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1

Trending: Metal Oxo Bonds  

NLE Websites -- All DOE Office Websites (Extended Search)

Trending: Metal Oxo Bonds 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 disciplines, including materials science, chemistry, and biology. Highly covalent metal-oxygen multiple bonds (metal oxos) are the building blocks of metal oxides and have a bearing on the oxide's desirable chemical, magnetic, electronic, and thermal properties. The lack of a more sophisticated grasp of bonding in metal oxides constitutes a roadblock to innovation in a wide variety of important emergent technologies, including industrial catalysis, biomimetic transformations, and artificial photosynthesis. To address this problem, a research team from four national laboratories, three Department of Energy synchrotron user facilities, and the University of Washington has applied spectroscopic and computational analyses to a number of metal oxides, quantifying trends in metal oxo bonding for groups of metals across the periodic table.

2

Trending: Metal Oxo Bonds  

NLE Websites -- All DOE Office Websites (Extended Search)

Trending: Metal Oxo Bonds Print Trending: Metal Oxo Bonds Print Metal oxides are important for scientific and technical applications in a variety of disciplines, including materials science, chemistry, and biology. Highly covalent metal-oxygen multiple bonds (metal oxos) are the building blocks of metal oxides and have a bearing on the oxide's desirable chemical, magnetic, electronic, and thermal properties. The lack of a more sophisticated grasp of bonding in metal oxides constitutes a roadblock to innovation in a wide variety of important emergent technologies, including industrial catalysis, biomimetic transformations, and artificial photosynthesis. To address this problem, a research team from four national laboratories, three Department of Energy synchrotron user facilities, and the University of Washington has applied spectroscopic and computational analyses to a number of metal oxides, quantifying trends in metal oxo bonding for groups of metals across the periodic table.

3

Trending: Metal Oxo Bonds  

NLE Websites -- All DOE Office Websites (Extended Search)

Trending: Metal Oxo Bonds Print Trending: Metal Oxo Bonds Print Metal oxides are important for scientific and technical applications in a variety of disciplines, including materials science, chemistry, and biology. Highly covalent metal-oxygen multiple bonds (metal oxos) are the building blocks of metal oxides and have a bearing on the oxide's desirable chemical, magnetic, electronic, and thermal properties. The lack of a more sophisticated grasp of bonding in metal oxides constitutes a roadblock to innovation in a wide variety of important emergent technologies, including industrial catalysis, biomimetic transformations, and artificial photosynthesis. To address this problem, a research team from four national laboratories, three Department of Energy synchrotron user facilities, and the University of Washington has applied spectroscopic and computational analyses to a number of metal oxides, quantifying trends in metal oxo bonding for groups of metals across the periodic table.

4

Trending: Metal Oxo Bonds  

NLE Websites -- All DOE Office Websites (Extended Search)

Trending: Metal Oxo Bonds Print Trending: Metal Oxo Bonds Print Metal oxides are important for scientific and technical applications in a variety of disciplines, including materials science, chemistry, and biology. Highly covalent metal-oxygen multiple bonds (metal oxos) are the building blocks of metal oxides and have a bearing on the oxide's desirable chemical, magnetic, electronic, and thermal properties. The lack of a more sophisticated grasp of bonding in metal oxides constitutes a roadblock to innovation in a wide variety of important emergent technologies, including industrial catalysis, biomimetic transformations, and artificial photosynthesis. To address this problem, a research team from four national laboratories, three Department of Energy synchrotron user facilities, and the University of Washington has applied spectroscopic and computational analyses to a number of metal oxides, quantifying trends in metal oxo bonding for groups of metals across the periodic table.

5

Trending: Metal Oxo Bonds  

NLE Websites -- All DOE Office Websites (Extended Search)

Trending: Metal Oxo Bonds Print Trending: Metal Oxo Bonds Print Metal oxides are important for scientific and technical applications in a variety of disciplines, including materials science, chemistry, and biology. Highly covalent metal-oxygen multiple bonds (metal oxos) are the building blocks of metal oxides and have a bearing on the oxide's desirable chemical, magnetic, electronic, and thermal properties. The lack of a more sophisticated grasp of bonding in metal oxides constitutes a roadblock to innovation in a wide variety of important emergent technologies, including industrial catalysis, biomimetic transformations, and artificial photosynthesis. To address this problem, a research team from four national laboratories, three Department of Energy synchrotron user facilities, and the University of Washington has applied spectroscopic and computational analyses to a number of metal oxides, quantifying trends in metal oxo bonding for groups of metals across the periodic table.

6

J. Phys. Chem. 1988, 92, 2109-2115 2109 Early-versus Late-Transition-Metal-Oxo Bonds: The Electronlc Structure of VO' and  

E-Print Network (OSTI)

O' are also reported. These results indicate fundamental differences in the nature of the metal-oxo bond olefins and al- cohols to epoxides,diols, aldehydes, ketones, and carboxylic acidsS6 Late transition, excitation energies, and ionization potential~,~g>~and gas-phase studies of their chemical rea

Goddard III, William A.

7

Carbon?Oxygen Bond Forming Mechanisms in Rhenium Oxo-Alkyl Complexes  

SciTech Connect

Three C?X bond formation mechanisms observed in the oxidation of (HBpz{sub 3})ReO(R)(OTf) [HBpz{sub 3} = hydrotris(1-pyrazolyl)borate; R = Me, Et, and iPr; OTf = OSO{sub 2}CF{sub 3}] by dimethyl sulfoxide (DMSO) were investigated using quantum mechanics (M06//B3LYP DFT) combined with solvation (using the PBF Poisson?Boltzmann polarizable continuum solvent model). For R = Et we find the alkyl group is activated through ?-hydrogen abstraction by external base OTf{sup ?} with a free energy barrier of only 12.0 kcal/mol, leading to formation of acetaldehyde. Alternatively, ethyl migration across the M?O bond (leading to the formation of acetaldehyde and ethanol) poses a free energy barrier of 22.1 kcal/mol, and the previously proposed ?-hydrogen transfer to oxo (a 2+2 forbidden reaction) poses a barrier of 44.9 kcal/mol. The rate-determining step to formation of the final product acetaldehyde is an oxygen atom transfer from DMSO to the ethylidene, with a free energy barrier of 15.3 kcal/mol. When R = iPr, the alkyl 1,2-migration pathway becomes the more favorable pathway (both kinetically and thermodynamically), with a free energy barrier (?G{sup ?} = 11.8 kcal/mol) lower than ?-hydrogen abstraction by OTf{sup ?} (?G{sup ?} = 13.5 kcal/mol). This suggests the feasibility of utilizing this type of migration to functionalize M?R to M?OR. We also considered the nucleophilic attack of water and ammonia on the Re-ethylidene ?-carbon as a means of recovering two-electron-oxidized products from an alkane oxidation. Nucleophilic attack (with internal deprotonation of the nucleophile) is exothermic. However, the subsequent protonolysis of the Re?alkyl bond (to liberate an alcohol or amine) poses a barrier of 37.0 or 42.4 kcal/mol, respectively. Where comparisons are possible, calculated free energies agree very well with experimental measurements.

Cheng, Mu-Jeng; Nielsen, Robert J; Ahlquist, Marten; Goddard, William A

2010-01-01T23:59:59.000Z

8

Metallic bonding in magnesium microclusters  

Science Journals Connector (OSTI)

We investigate the size evolution of bonding in magnesium clusters Mgn, with n?20. Computations are performed in the density-functional scheme with two prescriptions for the exchange-correlation energy: the local-density approximation (LDA), and an improved scheme including gradient corrections (GC). The LDA results show that Mg10 clusters already have acquired several of the characteristic features of metallic aggregates. GC significantly decrease the cohesive energies, and predict a slower convergence with n to the bulk, without changing, however, the qualitative picture given by LDA.

P. Delaly; P. Ballone; J. Buttet

1992-02-15T23:59:59.000Z

9

Covalency in Metal-Oxygen Multiple Bonds Evaluated Using Oxygen...  

