metal layer is completed by a continuous layer of metal bonded to the exposed portions of the discontinuous clusters. The micro interface is formed by heating a polymeric layer to a temperature, near its glass transition temperature, sufficient to allow penetration of the layer by metal clusters, after isolated clusters have been deposited on the layer at lower temperatures. The layer is recooled after embedding, and a continuous metal layer is deposited upon the polymeric layer to bond with the discontinuous metal clusters.

  11. Photochemical deterioration of the organic/metal contacts in organic optoelectronic devices

    SciTech Connect (OSTI)

    Wang Qi; Williams, Graeme; Aziz, Hany; Tsui Ting

    2012-09-15

    We study the effect of exposure to light on a wide range of organic/metal contacts that are commonly used in organic optoelectronic devices and found that irradiation by light in the visible and UV range results in a gradual deterioration in their electrical properties. This photo-induced contact degradation reduces both charge injection (i.e., from the metal to the organic layer) and charge extraction (i.e., from the organic layer to the metal). X-ray photoelectron spectroscopy (XPS) measurements reveal detectable changes in the interface characteristics after irradiation, indicating that the photo-degradation is chemical in nature. Changes in XPS characteristics after irradiation suggests a possible reduction in bonds associated with organic-metal complexes. Measurements of interfacial adhesion strength using the four-point flexure technique reveal a decrease in organic/metal adhesion in irradiated samples, consistent with a decrease in metal-organic bond density. The results shed the light on a new material degradation mechanism that appears to have a wide presence in organic/metal interfaces in general, and which likely plays a key role in limiting the stability of various organic optoelectronic devices such as organic light emitting devices, organic solar cells, and organic photo-detectors.

  12. Polyacidic multiloading metal extractants 

    E-Print Network [OSTI]

    Gordon, R. J.; Campbell, J.; Henderson, D.K.; Henry, D. C. R.; Swart, R. M.; Tasker, P. A.; White, F. J.; Wood, J. L.; Yellowlees, L. J

    2008-01-01

    Novel polynucleating, di- and tri-acidic ligands have been designed to increase the molar and mass transport efficiencies for the recovery of base metals by solvent extraction.

  13. Surface Modification by Atmospheric Pressure Plasma for Improved Bonding

    E-Print Network [OSTI]

    Williams, Thomas Scott

    2013-01-01

    polymer, composite and metal surfaces for adhesion. This thesis investigates the underlying materials science of this technology.

  14. The Breathing Orbital Valence Bond Method in Diffusion Monte Carlo: C-H Bond Dissociation of Acetylene

    E-Print Network [OSTI]

    Braida, Benoit

    2009-01-01

    Quantum Chem. 2005, (19) Barnett, R. N. ; Sun, Z. ; Lester,In a systematic DMC study, Barnett et al. 19 explored thefor the C-H bond distance. Barnett et al. reported 1-CSF DMC

  15. An Electrically Switchable Metal-Organic Framework

    SciTech Connect (OSTI)

    Fernandez, Carlos A.; Martin, Paul F.; Schaef, Herbert T.; Bowden, Mark E.; Thallapally, Praveen K.; Dang, Liem X.; Xu, Wu; Chen, Xilin; McGrail, B. Peter

    2014-08-19

    Crystalline metal organic framework (MOF) materials containing interconnected porosity can be chemically modified to promote stimulus-driven (light, magnetic or electric fields) structural transformations that can be used in a number of devices. Innovative research strategies are now focused on understanding the role of chemical bond manipulation to reversibly alter the free volume in such structures of critical importance for electro-catalysis, molecular electronics, energy storage technologies, sensor devices and smart membranes. In this letter, we study the mechanism for which an electrically switchable MOF composed of Cu(TCNQ) (TCNQ 5 7,7,8,8-tetracyanoquinodimethane) transitions from a high-resistance state to a conducting state in a reversible fashion by an applied potential. The actual mechanism for this reversible electrical switching is still not understood even though a number of reports are available describing the application of electric-field-induced switching of Cu(TCNQ) in device fabrication.

  16. An Electrically Switchable Metal-Organic Framework

    SciTech Connect (OSTI)

    Fernandez, CA; Martin, PC; Schaef, T; Bowden, ME; Thallapally, PK; Dang, L; Xu, W; Chen, XL; McGrail, BP

    2014-08-19

    Crystalline metal organic framework (MOF) materials containing interconnected porosity can be chemically modified to promote stimulus-driven (light, magnetic or electric fields) structural transformations that can be used in a number of devices. Innovative research strategies are now focused on understanding the role of chemical bond manipulation to reversibly alter the free volume in such structures of critical importance for electro-catalysis, molecular electronics, energy storage technologies, sensor devices and smart membranes. In this letter, we study the mechanism for which an electrically switchable MOF composed of Cu(TCNQ) (TCNQ = 7,7,8,8-tetracyanoquinodimethane) transitions from a high-resistance state to a conducting state in a reversible fashion by an applied potential. The actual mechanism for this reversible electrical switching is still not understood even though a number of reports are available describing the application of electric-field-induced switching of Cu(TCNQ) in device fabrication.

  17. Solid-phase materials for chelating metal ions and methods of making and using same

    DOE Patents [OSTI]

    Harrup, Mason K.; Wey, John E.; Peterson, Eric S.

    2003-06-10

    A solid material for recovering metal ions from aqueous streams, and methods of making and using the solid material, are disclosed. The solid material is made by covalently bonding a chelating agent to a silica-based solid, or in-situ condensing ceramic precursors along with the chelating agent to accomplish the covalent bonding. The chelating agent preferably comprises a oxime type chelating head, preferably a salicylaldoxime-type molecule, with an organic tail covalently bonded to the head. The hydrocarbon tail includes a carbon-carbon double bond, which is instrumental in the step of covalently bonding the tail to the silica-based solid or the in-situ condensation. The invented solid material may be contacted directly with aqueous streams containing metal ions, and is selective to ions such as copper (II) even in the presence of such ions as iron (III) and other materials that are present in earthen materials. The solid material with high selectivity to copper may be used to recover copper from mining and plating industry streams, to replace the costly and toxic solvent extraction steps of conventional copper processing.

  18. Conceptual Design of a MEDE Treatment System for Sodium Bonded Fuel

    SciTech Connect (OSTI)

    Carl E. Baily; Karen A. Moore; Collin J. Knight; Peter B. Wells; Paul J. Petersen; Ali S. Siahpush; Matthew T. Weseman

    2008-05-01

    Unirradiated sodium bonded metal fuel and casting scrap material containing highly enriched uranium (HEU) is stored at the Materials and Fuels Complex (MFC) on the Idaho National Laboratory (INL). This material, which includes intact fuel assemblies and elements from the Fast Flux Test Facility (FFTF) and Experimental Breeder Reactor-II (EBR-II) reactors as well as scrap material from the casting of these fuels, has no current use under the terminated reactor programs for both facilities. The Department of Energy (DOE), under the Sodium-Bonded Spent Nuclear Fuel Treatment Record of Decision (ROD), has determined that this material could be prepared and transferred to an off-site facility for processing and eventual fabrication of fuel for commercial nuclear reactors. A plan is being developed to prepare, package and transfer this material to the DOE High Enriched Uranium Disposition Program Office (HDPO), located at the Y-12 National Security Complex in Oak Ridge, Tennessee. Disposition of the sodium bonded material will require separating the elemental sodium from the metallic uranium fuel. A sodium distillation process known as MEDE (Melt-Drain-Evaporate), will be used for the separation process. The casting scrap material needs to be sorted to remove any foreign material or fines that are not acceptable to the HDPO program. Once all elements have been cut and loaded into baskets, they are then loaded into an evaporation chamber as the first step in the MEDE process. The chamber will be sealed and the pressure reduced to approximately 200 mtorr. The chamber will then be heated as high as 650 şC, causing the sodium to melt and then vaporize. The vapor phase sodium will be driven into an outlet line where it is condensed and drained into a receiver vessel. Once the evaporation operation is complete, the system is de-energized and returned to atmospheric pressure. This paper describes the MEDE process as well as a general overview of the furnace systems, as necessary, to complete the MEDE process.

  19. Metal pad instabilities in liquid metal batteries

    E-Print Network [OSTI]

    Zikanov, Oleg

    2015-01-01

    A mechanical analogy is used to analyze the interaction between the magnetic field, electric current and deformation of interfaces in liquid metal batteries. It is found that, during charging or discharging, a sufficiently large battery is prone to instabilities of two types. One is similar to the metal pad instability known for aluminum reduction cells. Another type is new. It is related to the destabilizing effect of the Lorentz force formed by the azimuthal magnetic field induced by the base current and the current perturbations caused by the local variations of the thickness of the electrolyte layer.

  20. Heavy Metal Humor: Reconsidering Carnival in Heavy Metal Culture 

    E-Print Network [OSTI]

    Powell, Gary Botts

    2013-06-05

    Bakhtin?s carnivalesque theory by analyzing comedic rhetoric performed by two comedic metal bands. Through the theories of Johan Huizinga and Mikhail Bakhtin, Chapter I: I Play Metal argues that heavy metal culture is a modern carnivalesque play...

  1. Metal-Organic Frameworks Based on Main Group Metals

    E-Print Network [OSTI]

    Zhao, Xiang

    2011-01-01

    Based Frameworks with Open Metal Sites In previous work, weClusters Introduction Porous metal-organic frameworks (MOFs)abundant choice of metal ions and clusters, numerous organic

  2. Process for the fabrication of aluminum metallized pyrolytic graphite sputtering targets

    DOE Patents [OSTI]

    Makowiecki, D.M.; Ramsey, P.B.; Juntz, R.S.

    1995-07-04

    An improved method is disclosed for fabricating pyrolytic graphite sputtering targets with superior heat transfer ability, longer life, and maximum energy transmission. Anisotropic pyrolytic graphite is contoured and/or segmented to match the erosion profile of the sputter target and then oriented such that the graphite`s high thermal conductivity planes are in maximum contact with a thermally conductive metal backing. The graphite contact surface is metallized, using high rate physical vapor deposition (HRPVD), with an aluminum coating and the thermally conductive metal backing is joined to the metallized graphite target by one of four low-temperature bonding methods; liquid-metal casting, powder metallurgy compaction, eutectic brazing, and laser welding. 11 figs.

  3. Tuning of noble metal work function with organophosphonate nanolayers

    SciTech Connect (OSTI)

    Ramanath, Ganpati Kwan, Matthew; Chow, P. K.; Quintero, Y. Cardona; Ramprasad, R.; Mutin, P. H.

    2014-08-25

    We demonstrate that weak chemical interactions between untethered moieties in molecular nanolayers on metal surfaces can strongly influence the effective work function ?{sub eff}. Electron spectroscopy shows that nanolayers of mercaptan-anchored organophosphonates on Au and Pt decrease ?{sub eff}. The measured ?{sub eff} shifts correlate with the chemical state of phosphonic acid moieties, and scale with molecular length. These results are contrary to predictions of ab initio calculations of monolayer-capped surfaces, but are consistent with calculations of bilayer-capped surfaces with face-to-face hydrogen-bonded phosphonic acid moieties. Our findings indicate that intra-layer bonding and layering in molecular nanolayers can be key to tailoring heterointerfacial electronic properties for applications.

  4. Metallic nanowire networks

    DOE Patents [OSTI]

    Song, Yujiang; Shelnutt, John A.

    2012-11-06

    A metallic nanowire network synthesized using chemical reduction of a metal ion source by a reducing agent in the presence of a soft template comprising a tubular inverse micellar network. The network of interconnected polycrystalline nanowires has a very high surface-area/volume ratio, which makes it highly suitable for use in catalytic applications.

  5. Porous metallic bodies

    DOE Patents [OSTI]

    Landingham, R.L.

    1984-03-13

    Porous metallic bodies having a substantially uniform pore size of less than about 200 microns and a density of less than about 25 percent theoretical, as well as the method for making them, are disclosed. Group IIA, IIIB, IVB, VB, and rare earth metal hydrides a

  6. Phase transformations during the Ag-In plating and bonding of vertical diode elements of multijunction solar cells

    SciTech Connect (OSTI)

    Klochko, N. P. Khrypunov, G. S.; Volkova, N. D.; Kopach, V. R.; Lyubov, V. N.; Kirichenko, M. V.; Momotenko, A. V.; Kharchenko, N. M.; Nikitin, V. A.

    2013-06-15

    The conditions of the bonding of silicon multijunction solar cells with vertical p-n junctions using Ag-In solder are studied. The compositions of electrodeposited indium films on silicon wafers silver plated by screen printing and silver and indium films fabricated by layer-by-layer electrochemical deposition onto the surface of silicon vertical diode cells silver plated in vacuum are studied. Studying the electrochemical-deposition conditions, structure, and surface morphology of the grown layers showed that guaranteed bonding is provided by 8-min heat treatment at 400 Degree-Sign C under the pressure of a stack of metallized silicon wafers; however, the ratio of the indium and silver layer thicknesses should not exceed 1: 3. As this condition is satisfied, the solder after wafer bonding has the InAg{sub 3} structure (or InAg{sub 3} with an Ag phase admixture), due to which the junction melting point exceeds 700 Degree-Sign C, which guarantees the functioning of such solar cells under concentrated illumination.

  7. The C OH O hydrogen bond: A determinant of stability and specificity

    E-Print Network [OSTI]

    Senes, Alessandro

    recovered by hydro- gen bond formation, so hydrogen bonds provide a small or even unfavorable net energy hydro- gen bond has been unclear and its interaction energy has been believed to be small. Recently that apparent carbon hydro- gen bonds cluster frequently at glycine-, serine-, and threonine-rich packing

  8. Hydrogen Bond Migration between Molecular Sites Observed with Ultrafast 2D IR Chemical Exchange Spectroscopy

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen Bond Migration between Molecular Sites Observed with Ultrafast 2D IR Chemical ExchangeVed: January 12, 2010 Hydrogen-bonded complexes between phenol and phenylacetylene are studied using ultrafast hydrogen bonding acceptor sites (phenyl or acetylene) that compete for hydrogen bond donors in solution

  9. Hydrogen bonding between neon and hydrogen fluoride M. Losonczy and J. W. Moskowitz*

    E-Print Network [OSTI]

    Stillinger, Frank

    Hydrogen bonding between neon and hydrogen fluoride M. Losonczy and J. W. Moskowitz* Chemistry of hydrogen fluoride. The results exhibit formation of a linear hydrogen bond. Although this bond is weak (0.234 kcal!mole), its strength exceeds that found earlier for the neon-water hydrogen bond. I. INTRODUCTION

  10. A new hydrogen-bonding potential for the design of proteinRNA interactions predicts specific

    E-Print Network [OSTI]

    Baker, David

    A new hydrogen-bonding potential for the design of protein­RNA interactions predicts specific-dependent hydrogen-bonding potential based on the statistical analysis of hydrogen-bonding geometries of hydrogen-bonding atom pairs at protein­ nucleic acid interfaces. A scoring function based on the hydrogen

  11. Thermal Performance and Reliability of Bonded Interfaces for Power Electronics Packaging Applications (Presentation)

    SciTech Connect (OSTI)

    Devoto, D.

    2013-07-01

    This presentation discusses the thermal performance and reliability of bonded interfaces for power electronics packaging applications.