NLE Websites -- All DOE Office Websites (Extended Search)

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

10

Theory of bonding of transition metals to nontransition metals  

Science Journals Connector (OSTI)

We present a theory of the chemical bond in compounds consisting of both transition metals and nontransition metals. Chemical trends in the bonding properties are established by directly comparing the total energies of a large number of such compounds with the total energies of their constituents. These chemical trends are analyzed in terms of the s-, p-, and d-like state densities of the compounds and the constituents. Rather different types of bonding are shown to result when the atomic s and p levels of the nontransition metal lie above, below, and near the energy of the transition-metal d level. The heat of compound formation is shown to result from a competition between two simple physical effects: (1) the weakening of the transition-metal bonds by the lattice dilatation required for the accommodation of the nontransition metal, and (2) the increased bonding which results from the occupation of the bonding members of the hybrid states formed from the interaction between the transition-metal d states and the s-p states on the nontransition metal. Our theoretical values for the heats of formation of these compounds are generally similar to those given by Miedema's empirical formula. Distinctive aspects of the variation of the heat of formation with the number of valence electrons reveal, however, that the microscopic picture on which the empirical formula is based is quite different from that given by our self-consistent energy-band theory.

C. D. Gelatt; Jr.; A. R. Williams; V. L. Moruzzi

1983-02-15T23:59:59.000Z

11

Metal-on-Metal Bonding and Rebonding Revisited  

Science Journals Connector (OSTI)

Density-functional calculations for a wide variety of metals show that, contrary to rebonding theory, ad-dimers do not have notably longer surface bonds than adatoms, do not reside farther above the surface, and do not meet the rebonding arguments for augmented mobility. Rebonding contributes to destabilize ad-dimers, but does not explain inherently weak ad-dimer bonds.

Alexander Bogicevic

1999-06-28T23:59:59.000Z

12

Complexes of niobium and tantalum containing metal-metal bonds  

SciTech Connect

A new entry into the area of low valent niobium and tantalum complexes containing metal-metal bonds is described. M/sub 2/X/sub 6/ (..mu..-THT)(THF)/sub 2/ complexes, where M = Nb or Ta, X = Cl or Br and THT - tetrahydrothiophene, are conveniently synthesized via the reaction of M/sub 2/M/sub 6/(THT)/sub 3/ with THF (THF = tetrahydrofuran). Unlike M/sub 2/X/sub 6/(THT)/sub 3/, M/sub 2/X/sub 6/(..mu..-THT)(THF)/sub 2/ can be easily reduced by sodium amalgam. In THF and in the presence of THT, complexes of the type M/sub 2/X/sub 6/(..mu..-THT)/sub 3//sup 2 -/ form. Salts of these compounds can also be synthesized directly from the metal pentahalides in a two step, one pot reaction in which M/sub 2/X/sub 6/(THT)/sub 3/ is an intermediate. The M/sub 2/X/sub 6/(..mu..-THT)/sub 3//sup 2 -/ complexes have a face-sharing bioctahedral structure with metal-metal triple bonds, the first reported for niobium or tantalum. These compounds are relatively inert, but (Nb/sub 2/Cl/sub 6/(..mu..-THT)/sub 3//sup 2 -/ does reach with pyridine and with a solution of acetic acid/acetic anhydride. These reactions and those of some of the sodium salts are described. In general, trinuclear complexes of niobium and tantalum are rare, and this type of discrete trinuclear complex, which contains one capping, three bridging and nine terminal ligands, has been seen only once before for the group 5 metals, although many examples of similar group 6 metal complexes are known. Full details of the synthesis and characterization of these complexes are described and an interpretation of their electronic structures is given.

Diebold, M.P.

1987-01-01T23:59:59.000Z

13

Adhesion, stability, and bonding at metal/metal-carbide interfaces: Al/WC Donald J. Siegel  

E-Print Network (OSTI)

of adhesion between metals and transition metal carbides/nitrides based on Density Functional Theory(DFT)[14Adhesion, stability, and bonding at metal/metal-carbide interfaces: Al/WC Donald J. Siegel the nature of metal/carbide bonding. Based on the surface and interfacial free energies, we find that both

Adams, James B

14

Metal-bonded, carbon fiber-reinforced composites  

DOE Patents (OSTI)

Metal bonded carbon fiber-reinforced composites are disclosed in which the metal and the composite are strongly bound by (1) providing a matrix-depleted zone in the composite of sufficient depth to provide a binding site for the metal to be bonded and then (2) infiltrating the metal into the matrix-free zone to fill a substantial portion of the zone and also provide a surface layer of metal, thereby forming a strong bond between the composite and the metal. The invention also includes the metal-bound composite itself, as well as the provision of a coating over the metal for high-temperature performance or for joining to other such composites or to other substrates.

Sastri, Suri A. (Lexington, MA); Pemsler, J. Paul (Lexington, MA); Cooke, Richard A. (Framingham, MA); Litchfield, John K. (Bedford, MA); Smith, Mark B. (Ipswich, MA)

1996-01-01T23:59:59.000Z

15

Metal-bonded, carbon fiber-reinforced composites  

DOE Patents (OSTI)

Metal bonded carbon fiber-reinforced composites are disclosed in which the metal and the composite are strongly bound by (1) providing a matrix-depleted zone in the composite of sufficient depth to provide a binding site for the metal to be bonded and then (2) infiltrating the metal into the matrix-free zone to fill a substantial portion of the zone and also provide a surface layer of metal, thereby forming a strong bond between the composite and the metal. The invention also includes the metal-bound composite itself, as well as the provision of a coating over the metal for high-temperature performance or for joining to other such composites or to other substrates. 2 figs.

Sastri, S.A.; Pemsler, J.P.; Cooke, R.A.; Litchfield, J.K.; Smith, M.B.

1996-03-05T23:59:59.000Z

16

Dinuclear Metalloradicals Featuring Unsupported Metal-Metal Bonds  

SciTech Connect

Unlike the very labile, unobservable radical cations [{l_brace}CpM(CO){sub 3}{r_brace}{sub 2}]{sup {sm_bullet}+} (M = W, Mo), derivatives [{l_brace}CpM(CO){sub 2}(PMe{sub 3}){r_brace}{sub 2}]{sup {sm_bullet}+} are stable enough to be isolated and characterized. Experimental and theoretical studies show that the shortened M-M bonds are of order 1 1/2, and that they are not supported by bridging ligands. The unpaired electron is fully delocalized, with a spin density of ca. 45% on each metal atom. We thank the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences for support of this work. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. The EPR and computational studies were performed using EMSL, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at PNNL. We thank Dr. Charles Windisch for access to his UV-Vis-NIR spectrometer.

van der Eide, Edwin F.; Yang, Ping; Walter, Eric D.; Liu, Tianbiao L.; Bullock, R. Morris

2012-08-13T23:59:59.000Z

17

METAL NANOPARTICLES FUNCTIONALIZED WITH METAL-LIGAND COVALENT BONDS  

E-Print Network (OSTI)

fundamental and technological perspectives, largely because these nanomaterials show unique optical and electronicelectronic energy structures, which may serve as a fundamentaland electronic characteristics, the metal nanoparticles have been attracting extensive interest in the field of fundamental

Kang, Xiongwu

2012-01-01T23:59:59.000Z

18

E-Print Network 3.0 - aryl-metal bond chemistry Sample Search...  

NLE Websites -- All DOE Office Websites (Extended Search)

metal bond chemistry Search Powered by Explorit Topic List Advanced Search Sample search results for: aryl-metal bond chemistry Page: << < 1 2 3 4 5 > >> 1 Subscriber access...