  12. Comparison of bond character in hydrocarbons and fullerenes D. W. Snoke

    E-Print Network [OSTI]

    Snoke, David

    Comparison of bond character in hydrocarbons and fullerenes D. W. Snoke Department of Physics a comparison of the bond polarizabilities for carbon-carbon bonds in hydrocarbons and fullerenes, using two and ethylene. We find that the polarizabilities for single bonds in fullerenes and hydrocarbons compare well

  13. Production of magnesium metal

    DOE Patents [OSTI]

    Blencoe, James G. (Harriman, TN) [Harriman, TN; Anovitz, Lawrence M. (Knoxville, TN) [Knoxville, TN; Palmer, Donald A. (Oliver Springs, TN) [Oliver Springs, TN; Beard, James S. (Martinsville, VA) [Martinsville, VA

    2010-02-23

    A process of producing magnesium metal includes providing magnesium carbonate, and reacting the magnesium carbonate to produce a magnesium-containing compound and carbon dioxide. The magnesium-containing compound is reacted to produce magnesium metal. The carbon dioxide is used as a reactant in a second process. In another embodiment of the process, a magnesium silicate is reacted with a caustic material to produce magnesium hydroxide. The magnesium hydroxide is reacted with a source of carbon dioxide to produce magnesium carbonate. The magnesium carbonate is reacted to produce a magnesium-containing compound and carbon dioxide. The magnesium-containing compound is reacted to produce magnesium metal. The invention further relates to a process for production of magnesium metal or a magnesium compound where an external source of carbon dioxide is not used in any of the reactions of the process. The invention also relates to the magnesium metal produced by the processes described herein.

  14. Metallization of electronic insulators

    DOE Patents [OSTI]

    Gottesfeld, Shimshon (Los Alamos, NM); Uribe, Francisco A. (Los Alamos, NM)

    1994-01-01

    An electroplated element is formed to include an insulating substrate, a conducting polymer polymerized in situ on the substrate, and a metal layer deposited on the conducting polymer. In one application a circuit board is formed by polymerizing pyrrole on an epoxy-fiberglass substrate in a single step process and then electrodepositing a metal over the resulting polypyrrole polymer. No chemical deposition of the metal is required prior to electroplating and the resulting layer of substrate-polymer-metal has excellent adhesion characteristics. The metal deposition is surprisingly smooth and uniform over the relatively high resistance film of polypyrrole. A continuous manufacturing process is obtained by filtering the solution between successive substrates to remove polymer formed in the solution, by maintaining the solution oxidizing potential within selected limits, and by adding a strong oxidant, such as KMnO.sub.4 at periodic intervals to maintain a low sheet resistivity in the resulting conducting polymer film.

  15. Effect of hydrogen bond on coal extraction by in-situ vacuum FTIR

    SciTech Connect (OSTI)

    Li, J.; Feng, J.; Li, W.Y.; Chang, H.Z.; Xie, K.C. [Taiyuan University of Technol, Taiyuan (China)

    2009-07-01

    Coal chemical formation environment might result in different properties of hydrogen bonds in coal structure. The thermo stability, amount and types of hydrogen bond in six typical Chinese coal macerals were investigated by in situ vacuum Fourier transform infrared spectroscopy (FTIR). It was found that three types of hydrogen bond were involved in coal structure, which were OH-N, OH self associated, and OH tetrapolymer hydrogen bond. There was no correlation between the amount of three types of hydrogen bonds and extraction yield. The thermo stability of hydrogen bond in inertinite was stronger than that of vitrinite, especially the thermo stability of hydrogen bond in Pingshuo inertinite.

  16. In situ production of ceramic reinforcement in metallic parts by thermal degradation of organometallics

    SciTech Connect (OSTI)

    Shivkumar, S.; Cournoyer, J.; Makhlouf, M. )

    1993-08-15

    The ability to enhance the physical and mechanical properties of metallic components by particulate ceramic reinforcement is well documented. Several methods have been used to incorporate the ceramic particles in the metallic matrix. These methods can be classified into three groups based on the physical state of the metallic phase during processing: (1) liquid phase methods, (2) solid state methods and (3) semi-solid state methods. Liquid phase methods have generated considerable interest because they offer the most economical route for the production of near-net-shape components. In order to realize the full benefits of the ceramic reinforcement, it is imperative that the interfacial bond strength between the ceramic and the metal be maximized. This interfacial bond strength depends to a large extent on the ability of the molten metal to wet the ceramic. It is often difficult to achieve good wetting between molten metals and ceramics because of the large surface tension commonly associated with metals. Several techniques have been used to improve metal/ceramic wetting characteristics. These methods include application of coatings on the ceramic, alloying the metal with reactive elements such as Li, Mg, Ca, Ti or Zr and heat treating the ceramic. A variety of new technologies are also emerging for the in situ production of the reinforcing phase. The in situ production of the ceramic could potentially enhance the wetting characteristics and may probide improved control of the size and level of reinforcement. In this contribution, the feasibility of producing ceramic reinforcements in situ by thermal degradation of a suitable organometallic in a liquid metal bath has been explored.

  17. Metal nanodisks using bicellar templates

    DOE Patents [OSTI]

    Song, Yujiang; Shelnutt, John A

    2013-12-03

    Metallic nanodisks and a method of making them. The metallic nanodisks are wheel-shaped structures that that provide large surface areas for catalytic applications. The metallic nanodisks are grown within bicelles (disk-like micelles) that template the growth of the metal in the form of approximately circular dendritic sheets. The zero-valent metal forming the nanodisks is formed by reduction of a metal ion using a suitable electron donor species.

  18. Preparation of uniform nanoparticles of ultra-high purity metal oxides, mixed metal oxides, metals, and metal alloys

    DOE Patents [OSTI]

    Woodfield, Brian F.; Liu, Shengfeng; Boerio-Goates, Juliana; Liu, Qingyuan; Smith, Stacey Janel

    2012-07-03

    In preferred embodiments, metal nanoparticles, mixed-metal (alloy) nanoparticles, metal oxide nanoparticles and mixed-metal oxide nanoparticles are provided. According to embodiments, the nanoparticles may possess narrow size distributions and high purities. In certain preferred embodiments, methods of preparing metal nanoparticles, mixed-metal nanoparticles, metal oxide nanoparticles and mixed-metal nanoparticles are provided. These methods may provide tight control of particle size, size distribution, and oxidation state. Other preferred embodiments relate to a precursor material that may be used to form nanoparticles. In addition, products prepared from such nanoparticles are disclosed.

  19. Metal-Poor Stars

    E-Print Network [OSTI]

    Anna Frebel

    2008-02-13

    The abundance patterns of metal-poor stars provide us a wealth of chemical information about various stages of the chemical evolution of the Galaxy. In particular, these stars allow us to study the formation and evolution of the elements and the involved nucleosynthesis processes. This knowledge is invaluable for our understanding of the cosmic chemical evolution and the onset of star- and galaxy formation. Metal-poor stars are the local equivalent of the high-redshift Universe, and offer crucial observational constraints on the nature of the first stars. This review presents the history of the first discoveries of metal-poor stars that laid the foundation to this field. Observed abundance trends at the lowest metallicities are described, as well as particular classes of metal-poor stars such as r-process and C-rich stars. Scenarios on the origins of the abundances of metal-poor stars and the application of large samples of metal-poor stars to cosmological questions are discussed.

  20. Intramolecular Hydrogen Bonding in Disubstituted Ethanes. A Comparison of NH,,,O-and OH,,,O-Hydrogen Bonding through Conformational Analysis of 4-Amino-4-oxobutanoate

    E-Print Network [OSTI]

    Goddard III, William A.

    Intramolecular Hydrogen Bonding in Disubstituted Ethanes. A Comparison of NH,,,O- and OH,,,O- Hydrogen Bonding through Conformational Analysis of 4-Amino-4-oxobutanoate (succinamate) and Monohydrogen 1 of amide NH,,,O- and carboxyl OH,,,O- hydrogen bonds were investigated via conformational analysis

  1. Direct examination of cadmium bonding in rat tissues dosed with mine wastes and cadmium-containing solutions

    SciTech Connect (OSTI)

    Diacomanolis, V.; Ng, J. C. [University of Queensland, National Research Centre for Environmental Toxicology, Coopers Plains, QLD, 4008 (Australia); Sadler, R. [School of Public Health, Griffith University, Brisbane, QLD (Australia); Harris, H. H. [School of Chemistry and Physics, University of Adelaide, Adelaide, SA (Australia); Nomura, M. [Photon Factory, Institute of Material Structure Science, Tsukuba (Japan); Noller, B. N. [University of Queensland, Centre For Mined Land Rehabilitation, St Lucia 4072 QLD (Australia)

    2010-06-23

    Direct examination by XANES and EXAFS of metal bonding in tissue can be demonstrated by examining cadmium uptake and bonding in animal tissue maintained at cryogenic temperatures. XANES at the K-edge of cadmium were collected at the Photon Factory Advanced Ring (PF-AR), NW10A beam line at KEK-Tsukuba-Japan. Rats fed with 1g mine waste containing 8-400 mg/kg cadmium per 200g body weight (b.w.) or dosed by oral gavage with either cadmium chloride solution alone (at 6 mg/kg b.w.) or in combination with other salts (As, Cu or Zn), 5 days/week for 6 weeks, had 0.1-7.5 and 8-86 mg/kg cadmium in the liver or kidney, respectively. Rats given intraperitoneally (ip) or intravenously (iv) 1-4 times with 1 mg/kg b.w. cadmium solution had 30-120 mg/kg cadmium in the liver or kidney. Tissues from rats were kept and transferred at cryogenic temperature and XANES were recorded at 20 K. The spectra for rat liver samples suggested conjugation of cadmium with glutathione or association with the sulfide bond (Cd-S) of proteins and peptides. EXAFS of rat liver fed by Cd and Zn solutions showed that Cd was clearly bound to S ligands with an inter-atomic distance of 2.54 A ring for Cd-S that was similar to cadmium sulfide with an inter-atomic distance of 2.52 A ring for Cd-S. Liver or kidney of rats fed with mine wastes did not give an edge in the XANES spectra indicating little uptake of cadmium by the animals. Longer and higher dosing regimen may be required in order to observe the same Cd-S bond in the rat tissue from mine wastes, including confirmation by EXAFS.

  2. Theoretical and kinetic assessment of the mechanism of ethane hydrogenolysis on metal surfaces saturated with chemisorbed hydrogen

    E-Print Network [OSTI]

    Iglesia, Enrique

    Theoretical and kinetic assessment of the mechanism of ethane hydrogenolysis on metal surfaces Hydrogenation Ring opening a b s t r a c t Ethane hydrogenolysis involves C­C bond rupture in unsaturated predominantly via an a,b-bound Ă CHCHĂ species that forms via sequential dehydrogenation of adsorbed ethane; all

  3. Actinide metal processing

    DOE Patents [OSTI]

    Sauer, N.N.; Watkin, J.G.

    1992-03-24

    A process for converting an actinide metal such as thorium, uranium, or plutonium to an actinide oxide material by admixing the actinide metal in an aqueous medium with a hypochlorite as an oxidizing agent for sufficient time to form the actinide oxide material and recovering the actinide oxide material is described together with a low temperature process for preparing an actinide oxide nitrate such as uranyl nitrate. Additionally, a composition of matter comprising the reaction product of uranium metal and sodium hypochlorite is provided, the reaction product being an essentially insoluble uranium oxide material suitable for disposal or long term storage.

  4. Actinide metal processing

    DOE Patents [OSTI]

    Sauer, Nancy N. (Los Alamos, NM); Watkin, John G. (Los Alamos, NM)

    1992-01-01

    A process of converting an actinide metal such as thorium, uranium, or plnium to an actinide oxide material by admixing the actinide metal in an aqueous medium with a hypochlorite as an oxidizing agent for sufficient time to form the actinide oxide material and recovering the actinide oxide material is provided together with a low temperature process of preparing an actinide oxide nitrate such as uranyl nitrte. Additionally, a composition of matter comprising the reaction product of uranium metal and sodium hypochlorite is provided, the reaction product being an essentially insoluble uranium oxide material suitable for disposal or long term storage.

  5. EXELFS of Metallic Glasses

    SciTech Connect (OSTI)

    Ito, Y.; Alamgir, F.M.; Schwarz, R.B.; Jain, H.; Williams, D.B.

    1999-11-30

    The feasibility of using extended energy-loss fine structure (EXELFS) obtained from {approximately}1 nm regions of metallic glasses to study their short-range order has been examined. Ionization edges of the metallic glasses in the electron energy-loss spectrum (EELS) have been obtained from PdNiP bulk metallic glass and Ni{sub 2}P polycrystalline powder in a transmission electron microscope. The complexity of EXELFS analysis of L- and M-ionization edges of heavy elements (Z>22, i.e. Ni and Pd) is addressed by theoretical calculations using an ab initio computer code, and its results are compared with the experimental data.

  6. Transition Metal Switchable Mirror

    ScienceCinema (OSTI)

    None

    2010-01-08

    The switchable-mirrors technology was developed by Tom Richardson and Jonathan Slack of Berkeley Lab's Environmental Energy Technologies Division. By using transition metals rather than the rare earth metals used in the first metal-hydride switchable mirrors, Richardson and Slack were able to lower the cost and simplify the manufacturing process. Energy performance is improved as well, because the new windows can reflect or transmit both visible and infrared light. Besides windows for offices and homes, possible applications include automobile sunroofs, signs and displays, aircraft windows, and spacecraft.

  7. Transition Metal Switchable Mirror

    ScienceCinema (OSTI)

    None

    2013-05-29

    The switchable-mirrors technology was developed by Tom Richardson and Jonathan Slack of Berkeley Lab's Environmental Energy Technologies Division. By using transition metals rather than the rare earth metals used in the first metal-hydride switchable mirrors, Richardson and Slack were able to lower the cost and simplify the manufacturing process. Energy performance is improved as well, because the new windows can reflect or transmit both visible and infrared light. Besides windows for offices and homes, possible applications include automobile sunroofs, signs and displays, aircraft windows, and spacecraft. More information at: http://windows.lbl.gov/materials/chromogenics/default.htm

  8. Transition Metal Switchable Mirror

    SciTech Connect (OSTI)

    2009-08-21

    The switchable-mirrors technology was developed by Tom Richardson and Jonathan Slack of Berkeley Lab's Environmental Energy Technologies Division. By using transition metals rather than the rare earth metals used in the first metal-hydride switchable mirrors, Richardson and Slack were able to lower the cost and simplify the manufacturing process. Energy performance is improved as well, because the new windows can reflect or transmit both visible and infrared light. Besides windows for offices and homes, possible applications include automobile sunroofs, signs and displays, aircraft windows, and spacecraft.

  9. Transition Metal Switchable Mirror

    SciTech Connect (OSTI)

    None

    2009-01-01

    The switchable-mirrors technology was developed by Tom Richardson and Jonathan Slack of Berkeley Lab's Environmental Energy Technologies Division. By using transition metals rather than the rare earth metals used in the first metal-hydride switchable mirrors, Richardson and Slack were able to lower the cost and simplify the manufacturing process. Energy performance is improved as well, because the new windows can reflect or transmit both visible and infrared light. Besides windows for offices and homes, possible applications include automobile sunroofs, signs and displays, aircraft windows, and spacecraft. More information at: http://windows.lbl.gov/materials/chromogenics/default.htm

  10. Liquid metal electric pump

    DOE Patents [OSTI]

    Abbin, J.P.; Andraka, C.E.; Lukens, L.L.; Moreno, J.B.

    1992-01-14

    An electrical pump for pumping liquid metals to high pressures in high temperature environments without the use of magnets or moving mechanical parts. The pump employs a non-porous solid electrolyte membrane, typically ceramic, specific to the liquid metal to be pumped. A DC voltage is applied across the thickness of the membrane causing ions to form and enter the membrane on the electrically positive surface, with the ions being neutralized on the opposite surface. This action provides pumping of the liquid metal from one side of the non-porous solid electrolyte membrane to the other. 3 figs.