19

Reactivity studies of a pseudo three-coordinate vanadium(II) complex: Synthesis of terminal oxo and sulfido complexes of vanadium(IV) and S?S and Se?Se reductive bond cleavage reactions  

SciTech Connect

Terminal oxo and sulfido complexes in the form of (nacnac)V=E(Ntol{sub 2}) (nacnac = [ArNC(CH{sub 3})]{sub 2}CH{sup -}, Ar = 2,6-(CHMe{sub 2}){sub 2}C{sub 6}H{sub 3}, Ntol{sub 2} = {sup -}N(C{sub 6}H{sub 4}-4-Me), E = O (1), S (2)) were isolated from treatment of the masked three-coordinate vanadium(II) complex, (nacnac)V(Ntol{sub 2}), with C{sub 5}H{sub 5}NO and S{sub 8}, respectively. Both vanadium(IV) species, 1 and 2, have been characterized by room temperature X-band EPR spectroscopic studies, and in the case of complex 1, a single crystal molecular structure confirmed the presence of a terminal oxo moiety. Moreover, reaction of (nacnac)V(Ntol{sub 2}) with diphenyl-disulfide and diphenyl-diselenide results in the reductive cleavage of these compounds to produce the vanadium(III) complexes (nacnac)V(XPh)(Ntol{sub 2}) (X = S, (3), Se (4)). A molecular structure of the phenylsulfide complex, 3, confirmed formation of the d{sup 2} complex resulting from reductive cleavage of the S-S bond.

Tran, Ba L.; Chen, Chun-Hsing; Mindiola, Daniel J. (Indiana)

2012-02-07T23:59:59.000Z

20

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

E-Print Network (OSTI)

Functional Theory calculations on model compounds show that metal to ligand back bonding is critical to the electron transfer pathway. iv Tetranuclear Mo 4 clusters with two [Mo 2 (cis?DAniF) 2 ] 2+ units linked by single atoms usually show large... guidance, patience, and encouragement during my graduate study. I sincerely thank Professor Carlos A. Murillo for his advice, direction and helpful discussions on my projects. His expertise in chemistry theories and wealth of synthetic knowledge has...

Li, Zhong

2009-05-15T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

Electronic states of metallic and semiconducting carbon nanotubes with bond and site disorder  

E-Print Network (OSTI)

energy in both of metallic and semiconducting carbon nanotubes. The bond disorder gives rise to a huge nanotube. We have also found that suppression of electronic conductance around the Fermi energy due and semiconducting carbon nanotubes. A huge density of states appears at the Fermi energy in the bond disorder case

Harigaya, Kikuo

22

Liquid Metal Bond for Improved Heat Transfer in LWR Fuel Rods  

SciTech Connect

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.

Donald Olander

2005-08-24T23:59:59.000Z

23

Polyoxometalate Embedding of a Tetraruthenium(IV)-oxo-core by Template-Directed Metalation of [-SiW10O36]8-  

E-Print Network (OSTI)

W10O36]8- : A Totally Inorganic Oxygen-Evolving Catalyst Andrea Sartorel,*, Mauro Carraro, Gianfranco,2 Stabilization of adjacent d- electron centers through multiple-µ-hydroxo/oxo bridging units is one of the most and assist deprotonation equilibria on the poly- oxygenated surface.6,7 Despite their appeal, the synthesis

Bernhard, Stefan

24

Bond-order potential for transition metal carbide cluster for the growth simulation of a single-walled carbon nanotube  

E-Print Network (OSTI)

Bond-order potential for transition metal carbide cluster for the growth simulation of a single for transition metal carbide cluster is developed in the form of the bond-order type potential function-order potential; Carbon nanotube; transition metal carbide cluster *Corresponding Author. Fax: +81-3-5841-8653 E

Maruyama, Shigeo

25

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

NLE Websites -- All DOE Office Websites (Extended Search)

Tuning the Metal-Adsorbate Chemical Bond through the Ligand Effect on 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 transition metal catalysts, which are scarce in nature and thus expensive, has been of great importance to the development of economical industrial and energy-saving processes. Over the years several methods have been suggested, especially for processes using platinum, which is the most active metal catalyst for many important reactions, including the reduction of oxygen in fuel cells. Figure 1. Figure 1. Schematic representation of Pt subsurface alloys and corresponding shifts in Pt d-band center. Tuning chemical functionality by implementing a ligand effect - in other words, by changing the atomic nearest neighbor environment - is a

26

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

SciTech Connect

The initial stages of water adsorption on the Pd(111) and Ru(0001) surfaces have been investigated experimentally by Scanning Tunneling Microscopy in the temperature range between 40 K and 130 K, and theoretically with Density Functional Theory (DFT) total energy calculations and STM image simulations. Below 125 K water dissociation does not occur at any appreciable rate and only molecular films are formed. Film growth starts by the formation of flat hexamer clusters where the molecules bind to the metal substrate through the O-lone pair while making H-bonds with neighboring molecules. As coverage increases, larger networks of linked hexagons are formed with a honeycomb structure, which requires a fraction of the water molecules to have their molecular plane perpendicular to the metal surface with reduced water-metal interaction. Energy minimization favors the growth of networks with limited width. As additional water molecules adsorb on the surface they attach to the periphery of existing islands, where they interact only weakly with the metal substrate. These molecules hop along the periphery of the clusters at intermediate temperatures. At higher temperatures they bind to the metal to continue the honeycomb growth. The water-Ru interaction is significantly stronger than the water-Pd interaction, which is consistent with the greater degree of hydrogen-bonded network formation and reduced water-metal bonding observed on Pd relative to Ru.

Tatarkhanov, Mouslim; Ogletree, D. Frank; Rose, Franck; Mitsui, Toshiyuki; Fomin, Evgeny; Rose, Mark; Cerda, Jorge I.; Salmeron, Miquel

2009-09-03T23:59:59.000Z

27

A molecular loop with interstitial channels in a chiral environment and study of formation of metal-metal bonds in dinickel, dipalladium and dititanium complexes  

E-Print Network (OSTI)

of the formation of metal-metal bonds was performed. Study of the one-electron bond obtained upon oxidation of Ni2 4+ and Pd2 4+ to Ni2 5+ and Pd2 5+, respectively, was made. The compounds synthesized were studied with various physical methods, such as X...

Ibragimov, Sergey

2006-08-16T23:59:59.000Z

28

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

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

Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. lm15moore.pdf More Documents & Publications NonDestructive Inspection of Adhesive Bonds...

29

Ceramic-Metal Bonding Research in Japan japanese metals laboratories are becoming materials  

E-Print Network (OSTI)

C, TiC and Si3N., coatings are being tested. The effect of hot isostatic pressing on coating and pistons. Finally, Dr. K. Yoshihara of NRIM has shown that AISI 321 stainless steel forms a TiC surface (50-nm) TiC coating significantly improves the bonding of Al20 3 or TiC to stainless steel

Eagar, Thomas W.

30

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

E-Print Network (OSTI)

ligands led to a family of unprecedented dirhodium complexes of general formula cis-[Rh_(2)(?-L)_(2)(CNCH_(3))_(6)]^(2+) (L = bridging ligand). These complexes exhibit unusually long Rh-Rh bond distances and short Rh-C (CH_(3)NC) contacts and exhibit...

Li, Zhanyong

2014-06-20T23:59:59.000Z

31

Half-metallic silicon nanowires: Multiple surface dangling bonds and nonmagnetic doping  

Science Journals Connector (OSTI)

By means of first-principles density functional theory calculations, we find that hydrogen-passivated ultrathin silicon nanowires (SiNWs) along the [100] direction with symmetrical multiple surface dangling bonds (SDBs) and boron doping can have a half-metallic ground state with 100% spin polarization, where the half-metallicity is shown to be quite robust against external electric fields. Under the circumstances with various SDBs, the H-passivated SiNWs can also be ferromagnetic or antiferromagnetic semiconductors. The present study not only offers a possible route to engineer half-metallic SiNWs without containing magnetic atoms but also sheds light on manipulating spin-dependent properties of nanowires through surface passivation.