  11. Reduced repair capacity of a DNA clustered damage site comprised of 8-oxo-7,8-dihydro-2'-deoxyguanosine and 2-deoxyribonolactone results in an increased mutagenic potential of these lesions

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

    Cunniffe, Siobhan; O’Neill, Peter; Greenberg, Marc M.; Lomax, Martine E.

    2014-04-01

    A signature of ionizing radiation is the induction of DNA clustered damaged sites. Non-double strand break (DSB) clustered damage has been shown to compromise the base excision repair pathway, extending the lifetimes of the lesions within the cluster, compared to isolated lesions. This increases the likelihood the lesions persist to replication and thus increasing the mutagenic potential of the lesions within the cluster. Lesions formed by ionizing radiation include 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxodGuo) and 2-deoxyribonolactone (dL). dL poses an additional challenge to the cell as it is not repaired by the short-patch base excision repair pathway. Here we show recalcitrant dL repairmore »is reflected in mutations observed when DNA containing it and a proximal 8-oxodGuo is replicated in Escherichia coli. 8-oxodGuo in close proximity to dL on the opposing DNA strand results in an enhanced frequency of mutation of the lesions within the cluster and a 20 base sequence flanking the clustered damage site in an E. coli based plasmid assay. In vitro repair of a dL lesion is reduced when compared to the repair of an abasic (AP) site and a tetrahydrofuran (THF), and this is due mainly to a reduction in the activity of polymerase ?, leading to retarded FEN1 and ligase 1 activities. This study has given insights in to the biological effects of clusters containing dL.« less

  12. COMPARISON OF AIR AND DEUTERIUM ON PINCH WELD BOND APPEARANCE

    SciTech Connect (OSTI)

    Korinko, P

    2005-10-11

    The effect that air and deuterium internal atmospheres have on the pinch weld bond quality was evaluated by conducting a scoping study using type 304L stainless steel LF-7 test stems that were fabricated for an associated study. Welds were made under cool, yet nominal conditions to exacerbate the influence of the atmosphere. The bond quality of the welds was directly related to the internal atmosphere with the air atmosphere welds being of lower quality than the deuterium atmosphere welds for nominally identical welding conditions.

  13. Divalent metal nanoparticles

    E-Print Network [OSTI]

    DeVries, Gretchen Anne

    2008-01-01

    Metal nanoparticles hold promise for many scientific and technological applications, such as chemical and biological sensors, vehicles for drug delivery, and subdiffraction limit waveguides. To fabricate such devices, a ...

  14. Production of magnesium metal

    DOE Patents [OSTI]

    Blencoe, James G. (Harriman, TN); Anovitz, Lawrence M. (Knoxville, TN); Palmer, Donald A. (Oliver Springs, TN); Beard, James S. (Martinsville, VA)

    2012-04-10

    A process of producing magnesium metal includes providing magnesium carbonate, and reacting the magnesium carbonate to produce a magnesium-containing compound and carbon dioxide. The magnesium-containing compound is reacted to produce magnesium metal. The carbon dioxide is used as a reactant in a second process. In another embodiment of the process, a magnesium silicate is reacted with a caustic material to produce magnesium hydroxide. The magnesium hydroxide is reacted with a source of carbon dioxide to produce magnesium carbonate. The magnesium carbonate is reacted to produce a magnesium-containing compound and carbon dioxide. The magnesium-containing compound is reacted to produce magnesium metal. The invention also relates to the magnesium metal produced by the processes described herein.

  15. METALS DESIGN HANDBOOK DISCLAIMER

    Office of Scientific and Technical Information (OSTI)

    9 06 Revision 0 METALS DESIGN HANDBOOK DISCLAIMER This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States...

  16. Lithium metal reduction of plutonium oxide to produce plutonium metal

    DOE Patents [OSTI]

    Coops, Melvin S. (Livermore, CA)

    1992-01-01

    A method is described for the chemical reduction of plutonium oxides to plutonium metal by the use of pure lithium metal. Lithium metal is used to reduce plutonium oxide to alpha plutonium metal (alpha-Pu). The lithium oxide by-product is reclaimed by sublimation and converted to the chloride salt, and after electrolysis, is removed as lithium metal. Zinc may be used as a solvent metal to improve thermodynamics of the reduction reaction at lower temperatures. Lithium metal reduction enables plutonium oxide reduction without the production of huge quantities of CaO--CaCl.sub.2 residues normally produced in conventional direct oxide reduction processes.

  17. Molten metal reactors

    DOE Patents [OSTI]

    Bingham, Dennis N; Klingler, Kerry M; Turner, Terry D; Wilding, Bruce M

    2013-11-05

    A molten metal reactor for converting a carbon material and steam into a gas comprising hydrogen, carbon monoxide, and carbon dioxide is disclosed. The reactor includes an interior crucible having a portion contained within an exterior crucible. The interior crucible includes an inlet and an outlet; the outlet leads to the exterior crucible and may comprise a diffuser. The exterior crucible may contain a molten alkaline metal compound. Contained between the exterior crucible and the interior crucible is at least one baffle.

  18. On the conditions for enhanced transport through molecular junctions based on metal centres ligated by pairs of pyridazino-derived ligands

    SciTech Connect (OSTI)

    Ding, Bei; Washington, Victoria; Dunietz, Barry D

    2010-10-10

    Transport properties of a Ni bis-?{sup 2} complex ligated by a pair of bi-pyridazino derivative are considered. This complex provides the opportunity to avoid perpendicular alignment of the ligand ? planes. We study the effects of ?-bonding and of intramolecular hydrogen bonding between the ligands as mediated by the metal centre on electron transport. The complicated effect of the electronic structure equilibration with the electrodes on the transport is discussed. The analysis at the electronic structure level provides guidelines to design a molecular bridge that is based on metal complexation with effective electronic transport.

  19. Time-Resolved XAFS Spectroscopic Studies of B-H and N-H Oxidative Addition to Transition Metal Catalysts Relevant to Hydrogen Storage

    SciTech Connect (OSTI)

    Bitterwolf, Thomas E.

    2014-12-09

    Successful catalytic dehydrogenation of aminoborane, H3NBH3, prompted questions as to the potential role of N-H oxidative addition in the mechanisms of these processes. N-H oxidative addition reactions are rare, and in all cases appear to involve initial dative bonding to the metal by the amine lone pairs followed by transfer of a proton to the basic metal. Aminoborane and its trimethylborane derivative block this mechanism and, in principle, should permit authentic N-H oxidative attrition to occur. Extensive experimental work failed to confirm this hypothesis. In all cases either B-H complexation or oxidative addition of solvent C-H bonds dominate the chemistry.

  20. Electrochemical nitridation of metal surfaces

    DOE Patents [OSTI]

    Wang, Heli; Turner, John A.

    2015-06-30

    Electrochemical nitridation of metals and the produced metals are disclosed. An exemplary method of electrochemical nitridation of metals comprises providing an electrochemical solution at low temperature. The method also comprises providing a three-electrode potentiostat system. The method also comprises stabilizing the three-electrode potentiostat system at open circuit potential. The method also comprises applying a cathodic potential to a metal.

  1. Thermally tolerant multilayer metal membrane

    DOE Patents [OSTI]

    Dye, Robert C. (Los Alamos, NM); Snow, Ronny C. (Los Alamos, NM)

    2001-01-01

    A composite metal membrane including a first metal layer of a Group IVB or Group VB metal sandwiched between two layers of a Group VIIIB metal selected from the group consisting of palladium, platinum, nickel, rhodium, iridium, cobalt, and alloys thereof, and a non-continuous layer of a metal chalcogenide upon one layer of the Group VIIIB metal is disclosed together with a process for the recovery of hydrogen from a gaseous mixture using such a composite membrane and a process for forming such a composite metal membrane.

  2. Enantioselective nickel catalysis : exploiting activated C-H bonds

    E-Print Network [OSTI]

    Bencivenga, Nicholas Ernest

    2012-01-01

    A method for the nickel-catalyzed cross-coupling between benzoxazole and secondary halides was explored. This method was to make use of the activated C-H bond found in benzoxazole at the 2-position to generate the nucleophilic ...

  3. Water inertial reorientation: Hydrogen bond strength and the angular potential

    E-Print Network [OSTI]

    Fayer, Michael D.

    Water inertial reorientation: Hydrogen bond strength and the angular potential David E. Moilanen) The short-time orientational relaxation of water is studied by ultrafast infrared pump-probe spectroscopy with recent molecular dynamics simulations employing the simple point charge-extended water model at room

  4. FULL ARTICLE Bond-selective imaging of deep tissue

    E-Print Network [OSTI]

    Cheng, Ji-Xin

    FULL ARTICLE Bond-selective imaging of deep tissue through the optical window between 1600 and 1850 of Biomedical Engineering, Purdue University, West Lafayette, IN 47907, USA 2 Department of Cellular 2011, accepted 12 November 2011 Published online 29 November 2011 Key words: optical window, deep

  5. WHAT'S GRAPHENE? Mono or few layers of sp2 bonded

    E-Print Network [OSTI]

    Mellor-Crummey, John

    WHAT'S GRAPHENE? · Mono or few layers of sp2 bonded carbon atoms in a honeycomb lattice 105cm2/Vs at RT. 1 Due to its unique transport properties, graphene is suitable for implementation sampling (EOS) timeresolved spectroscopy to optically pump and THz probe exfoliated graphene ribbons (GR

  6. July 18, 2012 Using Qualified Energy Conservation Bonds for Public

    E-Print Network [OSTI]

    energy use by 4.9 percent and saved approximately $4 million, primarily through reduced vehicle fuel use) as a tool that had potential to reduce the barriers to further energy savings in city- owned facilities.4July 18, 2012 Using Qualified Energy Conservation Bonds for Public Building Upgrades: Reducing

  7. A Pact with the Devil Mike Bond and George Danezis

    E-Print Network [OSTI]

    Danezis, George

    be damned." The Tragicall History of D. Faustus -- Christopher Marlowe Computer viruses and their payloads computer), through user education, to sophisticated anti-virus software, which today include full virtualA Pact with the Devil Mike Bond and George Danezis Computer Laboratory, University of Cambridge, 15

  8. Hydrogen Bonding Increases Packing Density in the Protein Interior

    E-Print Network [OSTI]

    Hydrogen Bonding Increases Packing Density in the Protein Interior David Schell,1,2 Jerry Tsai,1 J System Health Science Center, College Station, Texas 77843-1114 ABSTRACT The contribution of hydrogen to the stability, but experimental studies show that bury- ing polar groups, especially those that are hydrogen

  9. Method of preparation of bonded polyimide fuel cell package

    DOE Patents [OSTI]

    Morse, Jeffrey D. (Martinez, CA); Jankowski, Alan (Livermore, CA); Graff, Robert T. (Modesto, CA); Bettencourt, Kerry (Dublin, CA)

    2011-04-26

    Described herein are processes for fabricating microfluidic fuel cell systems with embedded components in which micron-scale features are formed by bonding layers of DuPont Kapton.TM. polyimide laminate. A microfluidic fuel cell system fabricated using this process is also described.

  10. Chemical Shielding Tensors for a Silicon-Carbon Double Bond

    E-Print Network [OSTI]

    Apeloig, Yitzhak

    Chemical Shielding Tensors for a Silicon-Carbon Double Bond Jarrod J. Buffy, Robert West,*, Michael of NMR chemical shielding tensors (CST) have been important in aiding the understanding of the nature shielding tensors have been reported and interpreted for compounds containing SidSi,1 PdP,2 SndSn,3 Cd

  11. Bonded polyimide fuel cell package and method thereof

    SciTech Connect (OSTI)

    Morse, Jeffrey D.; Jankowski, Alan; Graff, Robert T.; Bettencourt, Kerry

    2005-11-01

    Described herein are processes for fabricating microfluidic fuel cell systems with embedded components in which micron-scale features are formed by bonding layers of DuPont Kapton.TM. polyimide laminate. A microfluidic fuel cell system fabricated using this process is also described.

  12. Method of forming and assembly of metal and ceramic parts

    DOE Patents [OSTI]

    Ripley, Edward B

    2014-04-22

    A method of forming and assembling at least two parts together that may be metal, ceramic, or a combination of metal and ceramic parts. Such parts may have different CTE. Individual parts that are formed and sintered from particles leave a network of interconnecting porosity in each sintered part. The separate parts are assembled together and then a fill material is infiltrated into the assembled parts using a method such as capillary action, gravity, and/or pressure. The assembly is then cured to yield a bonded and fully or near-fully dense part that has the desired physical and mechanical properties for the part's intended purpose. Structural strength may be added to the parts by the inclusion of fibrous materials.

  13. Elastic properties of Pu metal and Pu-Ga alloys

    SciTech Connect (OSTI)

    Soderlind, P; Landa, A; Klepeis, J E; Suzuki, Y; Migliori, A

    2010-01-05

    We present elastic properties, theoretical and experimental, of Pu metal and Pu-Ga ({delta}) alloys together with ab initio equilibrium equation-of-state for these systems. For the theoretical treatment we employ density-functional theory in conjunction with spin-orbit coupling and orbital polarization for the metal and coherent-potential approximation for the alloys. Pu and Pu-Ga alloys are also investigated experimentally using resonant ultrasound spectroscopy. We show that orbital correlations become more important proceeding from {alpha} {yields} {beta} {yields} {gamma} plutonium, thus suggesting increasing f-electron correlation (localization). For the {delta}-Pu-Ga alloys we find a softening with larger Ga content, i.e., atomic volume, bulk modulus, and elastic constants, suggest a weakened chemical bonding with addition of Ga. Our measurements confirm qualitatively the theory but uncertainties remain when comparing the model with experiments.

  14. Metal chelate process to remove pollutants from fluids

    DOE Patents [OSTI]

    Chang, S.G.T.

    1994-12-06

    The present invention relates to improved methods using an organic iron chelate to remove pollutants from fluids, such as flue gas. Specifically, the present invention relates to a process to remove NO[sub x] and optionally SO[sub 2] from a fluid using a metal ion (Fe[sup 2+]) chelate wherein the ligand is a dimercapto compound wherein the --SH groups are attached to adjacent carbon atoms (HS--C--C--SH) or (SH--C--CCSH) and contain a polar functional group so that the ligand of DMC chelate is water soluble. Alternatively, the DMC is covalently attached to a water insoluble substrate such as a polymer or resin, e.g., polystyrene. The chelate is regenerated using electroreduction or a chemical additive. The dimercapto compound bonded to a water insoluble substrate is also useful to lower the concentration or remove hazardous metal ions from an aqueous solution. 26 figures.

  15. Polyurethane spray coating of aluminum wire bonds to prevent corrosion and suppress resonant oscillations

    E-Print Network [OSTI]

    Izen, Joseph; The ATLAS collaboration; Kurth, Matthew Glenn

    2015-01-01

    Unencapsulated aluminum wedge wire bonds are common in particle-physics pixel and strip detectors. Industry-favored bulk encapsulation is eschewed due to the range of operating temperatures and radiation. Wire bond failures are a persistent, source of tracking detector failure Unencapsulated bonds are vulnerable to condensation-induced corrosion, particularly when halides are present. Oscillations from periodic Lorenz forces are documented as another source of wire bond failure. Spray application of polyurethane coatings, performance of polyurethane-coated wire bonds after climate chamber exposure, and resonant properties of PU-coated wire bonds and their resistance to periodic Lorenz forces will be described.

  16. Peroxotitanates for Biodelivery of Metals

    SciTech Connect (OSTI)

    Hobbs, David; Elvington, M.