Zhuo Xu; Qing-Bo Yan; Qing-Rong Zheng; Gang Su

2009-08-14T23:59:59.000Z

32

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

E-Print Network (OSTI)

isomers of product 2a-f. .................................................................. 89 Figure 34. The rearrangement between 2_iso6 and 2_iso3. ............................................. 92 Figure 35. The solvated ?G (kcal/mol) diagram... iso3 and iso6 for 2a-f (kcal/mol). ................ 91 Table 17. Results of energies differencesa between 2c_iso6 and 2c_iso3. ...................... 92 xv Table 18. Selected structural parameters of 2a from computations and experiments. (Bond...

Xu, Zhenggang

2014-07-25T23:59:59.000Z

33

Metal?Metal Multiply-Bonded Complexes of Technetium. 4.1 Photodissociation of the Tc?Tc Triple Bond in [Tc2(CH3CN)10][BF4]4  

Science Journals Connector (OSTI)

Laboratory for Molecular Structure and Bonding Department of Chemistry, Texas A&M University College Station, Texas 77843 Inorganic and Structural Chemistry Group (CST-3) Chemical Science and Technology Division Los Alamos National Laboratory Los Alamos, New Mexico 87545 ... The lowest energy transition appears at 330 nm and tails slightly into the visible region, giving concentrated solutions of 2 a faint yellow color. ... Attempts to thermally labilize one of the coordinated nitrile ligands in an effort to reform the metal?metal bond in the solid state resulted in decomposition of the complex. ...

F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger

1996-06-12T23:59:59.000Z

34

RHONEY, BRIAN KEITH. Cylindrical Wire Electrical Discharge Truing of Metal Bond Diamond Grinding Wheels. (Under the direction of Albert Shih)  

E-Print Network (OSTI)

Electrical Discharge Machining (EDM) to profile a metal bond diamond grinding wheel, and then study the wear to rotate the wheel inside a traditional wire EDM machine. Once the process proved feasible, grinding and grinding performance of the EDM trued wheel. Diamond wheels are known to exhibit low wheel wear

Shih, Albert J.

35

Transition-metal (Au, Pt, Ir, Re) bonding to Al,Si,Ge: X-ray-absorption studies  

Science Journals Connector (OSTI)

We report transition-metal (T) L2 and L3 near-edge x-ray-absorption spectroscopy measurements on more than a score of T-X compounds with T=Au, Pt, Ir, and Re and X=Al, Si, and Ge. We correlate the strength of the (2p?5d)-related ‘‘white line’’ feature at these edges to the degree of chemical-bonding-induced 5d-orbital charge transfer in these materials. Similar bonding trends are shown to be present in 1:2:2 compounds involving these T and X elements. Finally, the bonding-induced charge-transfer effects in such T-X compounds are discussed along with the Pauling electronegativity scale. [L. Pauling, The Nature of the Chemical Bond (Cornell University Press, New York, 1960), p. 93.

Y. Jeon, Boyun Qi, F. Lu, and M. Croft

1989-07-15T23:59:59.000Z

36

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

DOE Patents (OSTI)

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.

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

1988-01-01T23:59:59.000Z

37

Cation-Bonding and Protonation of the Fe[subscript 4]-Square Cluster  

SciTech Connect

The synthesis and characterization of discrete, molecular iron-oxo clusters is pursued in the interest of molecular magnets, bioinspired materials and models for the geochemical aqueous-mineral interface. Iron-oxo clusters are challenging to synthesize in water, due to the extremely acidic and reactive nature of dissolved iron species, and thus require chelating ligands to passivate and neutralize the cluster surface. The 2-hydroxy-1,3-N,N,N',N'-diamino-propanetetraacetic acid (HPDTA) ligand has been used to isolate several Al and Fe cluster geometries, including the square clusters Fe{sub 4}(HPDTA){sub 2} and Al{sub 4}(HPDTA){sub 2}. While prior reports on the Fe{sub 4}(HPDTA){sub 2} cluster have focused on the magnetic properties, no solution characterization has been carried out. Using electrospray ionization mass-spectrometry (ESI-MS) we show this anionic Fe{sub 4}(HPDTA){sub 2} cluster can be dissolved intact in water, and recrystallized with virtually any metal as a countercation. The bonding of the metal cation to the square face of the cluster trends with ionic radii of the cations, as shown by structural characterization of Fe{sub 4}(HPDTA){sub 2} with Li{sup +}, Na{sup +}, Cs{sup +}, Mg{sup 2+}, Ba{sup 2+}, La{sup 3+}, Eu{sup 3+}, and Zn{sup 2+}. This trend is similar to that observed for association of cations on metal oxide surfaces in the environment. Furthermore, protonation of the bridging oxo ligands of this series of Fe{sub 4}(HPDTA){sub 2} clusters is variable (0, 1, or 2 protons), and structures as a function of protonation is discussed. This paper, largely structural in nature, sets the foundation for future aqueous phase studies of iron-oxo molecular clusters as models for the oxide-water interface in the natural aqueous environment.

Hou, Yu; Rodriguez, Mark A.; Nyman, May (Sandia)

2012-04-30T23:59:59.000Z

38

Electron Density Distributions Calculated for the Nickel Sulfides Millerite, Vaesite, and Heazlewoodite and Nickel Metal: A Case for the Importance of Ni-Ni Bond Paths for  

E-Print Network (OSTI)

Electron Density Distributions Calculated for the Nickel Sulfides Millerite, Vaesite, and Heazlewoodite and Nickel Metal: A Case for the Importance of Ni-Ni Bond Paths for Electron Transport G. V. Gibbs point properties (the electron density (F) and the Hessian of F at the bond critical points (bcp

Downs, Robert T.

39

J. Am. Chem. SOC.1993, 115, 2357-2362 2357 Metal-Metal Bonding in Engel-Brewer Intermetallics  

E-Print Network (OSTI)

. Introduction Materials that exhibit high thermal stability and resistance to oxidation and corrosion of transition metals might possibly serve as both highly stable catalysts and as thermally stable, oxidation-resistant to be extremely thermally stable in the bulk form. We find the atomization energy of the ZrPt, cluster at its bulk

Carter, Emily A.

40

Ternary rare earth and actinoid transition metal carbides viewed as carbometalates  

SciTech Connect

Ternary carbides A{sub x}T{sub y}C{sub z} (A=rare earth metals and actinoids; T=transition metals) with monoatomic species C{sup 4-} as structural entities are classified according to the criteria (i) metal to carbon ratio, (ii) coordination number of the transition metal by carbon atoms, and (iii) the dimensionality of the anionic network [T{sub y}C{sub z}]{sup n-}. Two groups are clearly distinguishable, depending on the metal to carbon ratio. Those where this ratio is equal to or smaller than 2 may be viewed as carbometalates, thus extending the sequence of complex anions from fluoro-, oxo-, and nitridometalates to carbometalates. The second group, metal-rich carbides with metal to carbon ratios equal to or larger than 4 is better viewed as typical intermetallics (''interstitial carbides''). The chemical bonding properties have been investigated by analyzing the Crystal Orbital Hamilton Population (COHP). The chemical bonding situation with respect to individual T-C bonds is similar in both classes. The main difference is the larger number of metal-metal bonds in the crystal structures of the metal-rich carbides.