    2009-02-11

    Metal-based drugs are largely undeveloped in pharmacology. One limiting factor is the systemic toxicity of metal-based compounds. A solid-phase, sequestratable delivery agent for local delivery of metals could reduce systemic toxicity, facilitating new drug development in this nascent area. Amorphous peroxotitanates (APT) are ion exchange materials with high affinity for several heavy metal ions, and have been proposed to deliver or sequester metal ions in biological contexts. In the current study, we tested a hypothesis that APT are able to deliver metals or metal compounds to cells. We exposed fibroblasts (L929) or monocytes (THP1) to metal-APT materials for 72 h in vitro, then measured cellular mitochondrial activity (SDH-MTT method) to assess the biological impact of the metal-APT materials vs. metals or APT alone. APT alone did not significantly affect cellular mitochondrial activity, but all metal-APT materials suppressed the mitochondrial activity of fibroblasts (by 30-65% of controls). The concentration of metal-APT materials required to suppress cellular mitochondrial activity was below that required for metals alone, suggesting that simple extracellular release of the metals from the metal-APT materials was not the primary mechanism of mitochondrial suppression. In contrast to fibroblasts, no metal-APT material had a measurable effect on THP1 monocyte mitochondrial activity, despite potent suppression by metals alone. This latter result suggested that 'biodelivery' by metal-APT materials may be cell type-specific. Therefore, it appears that APT are plausible solid phase delivery agents of metals or metal compounds to some types of cells for potential therapeutic effect.

  17. Liquid metal thermal electric converter

    DOE Patents [OSTI]

    Abbin, Joseph P. (Albuquerque, NM); Andraka, Charles E. (Albuquerque, NM); Lukens, Laurance L. (Albuquerque, NM); Moreno, James B. (Albuquerque, NM)

    1989-01-01

    A liquid metal thermal electric converter which converts heat energy to electrical energy. The design of the liquid metal thermal electric converter incorporates a unique configuration which directs the metal fluid pressure to the outside of the tube which results in the structural loads in the tube to be compressive. A liquid metal thermal electric converter refluxing boiler with series connection of tubes and a multiple cell liquid metal thermal electric converter are also provided.

  18. Method for forming metal contacts

    DOE Patents [OSTI]

    Reddington, Erik; Sutter, Thomas C; Bu, Lujia; Cannon, Alexandra; Habas, Susan E; Curtis, Calvin J; Miedaner, Alexander; Ginley, David S; Van Hest, Marinus Franciscus Antonius Maria

    2013-09-17

    Methods of forming metal contacts with metal inks in the manufacture of photovoltaic devices are disclosed. The metal inks are selectively deposited on semiconductor coatings by inkjet and aerosol apparatus. The composite is heated to selective temperatures where the metal inks burn through the coating to form an electrical contact with the semiconductor. Metal layers are then deposited on the electrical contacts by light induced or light assisted plating.

  19. Development of bonded composite doublers for the repair of oil recovery equipment.

    SciTech Connect (OSTI)

    Roach, David W.; Rackow, Kirk A.

    2005-06-01

    An unavoidable by-product of a metallic structure's use is the appearance of crack and corrosion flaws. Economic barriers to the replacement of these structures have created an aging infrastructure and placed even greater demands on efficient and safe repair methods. In the past decade, an advanced composite repair technology has made great strides in commercial aviation use. Extensive testing and analysis, through joint programs between the Sandia Labs FAA Airworthiness Assurance Center and the aviation industry, have proven that composite materials can be used to repair damaged aluminum structure. Successful pilot programs have produced flight performance history to establish the durability of bonded composite patches as a permanent repair on commercial aircraft structures. With this foundation in place, this effort is adapting bonded composite repair technology to civil structures. The use of bonded composite doublers has the potential to correct the difficulties associated with current repair techniques and the ability to be applied where there are no rehabilitation options. It promises to be cost-effective with minimal disruption to the users of the structure. This report concludes a study into the application of composite patches on thick steel structures typically used in mining operations. Extreme fatigue, temperature, erosive, and corrosive environments induce an array of equipment damage. The current weld repair techniques for these structures provide a fatigue life that is inferior to that of the original plate. Subsequent cracking must be revisited on a regular basis. The use of composite doublers, which do not have brittle fracture problems such as those inherent in welds, can help extend the structure's fatigue life and reduce the equipment downtime. Two of the main issues for adapting aircraft composite repairs to civil applications are developing an installation technique for carbon steel and accommodating large repairs on extremely thick structures. This study developed and proved an optimum field installation process using specific mechanical and chemical surface preparation techniques coupled with unique, in-situ heating methods. In addition, a comprehensive performance assessment of composite doubler repairs was completed to establish the viability of this technology for large, steel structures. The factors influencing the durability of composite patches in severe field environments were evaluated along with related laminate design issues.

  20. Metal corrosion in a supercritical carbon dioxide - liquid sodium power cycle.

    SciTech Connect (OSTI)

    Moore, Robert Charles; Conboy, Thomas M.

    2012-02-01

    A liquid sodium cooled fast reactor coupled to a supercritical carbon dioxide Brayton power cycle is a promising combination for the next generation nuclear power production process. For optimum efficiency, a microchannel heat exchanger, constructed by diffusion bonding, can be used for heat transfer from the liquid sodium reactor coolant to the supercritical carbon dioxide. In this work, we have reviewed the literature on corrosion of metals in liquid sodium and carbon dioxide. The main conclusions are (1) pure, dry CO{sub 2} is virtually inert but can be highly corrosive in the presence of even ppm concentrations of water, (2) carburization and decarburization are very significant mechanism for corrosion in liquid sodium especially at high temperature and the mechanism is not well understood, and (3) very little information could be located on corrosion of diffusion bonded metals. Significantly more research is needed in all of these areas.

  1. High-Temperature Zirconia Oxygen Sensor with Sealed Metal/Metal...

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

    High-Temperature Zirconia Oxygen Sensor with Sealed MetalMetal Oxide Internal Reference High-Temperature Zirconia Oxygen Sensor with Sealed MetalMetal Oxide Internal Reference...

  2. Method of adhesion between an oxide layer and a metal layer

    DOE Patents [OSTI]

    Jennison, Dwight R.; Bogicevic, Alexander; Kelber, Jeffry A.; Chambers, Scott A.

    2004-09-14

    A method of controlling the wetting characteristics and increasing the adhesion between a metal and an oxide layer. By introducing a negatively-charged species to the surface of an oxide layer, layer-by-layer growth of metal deposited onto the oxide surface is promoted, increasing the adhesion strength of the metal-oxide interface. The negatively-charged species can either be deposited onto the oxide surface or a compound can be deposited that dissociates on, or reacts with, the surface to form the negatively-charged species. The deposited metal adatoms can thereby bond laterally to the negatively-charged species as well as vertically to the oxide surface as well as react with the negatively charged species, be oxidized, and incorporated on or into the surface of the oxide.

  3. Alkali metal ionization detector

    DOE Patents [OSTI]

    Bauerle, James E. (Plum Borough, PA); Reed, William H. (Monroeville, PA); Berkey, Edgar (Murrysville, PA)

    1978-01-01

    Variations in the conventional filament and collector electrodes of an alkali metal ionization detector, including the substitution of helical electrode configurations for either the conventional wire filament or flat plate collector; or, the substitution of a plurality of discrete filament electrodes providing an in situ capability for transferring from an operationally defective filament electrode to a previously unused filament electrode without removing the alkali metal ionization detector from the monitored environment. In particular, the helical collector arrangement which is coaxially disposed about the filament electrode, i.e. the thermal ionizer, provides an improved collection of positive ions developed by the filament electrode. The helical filament design, on the other hand, provides the advantage of an increased surface area for ionization of alkali metal-bearing species in a monitored gas environment as well as providing a relatively strong electric field for collecting the ions at the collector electrode about which the helical filament electrode is coaxially positioned. Alternatively, both the filament and collector electrodes can be helical. Furthermore, the operation of the conventional alkali metal ionization detector as a leak detector can be simplified as to cost and complexity, by operating the detector at a reduced collector potential while maintaining the sensitivity of the alkali metal ionization detector adequate for the relatively low concentration of alkali vapor and aerosol typically encountered in leak detection applications.

  4. Method for locating metallic nitride inclusions in metallic alloy ingots

    DOE Patents [OSTI]

    White, Jack C. (Albany, OR); Traut, Davis E. (Corvallis, OR); Oden, Laurance L. (Albany, OR); Schmitt, Roman A. (Corvallis, OR)

    1992-01-01

    A method of determining the location and history of metallic nitride and/or oxynitride inclusions in metallic melts. The method includes the steps of labeling metallic nitride and/or oxynitride inclusions by making a coreduced metallic-hafnium sponge from a mixture of hafnium chloride and the chloride of a metal, reducing the mixed chlorides with magnesium, nitriding the hafnium-labeled metallic-hafnium sponge, and seeding the sponge to be melted with hafnium-labeled nitride inclusions. The ingots are neutron activated and the hafnium is located by radiometric means. Hafnium possesses exactly the proper metallurgical and radiochemical properties for this use.

  5. CO2 induced phase transitions in diamine-appended metal–organic frameworks

    SciTech Connect (OSTI)

    Vlaisavljevich, Bess; Odoh, Samuel O.; Schnell, Sondre K.; Dzubak, Allison L.; Lee, Kyuho; Planas, Nora; Neaton, Jeffrey B.; Gagliardi, Laura; Smit, Berend

    2015-01-01

    Using a combination of density functional theory and lattice models, we study the effect of CO2 adsorption in an amine functionalized metal–organic framework. These materials exhibit a step in the adsorption isotherm indicative of a phase change. The pressure at which this step occurs is not only temperature dependent but is also metal center dependent. Likewise, the heats of adsorption vary depending on the metal center. Herein we demonstrate via quantum chemical calculations that the amines should not be considered firmly anchored to the framework and we explore the mechanism for CO2 adsorption. An ammonium carbamate species is formed via the insertion of CO2 into the M–Namine bonds. Furthermore, we translate the quantum chemical results into isotherms using a coarse grained Monte Carlo simulation technique and show that this adsorption mechanism can explain the characteristic step observed in the experimental isotherm while a previously proposed mechanism cannot. Furthermore, metal analogues have been explored and the CO2 binding energies show a strong metal dependence corresponding to the M–Namine bond strength. We show that this difference can be exploited to tune the pressure at which the step in the isotherm occurs. Additionally, the mmen–Ni2(dobpdc) framework shows Langmuir like behavior, and our simulations show how this can be explained by competitive adsorption between the new model and a previously proposed model.

  6. CO2 induced phase transitions in diamine-appended metal–organic frameworks

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

    Vlaisavljevich, Bess; Odoh, Samuel O.; Schnell, Sondre K.; Dzubak, Allison L.; Lee, Kyuho; Planas, Nora; Neaton, Jeffrey B.; Gagliardi, Laura; Smit, Berend

    2015-06-17

    Using a combination of density functional theory and lattice models, we study the effect of CO2 adsorption in an amine functionalized metal–organic framework. These materials exhibit a step in the adsorption isotherm indicative of a phase change. The pressure at which this step occurs is not only temperature dependent but is also metal center dependent. Likewise, the heats of adsorption vary depending on the metal center. Herein we demonstrate via quantum chemical calculations that the amines should not be considered firmly anchored to the framework and we explore the mechanism for CO2 adsorption. An ammonium carbamate species is formed viamore »the insertion of CO2 into the M–Namine bonds. Furthermore, we translate the quantum chemical results into isotherms using a coarse grained Monte Carlo simulation technique and show that this adsorption mechanism can explain the characteristic step observed in the experimental isotherm while a previously proposed mechanism cannot. Furthermore, metal analogues have been explored and the CO2 binding energies show a strong metal dependence corresponding to the M–Namine bond strength. We show that this difference can be exploited to tune the pressure at which the step in the isotherm occurs. Additionally, the mmen–Ni2(dobpdc) framework shows Langmuir like behavior, and our simulations show how this can be explained by competitive adsorption between the new model and a previously proposed model.« less

  7. Metal-optic and Plasmonic Semiconductor-based Nanolasers

    E-Print Network [OSTI]

    Lakhani, Amit

    2012-01-01

    of Metals . . . . . . . . . . . . . . . . . . . . . . .coupled Metal-optic Nanocavities . . . . . . . . . . . . . .dependent quality factors Q metal for good conduc- tors.

  8. Effect of Wafer Bow and Etch Patterns in Direct Wafer Bonding

    E-Print Network [OSTI]

    Spearing, S. Mark

    Direct wafer bonding has been identified as an en-abling technology for microelectromechanical systems (MEMS). As the complexity of devices increase and the bonding of multiple patterned wafers is required, there is a need ...

  9. Plasticity of hydrogen bond networks regulates mechanochemistry of cell adhesion complexes

    E-Print Network [OSTI]

    Chakrabarti, Shaon; Thirumalai, D

    2014-01-01

    Mechanical forces acting on cell adhesion receptor proteins regulate a range of cellular functions by formation and rupture of non-covalent interactions with ligands. Typically, force decreases the lifetimes of intact complexes (slip-bonds), making the discovery that these lifetimes can also be prolonged ("catch-bonds"), a surprise. We created a microscopic analytic theory by incorporating the structures of selectin and integrin receptors into a conceptual framework based on the theory of stochastic equations, which quantitatively explains a wide range of experimental data (including catch-bonds at low forces and slip-bonds at high forces). Catch-bonds arise due to force-induced remodeling of hydrogen bond networks, a finding that also accounts for unbinding in structurally unrelated integrin-fibronectin and actomyosin complexes. For the selectin family, remodeling of hydrogen bond networks drives an allosteric transition resulting in the formation of maximum number of hydrogen bonds determined only by the st...

  10. Chemical Bonding In Amorphous Si Coated-carbon Nanotube As Anodes...

    Office of Scientific and Technical Information (OSTI)

    Chemical Bonding In Amorphous Si Coated-carbon Nanotube As Anodes For Li ion Batteries: A XANES Study Citation Details In-Document Search Title: Chemical Bonding In Amorphous Si...

  11. Structural evolution across the insulator-metal transition in oxygen-deficient BaTiO3-? studied using neutron total scattering and Rietveld analysis

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

    Jeong, I.-K.; Lee, Seunghun; Jeong, Se-Young; Won, C. J.; Hur, N.; Llobet, A.

    2011-08-01

    Oxygen-deficient BaTiO3-? exhibits an insulator-metal transition with increasing ?. We performed neutron total scattering measurements to study structural evolution across an insulator-metal transition in BaTiO3-?. Despite its significant impact on resistivity, slight oxygen reduction (?=0.09) caused only a small disturbance on the local doublet splitting of Ti-O bond. This finding implies that local polarization is well preserved under marginal electric conduction. In the highly oxygen-deficient metallic state (?=0.25), however, doublet splitting of the Ti-O bond became smeared. The smearing of the local Ti-O doublet is complemented with long-range structural analysis and demonstrates that the metallic conduction in the highly oxygen-reducedmore »BaTiO3-? is due to the appearance of nonferroelectric cubic lattice.« less

  12. Structural evolution across the insulator-metal transition in oxygen-deficient BaTiO3-? studied using neutron total scattering and Rietveld analysis

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

    Jeong, I.-K.; Lee, Seunghun; Jeong, Se-Young; Won, C. J.; Hur, N.; Llobet, A.

    2011-08-01

    Oxygen-deficient BaTiO3-? exhibits an insulator-metal transition with increasing ?. We performed neutron total scattering measurements to study structural evolution across an insulator-metal transition in BaTiO3-?. Despite its significant impact on resistivity, slight oxygen reduction (?=0.09) caused only a small disturbance on the local doublet splitting of Ti-O bond. This finding implies that local polarization is well preserved under marginal electric conduction. In the highly oxygen-deficient metallic state (?=0.25), however, doublet splitting of the Ti-O bond became smeared. The smearing of the local Ti-O doublet is complemented with long-range structural analysis and demonstrates that the metallic conduction in the highly oxygen-reduced BaTiO3-? is due to the appearance of nonferroelectric cubic lattice.

  13. Hard metal composition

    DOE Patents [OSTI]

    Sheinberg, Haskell (Los Alamos, NM)

    1986-01-01

    A composition of matter having a Rockwell A hardness of at least 85 is formed from a precursor mixture comprising between 3 and 10 weight percent boron carbide and the remainder a metal mixture comprising from 70 to 90 percent tungsten or molybdenum, with the remainder of the metal mixture comprising nickel and iron or a mixture thereof. The composition has a relatively low density of between 7 to 14 g/cc. The precursor is preferably hot pressed to yield a composition having greater than 100% of theoretical density.

  14. Hard metal composition

    DOE Patents [OSTI]

    Sheinberg, H.

    1983-07-26

    A composition of matter having a Rockwell A hardness of at least 85 is formed from a precursor mixture comprising between 3 and 10 wt % boron carbide and the remainder a metal mixture comprising from 70 to 90% tungsten or molybdenum, with the remainder of the metal mixture comprising nickel and iron or a mixture thereof. The composition has a relatively low density of between 7 and 14 g/cc. The precursor is preferably hot pressed to yield a composition having greater than 100% of theoretical density.

  15. Fast Rotation vs. Metallicity

    E-Print Network [OSTI]

    Ronaldo Levenhagen; Nelson Vani Leister; Juan Zorec; Yves Fremat

    2005-09-07

    Fast rotation seems to be the major factor to trigger the Be phenomenon. Surface fast rotation can be favored by initial formation conditions such as metal abundance. Models of fast rotating atmospheres and evolutionary tracks are used to determine the stellar fundamental parameters of 120 Be stars situated in spatially well-separated regions to imply there is between them some gradient of metallicity. We study the effects of the incidence of this gradient on the nature of the studied stars as fast rotators.

  16. Catalysis Without Precious Metals

    SciTech Connect (OSTI)

    Bullock, R. Morris

    2010-11-01

    Written for chemists in industry and academia, this ready reference and handbook summarizes recent progress in the development of new catalysts that do not require precious metals. The research thus presented points the way to how new catalysts may ultimately supplant the use of precious metals in some types of reactions, while highlighting the remaining challenges. This material is based upon work supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences.

  17. Metal alloy identifier

    DOE Patents [OSTI]

    Riley, William D. (Avondale, MD); Brown, Jr., Robert D. (Avondale, MD)

    1987-01-01

    To identify the composition of a metal alloy, sparks generated from the alloy are optically observed and spectrographically analyzed. The spectrographic data, in the form of a full-spectrum plot of intensity versus wavelength, provide the "signature" of the metal alloy. This signature can be compared with similar plots for alloys of known composition to establish the unknown composition by a positive match with a known alloy. An alternative method is to form intensity ratios for pairs of predetermined wavelengths within the observed spectrum and to then compare the values of such ratios with similar values for known alloy compositions, thereby to positively identify the unknown alloy composition.

  18. Dispersed metal cluster catalysts by design. Synthesis, characterization, structure, and performance

    SciTech Connect (OSTI)

    Arslan, Ilke; Dixon, David A.; Gates, Bruce C.; Katz, Alexander

    2015-09-30

    To understand the class of metal cluster catalysts better and to lay a foundation for the prediction of properties leading to improved catalysts, we have synthesized metal catalysts with well-defined structures and varied the cluster structures and compositions systematically—including the ligands bonded to the metals. These ligands include supports and bulky organics that are being tuned to control both the electron transfer to or from the metal and the accessibility of reactants to influence catalytic properties. We have developed novel syntheses to prepare these well-defined catalysts with atomic-scale control the environment by choice and placement of ligands and applied state-of-the art spectroscopic, microscopic, and computational methods to determine their structures, reactivities, and catalytic properties. The ligands range from nearly flat MgO surfaces to enveloping zeolites to bulky calixarenes to provide controlled coverages of the metal clusters, while also enforcing unprecedented degrees of coordinative unsaturation at the metal site—thereby facilitating bonding and catalysis events at exposed metal atoms. With this wide range of ligand properties and our arsenal of characterization tools, we worked to achieve a deep, fundamental understanding of how to synthesize robust supported and ligand-modified metal clusters with controlled catalytic properties, thereby bridging the gap between active site structure and function in unsupported and supported metal catalysts. We used methods of organometallic and inorganic chemistry combined with surface chemistry for the precise synthesis of metal clusters and nanoparticles, characterizing them at various stages of preparation and under various conditions (including catalytic reaction conditions) and determining their structures and reactivities and how their catalytic properties depend on their compositions and structures. Key characterization methods included IR, NMR, and EXAFS spectroscopies to identify ligands on the metals and their reactions; EXAFS spectroscopy and high-resolution STEM to determine cluster framework structures and changes resulting from reactant treatment and locations of metal atoms on support surfaces; X-ray diffraction crystallography to determine full structures of cluster-ligand combinations in the absence of a support, and TEM with tomographic methods to observe individual metal atoms and determine three-dimensional structures of catalysts. Electronic structure calculations were used to verify and interpret spectra and extend the understanding of reactivity beyond what is measurable experimentally.

  19. Performance and Reliability of Bonded Interfaces for High-Temperature Packaging (Presentation)

    SciTech Connect (OSTI)

    Devoto, D.

    2014-06-01

    This presentation reviews the status of the performance and reliability of bonded interfaces for high-temperature packaging.

  20. The Optimal Payment Reduction Ratios for a Catastrophe Bond Xiaoli Zhang

    E-Print Network [OSTI]

    Brennand, Tracy

    and the future bond payments are reduced. This projects first presents a general pricing formula for a CAT bond losses. Last, it shows how strike price, maturity, parameters of the catastrophe loss process List of Tables ix List of Figures x 1 Introduction 1 1.1 Introduction to catastrophe bond

  1. Bonding is carried out by building up Quartz Wax on the sample holder to

    E-Print Network [OSTI]

    Smith, Tanya M.

    Bonding is carried out by building up Quartz Wax on the sample holder to support and bond the tooth that the Quartz Wax should cover as much of the sample face as possible to ensure a strong bond. Application Note Tooth Wax layer Figure 1 Sample holder Tooth Thin Section #12;B. Cutting - SIngle Selection Figure 2

  2. PlasticPDMS bonding for high pressure hydrolytically stable active microfluidics

    E-Print Network [OSTI]

    Ram, Rajeev J.

    to plastics. Plastics can be manufactured using mass fabrication technologies such as injection molding with established plastic mass fabri- cation technologies. Bonding technologies Bonding between PDMS and plasticsPlastic­PDMS bonding for high pressure hydrolytically stable active microfluidics Kevin S. Lee

  3. The Hydrogen Bonding of Cytosinewith Guanine:Calorimetric and`H-NMR Analysis

    E-Print Network [OSTI]

    Williams, Loren

    The Hydrogen Bonding of Cytosinewith Guanine:Calorimetric and`H-NMR Analysis of the Molecular of hydrogen-bondformation between guanine (G) and cytusine (C) in o-dichloro- benzene and in chloroformat 25°C forming hydrogen bonds. Consequently, hydrogen-bond formation in our system is primarily between the bases

  4. Hydrogen Bond Dissociation and Reformation in Methanol Oligomers Following Hydroxyl Stretch Relaxation

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen Bond Dissociation and Reformation in Methanol Oligomers Following Hydroxyl Stretch, 2002 Vibrational relaxation and hydrogen bond dynamics in methanol-d dissolved in CCl4 have been-d molecules both accepting and donating hydrogen bonds at 2500 cm-1 . Following vibrational relaxation

  5. Hydrogen bond breaking probed with multidimensional stimulated vibrational echo correlation spectroscopy

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen bond breaking probed with multidimensional stimulated vibrational echo correlation September 2003 Hydrogen bond population dynamics are extricated with exceptional detail using ultrafast ( 50 of methanol­OD oligomers in CCl4 . Hydrogen bond breaking makes it possible to acquire data for times much

  6. Hydrogen bond dynamics in membrane protein function Ana-Nicoleta Bondar a,

    E-Print Network [OSTI]

    White, Stephen

    Review Hydrogen bond dynamics in membrane protein function Ana-Nicoleta Bondar a, , Stephen H 30 November 2011 Available online 8 December 2011 Keywords: Membrane protein structure Hydrogen bond Membrane protein dynamics Lipid­protein interactions Changes in inter-helical hydrogen bonding

  7. Hydrogen bond dynamics in the active site of photoactive yellow protein

    E-Print Network [OSTI]

    Herschlag, Dan

    Hydrogen bond dynamics in the active site of photoactive yellow protein Paul A. Sigala, Mark A for review February 5, 2009) Hydrogen bonds play major roles in biological structure and function. Nonetheless, hydrogen-bonded protons are not typically observed by X-ray crystallography, and most structural

  8. Hydrogen bonding in solid ammonia from ab initio calculations A. D. Fortes,a)

    E-Print Network [OSTI]

    Vocadlo, Lidunka

    Hydrogen bonding in solid ammonia from ab initio calculations A. D. Fortes,a) J. P. Brodholt, I. G the tendency toward symmetrization of the hydrogen bonds at high pressures and find that, unlike pure ice that ammonia IV does not contain a bifurcated hydrogen bond, as has previously been suggested. © 2003 American

  9. Hydrogen bond dynamics in aqueous NaBr solutions Sungnam Park

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen bond dynamics in aqueous NaBr solutions Sungnam Park and M. D. Fayer§ Department. D. Fayer, August 19, 2007 (sent for review July 27, 2007) Hydrogen bond dynamics of water in Na pump­probe experiments. The hydrogen bond structural dynamics are observed by measuring spectral

  10. A CH O Hydrogen Bond Stabilized Polypeptide Chain Reversal Motif at the C Terminus of Helices

    E-Print Network [OSTI]

    Babu, M. Madan

    A C­H· · ·O Hydrogen Bond Stabilized Polypeptide Chain Reversal Motif at the C Terminus of Helices of Science Bangalore 560012, India The serendipitous observation of a C­H· · ·O hydrogen bond mediated­N hydrogen bond involving the side- chain of residue T 2 4 and the N­H group of residue T ţ 3. In as many

  11. Native Hydrogen Bonds in a Molten Globule: The Apoflavodoxin Thermal Intermediate

    E-Print Network [OSTI]

    Sancho, Javier

    Native Hydrogen Bonds in a Molten Globule: The Apoflavodoxin Thermal Intermediate MarőÂa P. IruÂn1 in surface- exposed hydrogen bonds connecting secondary-structure elements in the native protein. All hydrogen bonds analysed are formed in the molten globule intermediate, either with native strength

  12. Bond Price Volatility c2012 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 75

    E-Print Network [OSTI]

    Lyuu, Yuh-Dauh

    Bond Price Volatility c2012 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 75 #12;"Well Taiwan University Page 76 #12;Price Volatility · Volatility measures how bond prices respond to interest-coupon bonds here. c2012 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 77 #12;Price Volatility

  13. Bond Price Volatility c 2008 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 71

    E-Print Network [OSTI]

    Lyuu, Yuh-Dauh

    Bond Price Volatility c 2008 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 71 #12;"Well Taiwan University Page 72 #12;Price Volatility · Volatility measures how bond prices respond to interest-coupon bonds throughout. c 2008 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 73 #12;Price Volatility

  14. Bond Price Volatility c 2011 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 74

    E-Print Network [OSTI]

    Lyuu, Yuh-Dauh

    Bond Price Volatility c 2011 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 74 #12;"Well Taiwan University Page 75 #12;Price Volatility · Volatility measures how bond prices respond to interest-coupon bonds throughout. c 2011 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 76 #12;Price Volatility

  15. Stoichiometric Valence and Structural Valence--Two Different Sides of the Same Coin: "Bonding Power"

    E-Print Network [OSTI]

    Wang, Xiqu

    concept is one of the cornerstones of chemistry. Valence,[1] that is, the bonding power of atoms,[2 affects the structure and stability of compounds. Therefore, knowledge of atomic bonding power is not only is equivalent to three moles of hydrogen. The property of an atom to compensate the bonding power of an equiva

  16. Can the Bond Price Reaction to Earnings Announcements Predict Future Stock Returns?

    E-Print Network [OSTI]

    Tipple, Brett

    Can the Bond Price Reaction to Earnings Announcements Predict Future Stock Returns? Omri Even. #12;Abstract In this paper I show that the bond price reaction to earnings announcements has. By demonstrating that a firm's bond price reaction to an earnings announcement can predict future stock returns

  17. From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia

    E-Print Network [OSTI]

    Martin, Jan M.L.

    energies of this nonlinear hydrogen bond. We present a novel density functional, HCTH/407 , which leads to two equivalent ``hydrogen bonding contacts,'' is extremely close in energy on an overall flatFrom ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding

  18. High Activity of Ce1-xNixO2-y for H2 Production through Ethanol Steam Reforming: Tuning Catalytic Performance through Metal-Oxide Interactions

    SciTech Connect (OSTI)

    G Zhou; L Barrio; S Agnoli; S Senanayake; J Evans; A Kubacka; M Estrella; J Hanson; A Martinez-Arias; et al.

    2011-12-31

    The importance of the oxide: Ce{sub 0.8}Ni{sub 0.2}O{sub 2-y} is an excellent catalyst for ethanol steam reforming. Metal-oxide interactions perturb the electronic properties of the small particles of metallic nickel present in the catalyst under the reaction conditions and thus suppress any methanation activity. The nickel embedded in ceria induces the formation of O vacancies, which facilitate cleavage of the OH bonds in ethanol and water.

  19. Wafer bonded virtual substrate and method for forming the same

    DOE Patents [OSTI]

    Atwater, Jr., Harry A. (So. Pasadena, CA); Zahler, James M. (Pasadena, CA); Morral, Anna Fontcuberta i (Paris, FR)

    2007-07-03

    A method of forming a virtual substrate comprised of an optoelectronic device substrate and handle substrate comprises the steps of initiating bonding of the device substrate to the handle substrate, improving or increasing the mechanical strength of the device and handle substrates, and thinning the device substrate to leave a single-crystal film on the virtual substrate such as by exfoliation of a device film from the device substrate. The handle substrate is typically Si or other inexpensive common substrate material, while the optoelectronic device substrate is formed of more expensive and specialized electro-optic material. Using the methodology of the invention a wide variety of thin film electro-optic materials of high quality can be bonded to inexpensive substrates which serve as the mechanical support for an optoelectronic device layer fabricated in the thin film electro-optic material.

  20. Characterization of Fuel-Cladding Bond Strength Using Laser Shock

    SciTech Connect (OSTI)

    James A. Smith; David L. Cottle; Barry H. Rabin

    2014-04-01

    This paper describes new laser-based capabilities for characterization of fuel-cladding bond strength in nuclear fuels, and presents preliminary results obtained from studies on as-fabricated monolithic fuel consisting of uranium-10 wt.% molybdenum alloys clad in 6061 aluminum by hot isostatic pressing. Two complementary experimental methods are employed, laser-shock testing and laser-ultrasonic imaging. Measurements are spatially localized, non-contacting and require minimum specimen preparation, and are therefore ideally suited for applications involving radioactive materials, including irradiated materials. The theoretical principles and experimental approaches employed in characterization of nuclear fuel plates are described. The ability to measure layer thicknesses, elastic properties of the constituents, and the location and nature of laser-shock induced debonds is demonstrated, and preliminary bond strength measurement results are discussed.