Dashjav, Enkhtsetseg [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Strasse 40, D-01187 Dresden (Germany); Kreiner, Guido [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Strasse 40, D-01187 Dresden (Germany); Schnelle, Walter [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Strasse 40, D-01187 Dresden (Germany); Wagner, Frank R. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Strasse 40, D-01187 Dresden (Germany); Kniep, Ruediger [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Strasse 40, D-01187 Dresden (Germany)], E-mail: Kniep@cpfs.mpg.de; Jeitschko, Wolfgang [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster, Wilhelm-Klemm-Strasse 8, D-48149 Muenster (Germany)], E-mail: jeitsch@uni-muenster.de

2007-02-15T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


41

Ab initio calculations in heterogeneous and homogeneous catalysis: I. Methanol to gasoline with ZSM-5. II. Carbonyl ligand effects on metal-metal bonds  

SciTech Connect

This thesis is composed of two studies in catalysis. The first is an exploration, using computational techniques, of the mechanism for the first carbon-carbon bond formation in the methanol to gasoline (MTG) reaction. The second is a study of the factors important to the understanding of ligand effects on metal-metal bonds, and in particular, to metal clusters. Three possibilities were considered as ways to activate a carbon in the MTG process prior to formation of C2 or higher hydrocarbons. These were a free radical mechanism, a surface ylide mechanism, and a possible defect site which might lead to steric crowding of CH[sub 2] groups. Although the free radical mechanism was found to be thermodynamically within the parameters of the MTG process, it contained a high transition state. Consideration of the molecules available prior to hydrocarbon build-up and their specific electronic structure, led to the view that the available carbon atoms (methanol, dimethyl ether, etc.) were unlikely to be activated by a free radical intermediate. The surface-stabilized ylide which has been proposed as an intermediate by many was studied to determine if in fact the ylide was stabilized. The total energy of the ylide was compared to that of the naked site on the zeolite and free methylene. Free methylene ranged, depending on the geometry of the ylide, between 50 and 80 kcal more stable. These numbers are qualitatively correct, but more electron correlation would have to be incorporated in the calculation to get an accurate value for the destabilization. Starting from a defect site, two CH[sub 2] groups were each attached to two oxygen atoms. It was thought that two CH[sub 2] groups would take up considerably more space than either than original Al atom or the four hydrogens. Molecular Mechanics calculations showed the zeolite to be sufficiently flexible to prevent crowding of the CH[sub 2]'s.

Miller, A.E.

1993-01-01T23:59:59.000Z

42

An Investigation of Bonding Mechanism in Metal Cladding by Warm Rolling  

E-Print Network (OSTI)

of other groups of dissimilar metal sheets. v DEDICATION This dissertation is dedicated to my mother Fuxia Liu, my father Benhua Yang and my wife Juan Yin. Thank you for all your love and support. vi ACKNOWLEDGEMENTS I would like to thank my...

Yang, Wei

2012-02-14T23:59:59.000Z

43

K{sub 6} carbon: A metallic carbon allotrope in sp{sup 3} bonding networks  

SciTech Connect

We identify by first-principles calculations a new cubic carbon phase in I4{sub 1}32 (O{sup 8}) symmetry, named K{sub 6} carbon, which has a six atom primitive cell comprising sp{sup 3} hybridized C{sub 3} triangle rings. The structural stability is verified by phonon mode analysis. The calculated elastic constants show that the K{sub 6} carbon is a high ductile material with a density even lower than graphite. Electronic band and density of states calculations reveal that it is a metallic carbon allotrope with a high electronic density of states of ?0.10 states/eV per atom at the Fermi level. These results broaden our understanding of the structural and electronic properties of carbon allotropes.

Niu, Chun-Yao; Wang, Xin-Quan; Wang, Jian-Tao, E-mail: wjt@aphy.iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)] [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

2014-02-07T23:59:59.000Z

44

Method Of Bonding A Metal Connection To An Electrode Including A Core Having A Fiber Or Foam Type Structure For An Electrochemical Cell, An  

SciTech Connect

A method of bonding a metal connection to an electrode including a core having a fiber or foam-type structure for an electrochemical cell, in which method at least one metal strip is pressed against one edge of the core and is welded thereto under compression, wherein, at least in line with the region in which said strip is welded to the core, which is referred to as the "main core", a retaining core of a type analogous to that of the main core is disposed prior to the welding.

Loustau, Marie-Therese (Bordeaux, FR); Verhoog, Roelof (Bordeaux, FR); Precigout, Claude (Lormont, FR)

1996-09-24T23:59:59.000Z

45

XAS Characterization of a Nitridoiron(IV) Complex With a Very Short Fe-N Bond  

SciTech Connect

X-ray absorption spectroscopy has been used to characterize the novel nitridoiron(IV) units in two [PhBP{sup R}{sub 3}]Fe(N) complexes (R = iPr and CyCH{sub 2}) and obtain direct spectroscopic evidence for a very short Fe-N distance. The distance of 1.51--1.55 {angstrom} reflects the presence of an Fe{triple_bond}N triple bond in accord with the observed Fe{triple_bond}N vibration observed for one of these species (v{sub FeN}=1034 cm{sup -1}). This highly covalent bonding interaction results in the appearance of an unusually intense pre-edge peak, whose estimated area of 100(20) units is much larger than those of the related tetrahedral complexes with Fe{sup I}-N{sub 2}-Fe{sup I}, Fe{sup II}-NPh{sub 2}, and Fe{sup III}{triple_bond}NAd motifs, and those of recently described six-coordinate Fe{sup V}{triple_bond}N and Fe{sup VI}{triple_bond}N complexes. The observation that the Fe{sup IV}-N distances of two [PhBP{sup R}{sub 3}]Fe(N) complexes are shorter than the Fe{sup IV}-O bond lengths of oxoiron(IV) complexes may be rationalized on the basis of the greater ? basicity of the nitrido ligand than the oxo ligand and a lower metal coordination number for the Fe(N) complex.

Rohde, J.-U.; Betley, T.A.; Jackson, T.A.; Saouma, C.T.; Peters, J.C.; Que, L.; Jr.

2009-06-04T23:59:59.000Z

46

Remote Functionalization of Carbon-Hydrogen and Carbon-Carbon Bonds by Bare Transition Metal Ions in the Gas Phase  

Science Journals Connector (OSTI)

The selective functionaIization of C-H bonds remains one of the major focuses of catalytic and organic chemistry. High selectivity is often achieved by the presence of activating groups which induce the reacti...

Gregor Czekay; Thomas Drewello; Karsten Eller…

1989-01-01T23:59:59.000Z

47

XAS Characterization of a Nitridoiron(IV) Complex with a Very Short Fe-N Bond  

SciTech Connect

X-ray absorption spectroscopy has been used to characterize the novel nitridoiron(IV) units in two [PhBP{sup R}{sub 3}]Fe(N) complexes (R = iPr and CyCH{sub 2}) and obtain direct spectroscopic evidence for a very short Fe-N distance. The distance of 1.51-1.55 {angstrom} reflects the presence of an Fe{triple_bond}N triple bond in accord with the observed Fe{triple_bond}N vibration observed for one of these species ({nu}{sub FeN} = 1034 cm{sup -1}). This highly covalent bonding interaction results in the appearance of an unusually intense pre-edge peak, whose estimated area of 100(20) units is much larger than those of the related tetrahedral complexes with Fe{sup I}-N{sub 2}-Fe{sup I}, Fe{sup II}-NPh{sub 2}, and Fe{sup III}NAd motifs, and those of recently described six-coordinate Fe{sup V}{triple_bond}N and Fe{sup VI}{triple_bond}N complexes. The observation that the Fe{sup IV}-N distances of two [PhBP{sup R}{sub 3}]Fe(N) complexes are shorter than the Fe{sup IV}-O bond lengths of oxoiron(IV) complexes may be rationalized on the basis of the greater {pi} basicity of the nitrido ligand than the oxo ligand and a lower metal coordination number for the Fe(N) complex.

Rohde,J.; Betley, T.; Jackson, T.; Saouma, C.; Peters, J.; Que, Jr., L.

2007-01-01T23:59:59.000Z

48

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

SciTech Connect

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.

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

2014-04-01T23:59:59.000Z

49

On the protonation of oxo- and hydroxo- groups of the goethite...  

NLE Websites -- All DOE Office Websites (Extended Search)

On the protonation of oxo- and hydroxo- groups of the goethite (a-FeOOH) surface: A FTIR spectroscopic investigation of surface On the protonation of oxo- and hydroxo- groups of...