  1. Membrane adhesion via competing receptor/ligand bonds

    E-Print Network [OSTI]

    Mesfin Asfaw; Bartosz Rozycki; Reinhard Lipowsky; Thomas R. Weikl

    2006-10-01

    The adhesion of biological membranes is controlled by various types of receptor and ligand molecules. In this letter, we present a statistical-mechanical model for membranes that interact via receptor/ligand bonds of two different lengths. We show that the equilibrium phase behavior of the membranes is governed by an effective double-well potential. The depths of the two potential wells depend on the concentrations and binding energies of the receptors and ligands. The membranes are unbound for small, and bound for larger potential depths. In the bound state, the length mismatch of the receptor/ligand bonds can lead to lateral phase separation. We derive explicit scaling laws for the critical points of unbinding and phase separation, and determine the prefactors by comparison with Monte Carlo results.

  2. Effect of nuclear ownership on utility bond ratings and yields

    SciTech Connect (OSTI)

    Nesse, R.J.

    1982-02-01

    The major objective of this study was to test the hypothesis that investors have required an additional interest rate premium before purchasing bonds of utilities with large investments in nuclear facilities. The study required several tasks. First, the literature relating to firm bankruptcy and default was reviewed. Second, the failing financial health of the electric utility industry was assessed in terms of construction problems, the impact of federal and state regulations, and the impact of Three Mile Island. Finally, data were collected on 63 electric utilities. This allowed statistical estimation of the magnitude of the risk premium associated with utility involvement in nuclear power. The effect of this involvement on a utility's bond ratings was also examined. Multiple regression was the statistical tool used for the statistical testing and estimation.

  3. Deconfinement of electric charges in hydrogen-bonded ferroelectrics

    E-Print Network [OSTI]

    Bo-Jie Huang; Chyh-Hong Chern

    2015-04-15

    In addition to the gauge charges, a new charge degree of freedom is found in the deconfined phase in the lattice Ising gauge theory. While applying to the hydrogen-bonded ferroelectrics, the new charge is essentially the electric charge, leading to the divergent dielectric susceptibility. The new degree of freedom paves an experimentally accessible way to identify the deconfined phase in the lattice Ising gauge theory.

  4. Fluorinated diamond particles bonded in a filled fluorocarbon resin matrix

    DOE Patents [OSTI]

    Taylor, Gene W. (Los Alamos, NM); Roybal, Herman E. (Santa Fe, NM)

    1985-01-01

    A method of producing fluorinated diamond particles bonded in a filled fluorocarbon resin matrix. Simple hot pressing techniques permit the formation of such matrices from which diamond impregnated grinding tools and other articles of manufacture can be produced. Teflon fluorocarbon resins filled with Al.sub.2 O.sub.3 yield grinding tools with substantially improved work-to-wear ratios over grinding wheels known in the art.

  5. Oxford Area Community School District (Michigan) Bonds Case Study

    Broader source: Energy.gov [DOE]

    Michigan’s Oxford Area Community School District entered into an energy savings performance contract and issued limited tax general obligation bonds to fund the up-front costs of almost $3 million of energy-related improvements. Case study is excerpted from Financing Energy Upgrades for K-12 School Districts: A Guide to Tapping into Funding for Energy Efficiency and Renewable Energy Improvements. Author: Merrian Borgeson and Mark Zimring

  6. Fluorinated diamond particles bonded in a filled fluorocarbon resin matrix

    DOE Patents [OSTI]

    Taylor, G.W.; Roybal, H.E.

    1983-11-14

    A method of producing fluorinated diamond particles bonded in a filled fluorocarbon resin matrix. Simple hot pressing techniques permit the formation of such matrices from which diamond impregnated grinding tools and other articles of manufacture can be produced. Teflon fluorocarbon resins filled with Al/sub 2/O/sub 3/ yield grinding tools with substantially improved work-to-wear ratios over grinding wheels known in the art.

  7. Quantum Confinement in Hydrogen Bond of DNA and RNA

    E-Print Network [OSTI]

    da Silva dos Santos; Elso Drigo Filho; Regina Maria Ricotta

    2015-02-09

    The hydrogen bond is a fundamental ingredient to stabilize the DNA and RNA macromolecules. The main contribution of this work is to describe quantitatively this interaction as a consequence of the quantum confinement of the hydrogen. The results for the free and confined system are compared with experimental data. The formalism to compute the energy gap of the vibration motion used to identify the spectrum lines is the Variational Method allied to Supersymmetric Quantum Mechanics.

  8. Quantum Confinement in Hydrogen Bond of DNA and RNA

    E-Print Network [OSTI]

    Santos, da Silva dos; Ricotta, Regina Maria

    2015-01-01

    The hydrogen bond is a fundamental ingredient to stabilize the DNA and RNA macromolecules. The main contribution of this work is to describe quantitatively this interaction as a consequence of the quantum confinement of the hydrogen. The results for the free and confined system are compared with experimental data. The formalism to compute the energy gap of the vibration motion used to identify the spectrum lines is the Variational Method allied to Supersymmetric Quantum Mechanics.

  9. Compacting Plastic-Bonded Explosive Molding Powders to Dense Solids

    SciTech Connect (OSTI)

    B. Olinger

    2005-04-15

    Dense solid high explosives are made by compacting plastic-bonded explosive molding powders with high pressures and temperatures for extended periods of time. The density is influenced by manufacturing processes of the powders, compaction temperature, the magnitude of compaction pressure, pressure duration, and number of repeated applications of pressure. The internal density variation of compacted explosives depends on method of compaction and the material being compacted.

  10. Fabricated Metals (2010 MECS) | Department of Energy

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

    Fabricated Metals (2010 MECS) Fabricated Metals (2010 MECS) Manufacturing Energy and Carbon Footprint for Fabricated Metals Sector (NAICS 332) Energy use data source: 2010 EIA MECS...

  11. Locating experiential richness in doom metal

    E-Print Network [OSTI]

    Piper, Jonathan

    2013-01-01

    as Trouble) (1984), Metal Blade. Witchfinder General.Death Penalty (1982), Heavy Metal Records.the Balinese Death/ Thrash Metal Scene. ” Popular Music 22,

  12. Shaping metal nanocrystals through epitaxial seeded growth

    E-Print Network [OSTI]

    Habas, Susan E.; Lee, Hyunjoo; Radmilovic, Velimir; Somorjai, Gabor A.; Yang, Peidong

    2008-01-01

    Structural Evolution in Metal Oxide/Semiconductor Colloidalasymmetric one-sided metal-tipped semiconductor nanocrystalGrowth of Magnetic-Metal- Functionalized Semiconductor Oxide

  13. Synthesis, structure, and bonding in K12Au21Sn4. A polar intermetallic compound with dense Au20 and open AuSn4 layers

    SciTech Connect (OSTI)

    Li, Bin; Kim, Sung-Jin; Miller, Gordon J.; and Corbett, John D.

    2009-10-29

    The new phase K{sub 12}Au{sub 21}Sn{sub 4} has been synthesized by direct reaction of the elements at elevated temperatures. Single crystal X-ray diffraction established its orthorhombic structure, space group Pmmn (No. 59), a = 12.162(2); b = 18.058(4); c = 8.657(2) {angstrom}, V = 1901.3(7) {angstrom}{sup 3}, and Z = 2. The structure consists of infinite puckered sheets of vertex-sharing gold tetrahedra (Au{sub 20}) that are tied together by thin layers of alternating four-bonded-Sn and -Au atoms (AuSn{sub 4}). Remarkably, the dense but electron-poorer blocks of Au tetrahedra coexist with more open and saturated Au-Sn layers, which are fragments of a zinc blende type structure that maximize tetrahedral heteroatomic bonding outside of the network of gold tetrahedra. LMTO band structure calculations reveal metallic properties and a pseudogap at 256 valence electrons per formula unit, only three electrons fewer than in the title compound and at a point at which strong Au-Sn bonding is optimized. Additionally, the tight coordination of the Au framework atoms by K plays an important bonding role: each Au tetrahedra has 10 K neighbors and each K atom has 8-12 Au contacts. The appreciably different role of the p element Sn in this structure from that in the triel members in K{sub 3}Au{sub 5}In and Rb{sub 2}Au{sub 3}Tl appears to arise from its higher electron count which leads to better p-bonding (valence electron concentrations = 1.32 versus 1.22).

  14. Metal working lubricant compositions

    SciTech Connect (OSTI)

    Andress, H.J.; Davis, R.H.; Schick, J.W.

    1981-08-11

    A lubricant concentrate for use in metal processing comprises a sulfur compound such as a sulfurized olefin or sulfurized mineral oil and an ester prepared from a fatty acid having 12 to 40 carbon atoms or the dimer thereof or a polyalkenylsuccinic acid or anhydride and a hydroxyl-containing amine.

  15. Ductile transplutonium metal alloys

    DOE Patents [OSTI]

    Conner, William V. (Boulder, CO)

    1983-01-01

    Alloys of Ce with transplutonium metals such as Am, Cm, Bk and Cf have properties making them highly suitable as sources of the transplutonium element, e.g., for use in radiation detector technology or as radiation sources. The alloys are ductile, homogeneous, easy to prepare and have a fairly high density.

  16. Ductile transplutonium metal alloys

    DOE Patents [OSTI]

    Conner, W.V.

    1981-10-09

    Alloys of Ce with transplutonium metals such as Am, Cm, Bk and Cf have properties making them highly suitable as souces of the transplutonium element, e.g., for use in radiation detector technology or as radiation sources. The alloys are ductile, homogeneous, easy to prepare and have a fairly high density.

  17. The erosion of metals

    E-Print Network [OSTI]

    Andrews, David Richard

    1980-10-21

    The study of the erosion of metallic surfaces by solid particles has been an area of dispute recently (1980) especially concerning the importance of target melting as a mechanism for the removal of material. In addition, erosion by particles at a...

  18. Fragmentation and depolymerization of non-covalently bonded filaments

    E-Print Network [OSTI]

    A. Zaccone; I. Terentjev; L. DiMichele; E. M. Terentjev

    2015-03-22

    Protein molecules often self-assemble by means of non-covalent physical bonds to form extended filaments, such as amyloids, F-actin, intermediate filaments, and many others. The kinetics of filament growth is limited by the disassembly rate, at which inter-protein bonds break due to the thermal motion. Existing models often assume that the thermal dissociation of subunits occurs uniformly along the filament, or even preferentially in the middle, while the well-known propensity of F-actin to depolymerize from one end is mediated by biochemical factors. Here, we show for a very general (and generic) model, using Brownian dynamics simulations and theory, that the breakup location along the filament is strongly controlled by the asymmetry of the binding force about the minimum, as well as by the bending stiffness of the filament. We provide the basic connection between the features of the interaction potential between subunits and the breakup topology. With central-force (that is, fully flexible) bonds, the breakup rate is always maximum in the middle of the chain, whereas for semiflexible or stiff filaments this rate is either a minimum in the middle or flat. The emerging framework provides a unifying understanding of biopolymer fragmentation and depolymerization and recovers earlier results in its different limits.

  19. Effect of hydrogen bond cooperativity on the behavior of water

    E-Print Network [OSTI]

    Kevin Stokely; Marco G. Mazza; H. Eugene Stanley; Giancarlo Franzese

    2009-08-27

    Four scenarios have been proposed for the low--temperature phase behavior of liquid water, each predicting different thermodynamics. The physical mechanism which leads to each is debated. Moreover, it is still unclear which of the scenarios best describes water, as there is no definitive experimental test. Here we address both open issues within the framework of a microscopic cell model by performing a study combining mean field calculations and Monte Carlo simulations. We show that a common physical mechanism underlies each of the four scenarios, and that two key physical quantities determine which of the four scenarios describes water: (i) the strength of the directional component of the hydrogen bond and (ii) the strength of the cooperative component of the hydrogen bond. The four scenarios may be mapped in the space of these two quantities. We argue that our conclusions are model-independent. Using estimates from experimental data for H bond properties the model predicts that the low-temperature phase diagram of water exhibits a liquid--liquid critical point at positive pressure.

  20. Vacuum fusion bonded glass plates having microstructures thereon

    DOE Patents [OSTI]

    Swierkowski, Steve P. (Livermore, CA); Davidson, James C. (Livermore, CA); Balch, Joseph W. (Livermore, CA)

    2001-01-01

    An improved apparatus and method for vacuum fusion bonding of large, patterned glass plates. One or both glass plates are patterned with etched features such as microstructure capillaries and a vacuum pumpout moat, with one plate having at least one hole therethrough for communication with a vacuum pumpout fixture. High accuracy alignment of the plates is accomplished by a temporary clamping fixture until the start of the fusion bonding heat cycle. A complete, void-free fusion bond of seamless, full-strength quality is obtained through the plates; because the glass is heated well into its softening point and because of a large, distributed force that is developed that presses the two plates together from the difference in pressure between the furnace ambient (high pressure) and the channeling and microstructures in the plates (low pressure) due to the vacuum drawn. The apparatus and method may be used to fabricate microcapillary arrays for chemical electrophoresis; for example, any apparatus using a network of microfluidic channels embedded between plates of glass or similar moderate melting point substrates with a gradual softening point curve, or for assembly of glass-based substrates onto larger substrates, such as in flat panel display systems.

  1. Low-Cost Direct Bonded Aluminum (DBA) Substrates

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

    for mass production and that produces high adhesive strength of the ceramic-metal interfaces. Consider the fabrication and use of low-cost AlN as a potential (and...

  2. Method of producing adherent metal oxide coatings on metallic surfaces

    DOE Patents [OSTI]

    Lane, Michael H. (Clifton Park, NY); Varrin, Jr., Robert D. (McLean, VA)

    2001-01-01

    Provided is a process of producing an adherent synthetic corrosion product (sludge) coating on metallic surfaces. The method involves a chemical reaction between a dry solid powder mixture of at least one reactive metal oxide with orthophosphoric acid to produce a coating in which the particles are bound together and the matrix is adherent to the metallic surface.

  3. Formation of chemically bonded ceramics with magnesium dihydrogen phosphate binder

    DOE Patents [OSTI]

    Wagh, Arun S.; Jeong, Seung-Young

    2004-08-17

    A new method for combining magnesium oxide, MgO, and magnesium dihydrogen phosphate to form an inexpensive compactible ceramic to stabilize very low solubility metal oxides, ashes, swarfs, and other iron or metal-based additives, to create products and waste forms which can be poured or dye cast, and to reinforce and strengthen the ceramics formed by the addition of fibers to the initial ceramic mixture.

  4. Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy

    SciTech Connect (OSTI)

    Guo, Zhiyong; Kobayashi, Takeshi; Wang, Lin-Lin; Goh, Tian Wei; Xiao, Chaoxian; Caporini, Marc A; Rosay, Melanie; Johnson, Duane D; Pruski, Marek; Huang, Wenyu

    2014-10-08

    The host–guest interaction between metal ions (Pt2+ and Cu2+) and a zirconium metal–organic framework (UiO-66-NH2) was explored using dynamic nuclear polarization-enhanced 15N{1H} CPMAS NMR spectroscopy supported by X-ray absorption spectroscopy and density functional calculations. The combined experimental results conclude that each Pt2+ coordinates with two NH2 groups from the MOF and two Cl? from the metal precursor, whereas Cu2+ do not form chemical bonds with the NH2 groups of the MOF framework. Density functional calculations reveal that Pt2+ prefers a square-planar structure with the four ligands and resides in the octahedral cage of the MOF in either cis or trans configurations.

  5. Ternary Electrocatalysts for Oxidizing Ethanol to Carbon Dioxide: Making Ir Capable of Splitting C-C bond

    SciTech Connect (OSTI)

    Li, Meng; Cullen, David A; Sasaki, Kotaro; Marinkovic, N.; More, Karren Leslie; Adzic, Radoslav R.

    2013-01-01

    Splitting the C-C bond is the main obstacle to electroxidation of ethanol (EOR) to CO2. We recently demonstrated that the ternary PtRhSnO2 electrocatalyst can accomplish that reaction at room temperature with Rh having a unique capability to split the C-C bond. In this article we report the finding that Ir can be induced to split the C-C bond as a component of the ternary catalyst. We synthesized, characterized and compared the properties of several ternary electrocatalysts. Carbon-supported nanoparticle (NP) electrocatalysts comprising a SnO2 NP core decorated with multi-metallic nanoislands (MM = PtIr, PtRh, IrRh, PtIrRh) were prepared using a seeded growth approach. An array of characterization techniques were employed to establish the composition and architecture of the synthesized MM /SnO2 NPs, while electrochemical and in situ infrared reflection absorption spectroscopy studies elucidated trends in activity and the nature of the reaction intermediates and products. Both EOR reactivity and selectivity towards CO2 formation of several of these MM /SnO2/C electrocatalysts are significantly higher compared to conventional Pt/C and Pt/SnO2/C catalysts. We demonstrate that the PtIr/SnO2/C catalyst with high Ir content shows outstanding catalytic property with the most negative EOR onset potential and reasonably good selectivity towards ethanol complete oxidation to CO2. PtRh/SnO2/C catalysts with a moderate Rh content exhibit the highest EOR selectivity, as deduced from infrared studies.

  6. On the bonding nature of electron states for the Fe-Mo double perovskite

    SciTech Connect (OSTI)

    Carvajal, E.; Cruz-Irisson, M.; Oviedo-Roa, R.; Navarro, O.

    2014-05-15

    The electronic transport as well as the effect of an external magnetic field has been investigated on manganese-based materials, spinels and perovskites. Potential applications of double perovskites go from magnetic sensors to electrodes in solid-oxide fuel cells; besides the practical interests, it is known that small changes in composition modify radically the physical properties of double perovskites. We have studied the Sr{sub 2}FeMoO{sub 6} double perovskite compound (SFMO) using first-principles density functional theory. The calculations were done within the generalized gradient approximation (GGA) scheme with the Perdew-Burke-Ernzerhof (PBE) functional. We have made a detailed analysis of each electronic state and the charge density maps around the Fermi level. For the electronic properties of SFMO it was used a primitive cell, for which we found the characteristic half-metallic behavior density of states composed by e{sub g} and t{sub 2g} electrons from Fe and Mo atoms. Those peaks were tagged as bonding or antibonding around the Fermi level at both, valence and conduction bands.

  7. 9 Metal to Non-metal Transitions in Solids and on Surfaces studied using Photoemission Spectroscopy

    E-Print Network [OSTI]

    Redner, Sidney

    9 Metal to Non-metal Transitions in Solids and on Surfaces studied using Photoemission Spectroscopy of the electrical properties of a material between those of a metal and those of a non-metal (be it semiconducting metal to non-metal transitions. (Thephrase `metal to non-metal transition' is used in this paper

  8. Electroless metal plating of plastics

    DOE Patents [OSTI]

    Krause, L.J.

    1982-09-20

    Process for plating main group metals on aromatic polymers is carried out by the use of a nonaqueous solution of a salt of an alkali metal in a positive valence state and a main group metal in a negative valence state with contact between the solution and polymer providing a redox reaction causing the deposition of the main group metal and the reduction of the polymer. Products from the process exhibit useful decorative and electrical properties.

  9. Electroless metal plating of plastics

    DOE Patents [OSTI]

    Krause, Lawrence J. (Chicago, IL)

    1984-01-01

    Process for plating main group metals on aromatic polymers is carried out by the use of a nonaqueous solution of a salt of an alkali metal in a positive valence state and a main group metal in a negative valence state with contact between the solution and polymer providing a redox reaction causing the deposition of the main group metal and the reduction of the polymer. Products from the process exhibit useful decorative and electrical properties.

  10. Electroless metal plating of plastics

    DOE Patents [OSTI]

    Krause, Lawrence J. (Chicago, IL)

    1986-01-01

    Process for plating main group metals on aromatic polymers is carried out by the use of a nonaqueous solution of a salt of an alkali metal in a positive valence state and a main group metal in a negative valence state with contact between the solution and polymer providing a redox reaction causing the deposition of the main group metal and the reduction of the polymer. Products from the process exhibit useful decorative and electrical properties.

  11. Upgrading platform using alkali metals

    SciTech Connect (OSTI)

    Gordon, John Howard

    2014-09-09

    A process for removing sulfur, nitrogen or metals from an oil feedstock (such as heavy oil, bitumen, shale oil, etc.) The method involves reacting the oil feedstock with an alkali metal and a radical capping substance. The alkali metal reacts with the metal, sulfur or nitrogen content to form one or more inorganic products and the radical capping substance reacts with the carbon and hydrogen content to form a hydrocarbon phase. The inorganic products may then be separated out from the hydrocarbon phase.

  12. Methods of recovering alkali metals

    DOE Patents [OSTI]

    Krumhansl, James L; Rigali, Mark J

    2014-03-04

    Approaches for alkali metal extraction, sequestration and recovery are described. For example, a method of recovering alkali metals includes providing a CST or CST-like (e.g., small pore zeolite) material. The alkali metal species is scavenged from the liquid mixture by the CST or CST-like material. The alkali metal species is extracted from the CST or CST-like material.

  13. Concept of chemical bond and aromaticity based on quantum information theory

    E-Print Network [OSTI]

    Szilvási, T; Legeza, Ö

    2015-01-01

    Quantum information theory (QIT) emerged in physics as standard technique to extract relevant information from quantum systems. It has already contributed to the development of novel fields like quantum computing, quantum cryptography, and quantum complexity. This arises the question what information is stored according to QIT in molecules which are inherently quantum systems as well. Rigorous analysis of the central quantities of QIT on systematic series of molecules offered the introduction of the concept of chemical bond and aromaticity directly from physical principles and notions. We identify covalent bond, donor-acceptor dative bond, multiple bond, charge-shift bond, and aromaticity indicating unified picture of fundamental chemical models from ab initio.

  14. Coexistence of dilute and densely packed domains of ligand-receptor bonds in membrane adhesion

    E-Print Network [OSTI]

    Daniel Schmidt; Timo Bihr; Udo Seifert; Ana-Sun?ana Smith

    2012-07-11

    We analyze the stability of micro-domains of ligand-receptor bonds that mediate the adhesion of biological model membranes. After evaluating the effects of membrane fluctuations on the binding affinity of a single bond, we characterize the organization of bonds within the domains by theoretical means. In a large range of parameters, we find the commonly suggested dense packing to be separated by a free energy barrier from a regime in which bonds are sparsely distributed. If bonds are mobile, a coexistence of the two regimes should emerge, which agrees with recent experimental observations.

  15. Inert electrode containing metal oxides, copper and noble metal

    DOE Patents [OSTI]

    Ray, Siba P. (Murrysville, PA); Woods, Robert W. (New Kensington, PA); Dawless, Robert K. (Monroeville, PA); Hosler, Robert B. (Sarver, PA)

    2001-01-01

    A cermet composite material is made by treating at an elevated temperature a mixture comprising a compound of iron and a compound of at least one other metal, together with an alloy or mixture of copper and a noble metal. The alloy or mixture preferably comprises particles having an interior portion containing more copper than noble metal and an exterior portion containing more noble metal than copper. The noble metal is preferably silver. The cermet composite material preferably includes alloy phase portions and a ceramic phase portion. At least part of the ceramic phase portion preferably has a spinel structure.

  16. Inert electrode containing metal oxides, copper and noble metal

    DOE Patents [OSTI]

    Ray, Siba P. (Murrysville, PA); Woods, Robert W. (New Kensington, PA); Dawless, Robert K. (Monroeville, PA); Hosler, Robert B. (Sarver, PA)

    2000-01-01

    A cermet composite material is made by treating at an elevated temperature a mixture comprising a compound of iron and a compound of at least one other metal, together with an alloy or mixture of copper and a noble metal. The alloy or mixture preferably comprises particles having an interior portion containing more copper than noble metal and an exterior portion containing more noble metal than copper. The noble metal is preferably silver. The cermet composite material preferably includes alloy phase portions and a ceramic phase portion. At least part of the ceramic phase portion preferably has a spinel structure.

  17. The carburization of transition metal molybdates (MxMoO?, M= Cu, Ni or Co) and the generation of highly active metal/carbide catalysts for CO? hydrogenation

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

    Rodriguez, Jose A.; Xu, Wenqian; Ramirez, Pedro J.; Stachiola, Dario; Brito, Joaquin L.

    2015-05-06

    A new approach has been tested for the preparation of metal/Mo?C catalysts using mixed-metal oxide molybdates as precursors. Synchrotron-based in situ time-resolved X-ray diffraction was used to study the reduction and carburization processes of Cu?(MoO?)?(OH)?, a-NiMoO? and CoMoO?•nH?O by thermal treatment under mixtures of hydrogen and methane. In all cases, the final product was ?-Mo?C and a metal phase (Cu, Ni, or Co), but the transition sequence varied with the different metals, and it could be related to the reduction potential of the Cu˛?, Ni˛? and Co˛? cations inside each molybdate. The synthesized Cu/Mo?C, Ni/Mo?C and Co/Mo?C catalysts were highlymore »active for the hydrogenation of CO?. The metal/Mo?C systems exhibited large variations in the selectivity towards methanol, methane and CnH?n?? (n > 2) hydrocarbons depending on the nature of the supported metal and its ability to cleave C-O bonds. Cu/Mo?C displayed a high selectivity for CO and methanol production. Ni/Mo?C and Co/Mo?C were the most active catalysts for the activation and full decomposition of CO?, showing high selectivity for the production of methane (Ni case) and CnH?n?? (n > 2) hydrocarbons (Co case).« less

  18. The carburization of transition metal molybdates (MxMoO?, M= Cu, Ni or Co) and the generation of highly active metal/carbide catalysts for CO? hydrogenation

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

    Rodriguez, Jose A. [Brookhaven National Lab. (BNL), Upton, NY (United States); Xu, Wenqian [Brookhaven National Lab. (BNL), Upton, NY (United States); Ramirez, Pedro J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Univ. Central De Venezuela, Caracas (Venesuela); Stachiola, Dario [Brookhaven National Lab. (BNL), Upton, NY (United States); Brito, Joaquin L. [Inst. Venezolano de Investigaciones Cientificas, Caracas (Venezuela)

    2015-05-06

    A new approach has been tested for the preparation of metal/Mo?C catalysts using mixed-metal oxide molybdates as precursors. Synchrotron-based in situ time-resolved X-ray diffraction was used to study the reduction and carburization processes of Cu?(MoO?)?(OH)?, a-NiMoO? and CoMoO?•nH?O by thermal treatment under mixtures of hydrogen and methane. In all cases, the final product was ?-Mo?C and a metal phase (Cu, Ni, or Co), but the transition sequence varied with the different metals, and it could be related to the reduction potential of the Cu˛?, Ni˛? and Co˛? cations inside each molybdate. The synthesized Cu/Mo?C, Ni/Mo?C and Co/Mo?C catalysts were highly active for the hydrogenation of CO?. The metal/Mo?C systems exhibited large variations in the selectivity towards methanol, methane and CnH?n?? (n > 2) hydrocarbons depending on the nature of the supported metal and its ability to cleave C-O bonds. Cu/Mo?C displayed a high selectivity for CO and methanol production. Ni/Mo?C and Co/Mo?C were the most active catalysts for the activation and full decomposition of CO?, showing high selectivity for the production of methane (Ni case) and CnH?n?? (n > 2) hydrocarbons (Co case).

  19. Modulation of contact resistance between metal and graphene by controlling the graphene edge, contact area, and point defects: An ab initio study

    SciTech Connect (OSTI)

    Ma, Bo; Wen, Yanwei, E-mail: ywwen@hust.edu.cn, E-mail: bshan@mail.hust.edu.cn [State Key Laboratory of Material Processing and Die and Mould Technology and School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Gong, Cheng; Cho, Kyeongjae [Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, Texas 75080 (United States); Chen, Rong [State Key Laboratory of Digital Manufacturing Equipment and Technology and School of Mechanical Science and Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Shan, Bin, E-mail: ywwen@hust.edu.cn, E-mail: bshan@mail.hust.edu.cn [State Key Laboratory of Material Processing and Die and Mould Technology and School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, Texas 75080 (United States)

    2014-05-14

    A systematic first-principles non-equilibrium Green's function study is conducted on the contact resistance between a series of metals (Au, Ag, Pt, Cu, Ni, and Pd) and graphene in the side contact geometry. Different factors such as the termination of the graphene edge, contact area, and point defect in contacted graphene are investigated. Notable differences are observed in structural configurations and electronic transport characteristics of these metal-graphene contacts, depending on the metal species and aforementioned influencing factors. It is found that the enhanced chemical reactivity of the graphene due to dangling bonds from either the unsaturated graphene edge or point defects strengthens the metal-graphene bonding, leading to a considerable contact resistance reduction for weakly interacting metals Au and Ag. For stronger interacting metals Pt and Cu, a slightly reduced contact resistance is found due to such influencing factors. However, the wetting metals Ni and Pd most strongly hybridize with graphene, exhibiting negligible dependence on the above influencing factors. This study provides guidance for the optimization of metal-graphene contacts at an atomic scale.

  20. FLUIDIC: Metal Air Recharged

    SciTech Connect (OSTI)

    Friesen, Cody

    2014-03-07

    Fluidic, with the help of ARPA-E funding, has developed and deployed the world's first proven high cycle life metal air battery. Metal air technology, often used in smaller scale devices like hearing aids, has the lowest cost per electron of any rechargeable battery storage in existence. Deploying these batteries for grid reliability is competitive with pumped hydro installations while having the advantages of a small footprint. Fluidic's battery technology allows utilities and other end users to store intermittent energy generated from solar and wind, as well as maintain reliable electrical delivery during power outages. The batteries are manufactured in the US and currently deployed to customers in emerging markets for cell tower reliability. As they continue to add customers, they've gained experience and real world data that will soon be leveraged for US grid reliability.

  1. FLUIDIC: Metal Air Recharged

    ScienceCinema (OSTI)

    Friesen, Cody

    2014-04-02

    Fluidic, with the help of ARPA-E funding, has developed and deployed the world's first proven high cycle life metal air battery. Metal air technology, often used in smaller scale devices like hearing aids, has the lowest cost per electron of any rechargeable battery storage in existence. Deploying these batteries for grid reliability is competitive with pumped hydro installations while having the advantages of a small footprint. Fluidic's battery technology allows utilities and other end users to store intermittent energy generated from solar and wind, as well as maintain reliable electrical delivery during power outages. The batteries are manufactured in the US and currently deployed to customers in emerging markets for cell tower reliability. As they continue to add customers, they've gained experience and real world data that will soon be leveraged for US grid reliability.