50

Pt–metal oxide aerogel catalysts: X-ray photoemission investigation  

Science Journals Connector (OSTI)

X-ray photoemission spectroscopy was used to study Pt–metal oxide aerogel catalysts that have been developed to respond to increased NO x emissions of lean-burn engines. Lean-burn engines critical components of low and zero emission vehicles produce much higher levels of engine-out NO x and current three-way catalytic converters are not sufficient to meet Clean Air Act standards. Platinum catalysts were formed by the reaction of modified Pt coordination compounds with selected transition–metal alkoxides through sol–gel techniques into aerogels. Photoemission measurements of the Pt 4f Si 2p Ti 2p O 1s and C 1s core lines were used to evaluate the chemistry of the material after each processing step. Results indicate Pt–O bonding and reduced Pt disbursed in the aerogel. In addition Si 2p Ti 2p and O 1s binding energies indicate an oxo-bridged network structure.

A. J. Nelson; John G. Reynolds; R. D. Sanner; P. R. Coronado; L. M. Hair

2001-01-01T23:59:59.000Z

51

Bonding Tools  

Energy.gov (U.S. Department of Energy (DOE))

Bonds are one of the most common forms of financing used by state and local governments, because they are a low-cost source of capital available to most entities. State and local officials may consider using bonds for a variety of clean energy purposes, including...

52

Density functional theory of spin-coupled models for diiron-oxo proteins: Effects of oxo and hydroxo bridging on geometry, electronic  

E-Print Network (OSTI)

of their immediate N3O3 coordination. In addition, the diiron-oxo protein hemerythrin has been discussed. Theoretical well the antiferromagnetic behavior of azidomet- and azidometmyo-hemerythrin. Finally, the magnetic

McCusker, James K.

53

All-electron local-density theory of covalently bonded material adsorbed on metallic substrate: p(1×1) Si monolayer on W(001)  

Science Journals Connector (OSTI)

Results of self-consistent all-electron local-density-functional total-energy calculations of a Si monolayer on the W(001) surface employing the full-potential linearized augmented plane-wave method are presented. For an ordered p(1×1) overlayer of Si on the W(001) substrate we find a Si-W bond length of 2.59 A?, which is very close to that of bulk WSi2 (2.62 A?). Surprisingly, compared to that of the clean W(001) the work function is not changed appreciably as a result of the covalent bonding. The strong covalent bonding between the Si and W atoms is found to suppress the localized surface states of the clean W(001) surface. Si-W interface bonding states are found at the symmetry points ?¯ and M¯ in the surface Brillouin zone with binding energies of -10.5 and -7.8 eV, respectively.

Soon C. Hong; C. L. Fu; A. J. Freeman

1988-05-15T23:59:59.000Z

54

THE STATE OF MANGANESE IN THE PHOTOSYNTHETIC APPARATUS. I. EXAFS STUDIES ON CHLOROPLASTS AND di-u-oxo BRIDGED di-MANGANESE MODEL COMPOUNDS  

SciTech Connect

Extended X-ray Absorption Fine Structure (EXAFS) studies on the manganese contained in spinach chloroplasts and on certain di-u-oxo bridged manganese dimers of the form (X{sub 2}Mn)O{sub 2}(MnX{sub 2} (X=2,2'-bypyridine and 1,10-phenanthroline) are reported. From these studies, the manganese associated with photosynthetic oxygen evolution is suggested to occur as a bridged transition metal dimer with most likely another manganese. Extensive details on the analysis are included.

Kirby, J.A.; Robertson, A.S.; Smith, J.P.; Thompson, A.C.; Thompson, A.C.; Klein, M.P.

1980-11-01T23:59:59.000Z

55

JOURNAL DE PHYSIQUE Colloque C4, supplkment au no 10, Tome 38, octobre 1977, page C4-146 ADSORBED METAL LAYERS :STRUCTURE, WORK FUNCTION AND BONDING  

E-Print Network (OSTI)

JOURNAL DE PHYSIQUE Colloque C4, supplkment au no 10, Tome 38, octobre 1977, page C4-146 ADSORBED. - Adsorbate-substrate and adsorbate-adsorbate interactions determine the structure, the energetics, kinetics description of metal-metal adsorbate-substrate systems as a function of coverage still is not available

Paris-Sud XI, Université de

56

Hydrogen Bonded Arrays: The Power of Multiple Hydrogen Bonds...  

NLE Websites -- All DOE Office Websites (Extended Search)

Bonded Arrays: The Power of Multiple Hydrogen Bonds. Hydrogen Bonded Arrays: The Power of Multiple Hydrogen Bonds. Abstract: Hydrogen bond interactions in small covalent model...

57

Non-bonded ultrasonic transducer  

DOE Patents (OSTI)

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.

Eoff, J.M.

1984-07-06T23:59:59.000Z

58

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)

Fluoroorganic compounds play an integral role in everyday life due to their special chemical, biological and mechanical properties. 41 As present, about 30% of agrochemicals and 20% of pharmaceuticals contain fluorine, including drugs such as Lipitor... fundamental challenge to chemists, especially with regard to accomplishing it in a catalytic fashion and under mild conditions.47 The reasons for the challenge of C-F bond activation are the following.48 1) Fluorine is the most electronegative element...

Gu, Weixing

2012-02-14T23:59:59.000Z

59

Nanopatterning of metal-coated silicon surfaces via ion beam irradiation: Real time x-ray studies reveal the effect of silicide bonding  

SciTech Connect

We investigated the effect of silicide formation on ion-induced nanopatterning of silicon with various ultrathin metal coatings. Silicon substrates coated with 10 nm Ni, Fe, and Cu were irradiated with 200 eV argon ions at normal incidence. Real time grazing incidence small angle x-ray scattering (GISAXS) and x-ray fluorescence (XRF) were performed during the irradiation process and real time measurements revealed threshold conditions for nanopatterning of silicon at normal incidence irradiation. Three main stages of the nanopatterning process were identified. The real time GISAXS intensity of the correlated peaks in conjunction with XRF revealed that the nanostructures remain for a time period after the removal of the all the metal atoms from the sample depending on the binding energy of the metal silicides formed. Ex-situ XPS confirmed the removal of all metal impurities. In-situ XPS during the irradiation of Ni, Fe, and Cu coated silicon substrates at normal incidence demonstrated phase separation and the formation of different silicide phases that occur upon metal-silicon mixing. Silicide formation leads to nanostructure formation due the preferential erosion of the non-silicide regions and the weakening of the ion induced mass redistribution.

El-Atwani, Osman [School of Materials Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Gonderman, Sean; Suslova, Anastassiya; Fowler, Justin; El-Atwani, Mohamad [School of Nuclear Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); DeMasi, Alexander; Ludwig, Karl [Physics Department, Boston University, Boston, Massachusetts 02215 (United States); Paul Allain, Jean [School of Materials Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); School of Nuclear Engineering, Purdue University, West Lafayette, Indiana 47907 (United States)

2013-03-28T23:59:59.000Z

60

Process Of Bonding Copper And Tungsten  

DOE Patents (OSTI)

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.

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

2000-07-18T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


61

12-Oxo-Phytodienoic Acid Accumulation during Seed Development Represses Seed Germination in Arabidopsis  

Science Journals Connector (OSTI)

...synthase (AOS) and allene oxide cyclase (AOC) in the plastid. Dinor-oxo-phytodienoic...to the wild type (Table 1). A second AOC gene, AOC1, and the AOS gene were downregulated...Also, constitutive overexpression of AOC leads to accumulation of JA, OPDA, and...

Anuja Dave; M. Luisa Hernández; Zhesi He; Vasilios M.E. Andriotis; Fabián E. Vaistij; Tony R. Larson; Ian A. Graham

2011-02-18T23:59:59.000Z

62

Chemical conversions of butyraldehydes during separation of the products of oxo synthesis  

SciTech Connect

It was shown that aldol condensation and formation of acetals occur during isolation of butyraldehydes by continuous fractionation of the products of oxo synthesis. Aldehyde losses due to chemical conversions decrease with increase of temperature in the reboiler, and may be virtually eliminated, while the selectivity of formation of the products of aldol condensation increases.