  2. Spray casting of metallic preforms

    DOE Patents [OSTI]

    Flinn, John E. (Idaho Falls, ID); Burch, Joseph V. (Shelley, ID); Sears, James W. (Niskayuna, NY)

    2000-01-01

    A metal alloy is melted in a crucible and ejected from the bottom of the crucible as a descending stream of molten metal. The descending stream is impacted with a plurality of primary inert gas jets surrounding the molten metal stream to produce a plume of atomized molten metal droplets. An inert gas is blown onto a lower portion of the plume with a plurality of auxiliary inert gas jets to deflect the plume into a more restricted pattern of high droplet density, thereby substantially eliminating unwanted overspray and resulting wasted material. The plume is projected onto a moving substrate to form a monolithic metallic product having generally parallel sides.

  3. Hydrothermal alkali metal recovery process

    DOE Patents [OSTI]

    Wolfs, Denise Y. (Houston, TX); Clavenna, Le Roy R. (Baytown, TX); Eakman, James M. (Houston, TX); Kalina, Theodore (Morris Plains, NJ)

    1980-01-01

    In a coal gasification operation or similar conversion process carried out in the presence of an alkali metal-containing catalyst wherein solid particles containing alkali metal residues are produced, alkali metal constituents are recovered from the particles by treating them with a calcium or magnesium-containing compound in the presence of water at a temperature between about 250.degree. F. and about 700.degree. F. and in the presence of an added base to establish a pH during the treatment step that is higher than would otherwise be possible without the addition of the base. During the treating process the relatively high pH facilitates the conversion of water-insoluble alkali metal compounds in the alkali metal residues into water-soluble alkali metal constituents. The resultant aqueous solution containing water-soluble alkali metal constituents is then separated from the residue solids, which consist of the treated particles and any insoluble materials formed during the treatment step, and recycled to the gasification process where the alkali metal constituents serve as at least a portion of the alkali metal constituents which comprise the alkali metal-containing catalyst. Preferably, the base that is added during the treatment step is an alkali metal hydroxide obtained by water washing the residue solids produced during the treatment step.

  4. Dimensionally stable metallic hydride composition

    DOE Patents [OSTI]

    Heung, Leung K. (Aiken, SC)

    1994-01-01

    A stable, metallic hydride composition and a process for making such a composition. The composition comprises a uniformly blended mixture of a metal hydride, kieselguhr, and a ballast metal, all in the form of particles. The composition is made by subjecting a metal hydride to one or more hydrogen absorption/desorption cycles to disintegrate the hydride particles to less than approximately 100 microns in size. The particles are partly oxidized, then blended with the ballast metal and the kieselguhr to form a uniform mixture. The mixture is compressed into pellets and calcined. Preferably, the mixture includes approximately 10 vol. % or more kieselguhr and approximately 50 vol. % or more ballast. Metal hydrides that can be used in the composition include Zr, Ti, V, Nb, Pd, as well as binary, tertiary, and more complex alloys of La, Al, Cu, Ti, Co, Ni, Fe, Zr, Mg, Ca, Mn, and mixtures and other combinations thereof. Ballast metals include Al, Cu and Ni.

  5. Corrosion protective coating for metallic materials

    DOE Patents [OSTI]

    Buchheit, R.G.; Martinez, M.A.

    1998-05-26

    Corrosion protective coatings for metallic materials, particularly aluminum and aluminum alloys, produced with simple, low-cost equipment and materials other than toxic metals or metal salts, or metal cyanides is disclosed. The metallic material is cleaned, degreased, and deoxidized, the surface is converted to a substantially alkaline condition, and the surface is chemically sealed with inorganic metal compounds. 1 fig.

  6. Reduction of Metal Oxide to Metal using Ionic Liquids

    SciTech Connect (OSTI)

    Dr. Ramana Reddy

    2012-04-12

    A novel pathway for the high efficiency production of metal from metal oxide means of electrolysis in ionic liquids at low temperature was investigated. The main emphasis was to eliminate the use of carbon and high temperature application in the reduction of metal oxides to metals. The emphasis of this research was to produce metals such as Zn, and Pb that are normally produced by the application of very high temperatures. The reduction of zinc oxide to zinc and lead oxide to lead were investigated. This study involved three steps in accomplishing the final goal of reduction of metal oxide to metal using ionic liquids: 1) Dissolution of metal oxide in an ionic liquid, 2) Determination of reduction potential using cyclic voltammetry (CV) and 3) Reduction of the dissolved metal oxide. Ionic liquids provide additional advantage by offering a wide potential range for the deposition. In each and every step of the process, more than one process variable has been examined. Experimental results for electrochemical extraction of Zn from ZnO and Pb from PbO using eutectic mixtures of Urea ((NH2)2CO) and Choline chloride (HOC2H4N(CH3)3+Cl-) or (ChCl) in a molar ratio 2:1, varying voltage and temperatures were carried out. Fourier Transform Infra-Red (FTIR) spectroscopy studies of ionic liquids with and without metal oxide additions were conducted. FTIR and induction coupled plasma spectroscopy (ICPS) was used in the characterization of the metal oxide dissolved ionic liquid. Electrochemical experiments were conducted using EG&G potentiostat/galvanostat with three electrode cell systems. Cyclic voltammetry was used in the determination of reduction potentials for the deposition of metals. Chronoamperometric experiments were carried out in the potential range of -0.6V to -1.9V for lead and -1.4V to -1.9V for zinc. The deposits were characterized using XRD and SEM-EDS for phase, morphological and elemental analysis. The results showed that pure metal was deposited on the cathode. Successful extraction of metal from metal oxide dissolved in Urea/ChCl (2:1) was accomplished. The current efficiencies were relatively high in both the metal deposition processes with current efficiency greater than 86% for lead and 95% for zinc. This technology will advance the metal oxide reduction process by increasing the process efficiency and also eliminate the production of CO2 which makes this an environmentally benign technology for metal extraction.

  7. Final Report: Metal Perhydrides for Hydrogen Storage

    SciTech Connect (OSTI)

    Hwang, J-Y.; Shi, S.; Hackney, S.; Swenson, D.; Hu, Y.

    2011-07-26

    Hydrogen is a promising energy source for the future economy due to its environmental friendliness. One of the important obstacles for the utilization of hydrogen as a fuel source for applications such as fuel cells is the storage of hydrogen. In the infrastructure of the expected hydrogen economy, hydrogen storage is one of the key enabling technologies. Although hydrogen possesses the highest gravimetric energy content (142 KJ/g) of all fuels, its volumetric energy density (8 MJ/L) is very low. It is desired to increase the volumetric energy density of hydrogen in a system to satisfy various applications. Research on hydrogen storage has been pursed for many years. Various storage technologies, including liquefaction, compression, metal hydride, chemical hydride, and adsorption, have been examined. Liquefaction and high pressure compression are not desired due to concerns related to complicated devices, high energy cost and safety. Metal hydrides and chemical hydrides have high gravimetric and volumetric energy densities but encounter issues because high temperature is required for the release of hydrogen, due to the strong bonding of hydrogen in the compounds. Reversibility of hydrogen loading and unloading is another concern. Adsorption of hydrogen on high surface area sorbents such as activated carbon and organic metal frameworks does not have the reversibility problem. But on the other hand, the weak force (primarily the van der Waals force) between hydrogen and the sorbent yields a very small amount of adsorption capacity at ambient temperature. Significant storage capacity can only be achieved at low temperatures such as 77K. The use of liquid nitrogen in a hydrogen storage system is not practical. Perhydrides are proposed as novel hydrogen storage materials that may overcome barriers slowing advances to a hydrogen fuel economy. In conventional hydrides, e.g. metal hydrides, the number of hydrogen atoms equals the total valence of the metal ions. One LiH molecule contains one hydrogen atom because the valence of a Li ion is +1. One MgH2 molecule contains two hydrogen atoms because the valence of a Mg ion is +2. In metal perhydrides, a molecule could contain more hydrogen atoms than expected based on the metal valance, i.e. LiH1+n and MgH2+n (n is equal to or greater than 1). When n is sufficiently high, there will be plenty of hydrogen storage capacity to meet future requirements. The existence of hydrogen clusters, Hn+ (n = 5, 7, 9, 11, 13, 15) and transition metal ion-hydrogen clusters, M+(H2)n (n = 1-6), such as Sc(H2)n+, Co(H2)n+, etc., have assisted the development of this concept. Clusters are not stable species. However, their existence stimulates our approach on using electric charges to enhance the hydrogen adsorption in a hydrogen storage system in this study. The experimental and modeling work to verify it are reported here. Experimental work included the generation of cold hydrogen plasma through a microwave approach, synthesis of sorbent materials, design and construction of lab devices, and the determination of hydrogen adsorption capacities on various sorbent materials under various electric field potentials and various temperatures. The results consistently show that electric potential enhances the adsorption of hydrogen on sorbents. NiO, MgO, activated carbon, MOF, and MOF and platinum coated activated carbon are some of the materials studied. Enhancements up to a few hundred percents have been found. In general, the enhancement increases with the electrical potential, the pressure applied, and the temperature lowered. Theoretical modeling of the hydrogen adsorption on the sorbents under the electric potential has been investigated with the density functional theory (DFT) approach. It was found that the interaction energy between hydrogen and sorbent is increased remarkably when an electric field is applied. This increase of binding energy offers a potential solution for DOE when looking for a compromise between chemisorption and physisorption for hydrogen storage. Bonding of chemisorption is too

  8. Title 43 CFR 3104 Bonds | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page| Open Energy Information Serbia-EnhancingEt Al., 2013)Open EnergyTinoxOpen Energy Information 155104 Bonds Jump

  9. Chemical bond and entanglement of electrons in the hydrogen molecule

    E-Print Network [OSTI]

    Nikos Iliopoulos; Andreas F. Terzis

    2014-08-01

    We theoretically investigate the quantum correlations (in terms of concurrence of indistinguishable electrons) in a prototype molecular system (hydrogen molecule). With the assistance of the standard approximations of the linear combination of atomic orbitals and the con?guration interaction methods we describe the electronic wavefunction of the ground state of the H2 molecule. Moreover, we managed to ?find a rather simple analytic expression for the concurrence (the most used measure of quantum entanglement) of the two electrons when the molecule is in its lowest energy. We have found that concurrence does not really show any relation to the construction of the chemical bond.

  10. Fuel cell system with separating structure bonded to electrolyte

    DOE Patents [OSTI]

    Bourgeois, Richard Scott (Albany, NY); Gudlavalleti, Sauri (Albany, NY); Quek, Shu Ching (Clifton Park, NY); Hasz, Wayne Charles (Pownal, VT); Powers, James Daniel (Santa Monica, CA)

    2010-09-28

    A fuel cell assembly comprises a separating structure configured for separating a first reactant and a second reactant wherein the separating structure has an opening therein. The fuel cell assembly further comprises a fuel cell comprising a first electrode, a second electrode, and an electrolyte interposed between the first and second electrodes, and a passage configured to introduce the second reactant to the second electrode. The electrolyte is bonded to the separating structure with the first electrode being situated within the opening, and the second electrode being situated within the passage.

  11. Qualified Energy Conservation Bonds (QECBs) & New Clean Renewable Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious RankADVANCED MANUFACTURINGEnergy BillsNo. 195 - Oct. 7, 2011 |1 DOE HydrogenDepartmentU.S. Department ofBonds

  12. Bond County, Illinois: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmental JumpInformationBio-GasIllinois:Energy Authority Jump to:Bolivia:Vermont:BonBond

  13. Time-Resolved Study of Bonding in Liquid Carbon

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effectWorking With U.S.Week DayDr.Theories (JournalTime-Resolved Study of Bonding in

  14. Experimental and Theoretical Investigations of Energy Transfer and Hydrogen-Bond Breaking in Small Water and HCl Clusters

    E-Print Network [OSTI]

    Reisler, Hanna

    Experimental and Theoretical Investigations of Energy Transfer and Hydrogen-Bond Breaking in Small illustrating ubiquitous hydrogen bonding (H-bonding) in the gas phase, liquids, crystals, and amorphous solids and experiment are enlisted to determine bond dissociation energies (D0) of small dimers and cyclic trimers

  15. Accumulation capacitance frequency dispersion of III-V metal-insulator-semiconductor devices due to disorder induced gap states

    SciTech Connect (OSTI)

    Galatage, R. V. [Department of Electrical Engineering, The University of Texas at Dallas, Richardson, Texas 75080 (United States); Zhernokletov, D. M. [Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, Texas 75080 (United States); Dong, H.; Brennan, B.; Hinkle, C. L. [Department of Physics, The University of Texas at Dallas, Richardson, Texas 75080 (United States); Wallace, R. M. [Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, Texas 75080 (United States); Department of Physics, The University of Texas at Dallas, Richardson, Texas 75080 (United States); Vogel, E. M. [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States)

    2014-07-07

    The origin of the anomalous frequency dispersion in accumulation capacitance of metal-insulator-semiconductor devices on InGaAs and InP substrates is investigated using modeling, electrical characterization, and chemical characterization. A comparison of the border trap model and the disorder induced gap state model for frequency dispersion is performed. The fitting of both models to experimental data indicate that the defects responsible for the measured dispersion are within approximately 0.8 nm of the surface of the crystalline semiconductor. The correlation between the spectroscopically detected bonding states at the dielectric/III-V interface, the interfacial defect density determined using capacitance-voltage, and modeled capacitance-voltage response strongly suggests that these defects are associated with the disruption of the III-V atomic bonding and not border traps associated with bonding defects within the high-k dielectric.

  16. IMPACT OF CAPILLARY AND BOND NUMBERS ON RELATIVE PERMEABILITY

    SciTech Connect (OSTI)

    Kishore K. Mohanty

    2002-09-30

    Recovery and recovery rate of oil, gas and condensates depend crucially on their relative permeability. Relative permeability in turn depends on the pore structure, wettability and flooding conditions, which can be represented by a set of dimensionless groups including capillary and bond numbers. The effect of flooding conditions on drainage relative permeabilities is not well understood and is the overall goal of this project. This project has three specific objectives: to improve the centrifuge relative permeability method, to measure capillary and bond number effects experimentally, and to develop a pore network model for multiphase flows. A centrifuge has been built that can accommodate high pressure core holders and x-ray saturation monitoring. The centrifuge core holders can operate at a pore pressure of 6.9 MPa (1000 psi) and an overburden pressure of 17 MPa (2500 psi). The effect of capillary number on residual saturation and relative permeability in drainage flow has been measured. A pore network model has been developed to study the effect of capillary numbers and viscosity ratio on drainage relative permeability. Capillary and Reynolds number dependence of gas-condensate flow has been studied during well testing. A method has been developed to estimate relative permeability parameters from gas-condensate well test data.

  17. COORDINATION CHEMISTRY OF METAL SURFACES AND METAL COMPLEXES

    E-Print Network [OSTI]

    Muetterties, E.L.

    2013-01-01

    molecular coordination chemistry of CH3NC has been reported.features of this surface chemistry. ACKNOw"LEDGMENTS The1980 Catalysis~ COORDINATION CHEMISTRY OF METAL SURFACES AND

  18. Probing metal solidification nondestructively

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration wouldMass mapSpeedingProgramExemptions | National NuclearProbingProbing metal solidification

  19. Probing metal solidification nondestructively

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home RoomPreservation of Fe(II) by Carbon-Rich Matrices inPrincipalFirm Exchange . . .Probing metal

  20. On Modeling Bonds in Fused, Porous Networks: 3D Simulations

    E-Print Network [OSTI]

    Sastry, Ann Marie

    , fused, joint, mechanics, nanotube, network, random, sintered, welded. INTRODUCTION EXAMPLES OF FUSED.1177/002199803029725 ß 2003 Sage Publications #12;(nickel-metal hydride) and Li-ion (lithium ion) batteries that contain nanotube mat are among the newest engineered materials constructed in this way. Applications