Kuz'mina, L.S.; Maiorova, L.V.; Katsnel'son, M.G.; Kharisov, M.A.

1987-07-10T23:59:59.000Z

63

Biomass Gasification-Based Syngas Production for a Conventional Oxo Synthesis Plant—Process Modeling, Integration Opportunities, and Thermodynamic Performance  

Science Journals Connector (OSTI)

Biomass Gasification-Based Syngas Production for a Conventional Oxo Synthesis Plant—Process Modeling, Integration Opportunities, and Thermodynamic Performance ... A small amount of steam (0.4 kton·y–1) is used to control the burner temperature. ...

Maria Arvidsson; Matteo Morandin; Simon Harvey

2014-05-07T23:59:59.000Z

64

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

SciTech Connect

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.

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

2013-09-15T23:59:59.000Z

65

Process Of Bonding Copper And Tungsten  

DOE Patents (OSTI)

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.

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

1999-11-23T23:59:59.000Z

66

AdhesiveBonding.qrk  

NLE Websites -- All DOE Office Websites (Extended Search)

Adhesive Bonding Adhesive Bonding Manufacturing Technologies Understanding and controlling the factors that affect adhesion is vital for ensuring consistent successful bonding operations. The Manufacturing Science and Technology Center's research into adhesion is focused on achieving a good initial bond and then understanding the mechanisms leading to eventual bond failure. The department is working to understand crack propagation at the interface and has developed a variety of mechanical testing techniques to evalu- ate this failure mode. The factors affecting wetting and formation of the bond (e.g., contamination, surface roughness) are being explored to further our knowledge. In addition to research into adhesion, we bond and join components for our cus- tomers. Researchers have formulated new

67

Private Activity Revenue Bonds (Maryland)  

Energy.gov (U.S. Department of Energy (DOE))

Private Activity Revenue Bonds are available in the form of both taxable bonds and tax-exempt bonds. Both types of bonds provide access to long-term capital markets for fixed asset financing....

68

Method of making sintered ductile intermetallic-bonded ceramic composites  

DOE Patents (OSTI)

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.

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

1999-05-18T23:59:59.000Z

69

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

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.

Govindasamy, Agalya [University of Cincinnati; Muthukumar, Kaliappan [University of Cincinnati; Yu, Junjun [University of Cincinnati; Xu, Ye [ORNL; Guliants, Vadim V. [University of Cincinnati

2010-01-01T23:59:59.000Z

70

Do Main Chain Hydrogen Bonds Create Dominant Electron Transfer Pathways?  

NLE Websites -- All DOE Office Websites (Extended Search)

Main Chain Hydrogen Bonds Create Dominant Electron Transfer Pathways? An Main Chain Hydrogen Bonds Create Dominant Electron Transfer Pathways? An Investigation in Designed Proteins Yongjian Zheng, Martin A. Case, James F. Wishart, and George L. McLendon J. Phys. Chem. B, 107, 7288-7292 (2003). [Find paper at ACS Publications] Abstract: We have investigated the contribution of main chain hydrogen bond (H-bond) pathways to the tunneling matrix elements which control electron transfer (ET) rates across an alpha-helical protein matrix. The paradigm system for these investigations is a metal ion-assembled parallel three-helix bundle protein that contains a ruthenium(II) tris(bipyridyl) electron donor and a ruthenium(III) pentammine electron acceptor separated by a direct metal to metal distance of ca. 19 Ã…, requiring tunneling through 15 Ã… of

71

Qualified Energy Conservation Bonds  

Energy.gov (U.S. Department of Energy (DOE))

A Qualified Energy Conservation Bond (QECB) is a bond that enables qualified state, tribal, and local government issuers to borrow money at attractive rates to fund energy conservation projects (it is important to note that QECBs are not grants). A QECB is among the lowest-cost public financing tools because the U.S. Department of the Treasury subsidizes the issuer's borrowing costs.

72

Preparation and characterization of chiral metal-metal bonded compounds  

E-Print Network (OSTI)

of these ligands. Trans-1, 2-bis-( dichlor ophos hino) cylopentane. ( 1) . Phosphorus trichloride (68 mL), yellow P (5. 8g) and cyclopentene (47 mL) wer e heated together in a Parr 300 mL "mini" reactor at 215'C for 40 hour s. The resulting yellow liquid...-bis-(dimethylphosphino)-cyclopentane spontaneously oxidizes on exposure to the air. Trans-1, 2-bis-(dichlorophos hino)cyclohexane (5). Phosphorus trichloride (85 mL), yellow P (7, 25 g) and cyclohexene (44 mL) wer e heated together in a Parr 300 m...

Gibson, Elaine Claire

2012-06-07T23:59:59.000Z

73

Dinuclear Metalloradicals Featuring Unsupported Metal-Metal Bonds...  

NLE Websites -- All DOE Office Websites (Extended Search)

(PNNL) is a multiprogram national laboratory operated for DOE by Battelle. The EPR and computational studies were performed using EMSL, a national scientific user...

74

Bonded ultrasonic transducer and method for making  

DOE Patents (OSTI)

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.

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

1995-11-14T23:59:59.000Z

75

Bonded ultrasonic transducer and method for making  

DOE Patents (OSTI)

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.

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

1995-01-01T23:59:59.000Z

76

Wafer-Level Thermocompression Bonds  

E-Print Network (OSTI)

Thermocompression bonding of gold is a promising technique for achieving low temperature, wafer-level bonding without the application of an electric field or complicated pre-bond cleaning procedure. The presence of a ductile ...

Tsau, Christine H.

77

Characterization of anodic bonding  

E-Print Network (OSTI)

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 ...

Tudryn, Carissa Debra, 1978-

2004-01-01T23:59:59.000Z

78

The New Chemical Bond  

NLE Websites -- All DOE Office Websites (Extended Search)

off when the first convincing experimental evidence of the phi bond showed up for the thorium sandwich complex, as revealed by its elaborate, never-before-seen symmetry. The...

79

Qualified Energy Conservation Bonds  

Energy.gov (U.S. Department of Energy (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

80

Water's Hydrogen Bond Strength  

E-Print Network (OSTI)

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.

Martin Chaplin

2007-06-10T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


81

Sequence-Dependent Variation in the Reactivity of 8-Oxo-7,8-dihydro-2?-deoxyguanosine toward Oxidation  

E-Print Network (OSTI)

The goal of this study was to define the effect of DNA sequence on the reactivity of 8-oxo-7,8-dihydro-2?-deoxyguanosine (8-oxodG) toward oxidation. To this end, we developed a quadrupole/time-of-flight (QTOF) mass ...

Lim, Kok Seong

82

Stocks, bonds and the  

Science Journals Connector (OSTI)

In this paper, we investigate the relative performance of stocks and bonds for various investment horizons on the French market. We use a new matched block bootstrap approach to take account of estimation risk. Furthermore, in the light of non-normality of returns, we use two different risk approaches as inputs in portfolio optimization: the traditional variance, and a downside risk measure, the semi-variance. Our results suggest that an investor should avoid bonds in the long run due to the time diversification effect.

Gilles Sanfilippo

2003-01-01T23:59:59.000Z

83

Photochemical tissue bonding  

DOE Patents (OSTI)

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.

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

2012-01-10T23:59:59.000Z

84

Thread bonds in molecules  

E-Print Network (OSTI)

Unusual chemical bonds are proposed. Each bond is almost covalent but is characterized by the thread of a small radius $\\sim 0.6\\times 10^{-11}$cm, between two nuclei in a molecule. The main electron density is concentrated outside the thread as in a covalent bond. The thread is formed by the electron wave function which has a tendency to be singular on it. The singularity along the thread is cut off by electron "vibrations" due to the interaction with zero point electromagnetic oscillations. The electron energy has its typical value of (1-10)eV. Due to the small tread radius the uncertainty of the electron momentum inside the thread is large resulting in a large electron kinetic energy $\\sim 1 MeV$. This energy is compensated by formation of a potential well due to the reduction of the energy of electromagnetic zero point oscillations. This is similar to formation of a negative van der Waals potential. Thread bonds are stable and cannot be created or destructed in chemical or optical processes.

Ivlev, B

2015-01-01T23:59:59.000Z

85

Atomic and electronic structure of simple metal/graphene and complex metal/graphene/metal interfaces  

Science Journals Connector (OSTI)

Structural, electronic, and magnetic properties of simple interfaces (graphene on top of a metallic substrate) and complex interfaces (a single metallic adlayer on a simple graphene/metal system, either on top or between the graphene and metallic substrate) have been studied using density functional theory. Two types of simple interface with strong (Ni/graphene) and weak (Cu/graphene) bonding were considered. In addition to binding energies and interface distances, which are used to quantify the strength of graphene-substrate interactions, the bonding in simple and complex interfaces was analyzed using charge density distributions and bond orders. Substantial enhancement of the metallic substrate/graphene binding was observed in complex interfaces, consisting of a Ni monolayer on top of a simple {Ni or Cu}/graphene interface. The increase of substrate-graphene bonding in such complex interfaces is accompanied by weakening of in-plane C-C bonds in graphene, as quantified by the bond orders. A weak ferrimagnetism in graphene, i.e., unequal magnetic moments ?0.04?B and +0.06?B on the C atoms, is induced by a ferromagnetic Ni substrate. The strength of graphene-substrate interactions is also reflected in simulated scanning tunneling microscopy images.

Lyudmyla Adamska; You Lin; Andrew J. Ross; Matthias Batzill; Ivan I. Oleynik

2012-05-22T23:59:59.000Z

86

Reaction of SC+, Ti+, and V+ with CO. MC+ and MO+ bond energies D. E. Clemmer, J. L. Elkind,") N. Aristov,b) and P. B. Armentrout")  

E-Print Network (OSTI)

the first-row diatomic transition- metal-oxide ions.' The most reliable bond energies for ScO+ , Ti beenmade previously.3*4Thesereaction systemsalso pro- vide bond energiesfor the ionic metal carbides function of translational energy in a guided-ion-beamtandemmassspectrometer.Formation of both metal

Clemmer, David E.

87

Selective Metal-Assisted Oxidative Cleavage of a C?N Bond:? Synthesis and Characterization of the Mononuclear Iron(III) [Fe(BPG)Cl2] Complex and Its Two [Fe(BPA)Cl3] and [Fe(BPE)Cl3] Derivatives  

Science Journals Connector (OSTI)

Selective Metal-Assisted Oxidative Cleavage of a C?N Bond:? Synthesis and Characterization of the Mononuclear Iron(III) [Fe(BPG)Cl2] Complex and Its Two [Fe(BPA)Cl3] and [Fe(BPE)Cl3] Derivatives† ... By this process, according to two different synthetic procedures, the corresponding iron(III) [Fe(BPG)Cl2] complex is transformed to either the iron(III) [Fe(BPA)Cl3] complex (BPA = bis(2-pyridylmethyl)amine) or the iron(III) [Fe(BPE)Cl3] complex (BPE = methyl(bis(2-pyridylmethyl)amino)acetate). ... The corresponding iron(III) [Fe(BPG)Cl2] complex (1) is transformed to the iron(III) [Fe(BPA)Cl3] complex (2) with the tridentate BPA ligand (BPA = bis(2-pyridylmethyl)amine) retaining only two pyridine pendant groups, while the initial BPG carboxylate group is transformed to glyoxylic acid. ...

Marie-Carmen Rodriguez; François Lambert; Irène Morgenstern-Badarau; Michèle Cesario; Jean Guilhem; Bineta Keita; Louis Nadjo

1997-07-30T23:59:59.000Z

88

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

E-Print Network (OSTI)

, with late transition-metal elements. Early transition-metal carbides of the same composition do not exist Choices in Some Binary and Ternary Metal Carbides 83 Jing Li and Roald Hoffmann* Department of Chemistry The dimeric Czunit has been found in many binary and ternary metal carbide systems. The C-C bond length

Li, Jing

89

Albert Bond | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Bond - Project Officer, Golden Field Office Albert Bond is a Project Officer at the Golden Field Office. Most Recent New Choctaw Nation Recycling Center Posts Quick Results March 8...

90

Opportunities in Bond Financing  

NLE Websites -- All DOE Office Websites (Extended Search)

Opportunities in Bond Financing Opportunities in Bond Financing James Dack Vice President Alternative Energy Finance Group Stern Brothers & Co. Seattle, WA 98101 Biogas and Fuel Cells Workshop National Renewable Energy Laboratory Golden, Colorado June 11-13, 2012 2 INTRODUCTION * Stern Brothers, founded in 1917 and headquartered in St. Louis, is an investment banking firm that is focused on project financing (taxable and tax-exempt) for renewable energy, real estate, higher education and healthcare. * Stern's Alternative Energy Finance Group structures and places tax- exempt and taxable debt, and provides financial advisory services for renewable energy projects in the U.S. * Waste-to-energy, second generation biofuels, biochemicals, biomass, solar, wind, landfill gas-to-energy, cogen, CHP, hydro,

91

Preparation, properties and chemistry of glass- and glass-ceramic-to-metal seals and coatings  

Science Journals Connector (OSTI)

An overview is given outlining the materials and technologies that have been employed in the preparation of glass- and glass-ceramic-to-metal seals and coatings. Metal/non-metal bonding theories are summarized...

I. W. Donald

1993-06-01T23:59:59.000Z

92

Structural and bonding trends in platinum-carbon clusters  

E-Print Network (OSTI)

. Trends in stability, Pt+-Cx binding energy, doublet-quartet excitation energy, and Pt-C bond lengths were investigated. Explanations for these patterns are provided in terms of orbital interactions and changes imposed on the carbon-chain by the metal...

Miller, Thomas F

2013-02-22T23:59:59.000Z

93

Partial-Transient-Liquid-Phase Bonding of Advanced Ceramics Using Surface-Modified Interlayers  

E-Print Network (OSTI)

of Thermal Residual Stresses in Joining Ceramics with ThinIn ceramic/metal/ceramic bonds that undergo thermal cycling,cooling or thermal cycling of the component. Ceramics are

Reynolds, Thomas Bither

2012-01-01T23:59:59.000Z

94

Experimental and Theoretical Examination of C-CN Bond Activation of Benzonitrile Using Zerovalent Nickel  

E-Print Network (OSTI)

are important in industrial petroleum refining.1 The transition metal catalyzed activation of C-C bonds has been used in organic synthesis, for which the beneficial features of atom economy and chemoselectivity have

Jones, William D.

95

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

Science Journals Connector (OSTI)

Understanding and controlling bond-breaking sequences of oxygenates on transition metal catalysts can greatly impact the utilization of biomass feedstocks for fuels and chemicals. ...

Michael Salciccioli; Weiting Yu; Mark A. Barteau; Jingguang G. Chen; Dionisios G. Vlachos

2011-04-28T23:59:59.000Z

96

Energetics of Homogeneous Intermolecular Vinyl and Allyl Carbon-Hydrogen Bond Activation by the  

E-Print Network (OSTI)

of alkanes for both industrial and synthetic applications. While the goal of catalytic activation-H bonds,4 few have allowed for quantification of activated products crucial to the assessment of a C-H bond to a coordinatively unsaturated late-metal center (d8 Rh and Ir), generating a relatively

Jones, William D.

97

THE COORDINATION CHEMISTRY OF METAL SURFACES  

SciTech Connect

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.

Muetterties, Earl L.

1980-10-01T23:59:59.000Z

98

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

SciTech Connect

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.

Mindiola, Daniel J.

2014-05-07T23:59:59.000Z

99

Tax credits, exempt bonds hit  

Science Journals Connector (OSTI)

Tax credits, exempt bonds hit ... A tax credit permits a taxpayer to deduct a certain amount from his final tax bill. ...

1967-03-06T23:59:59.000Z

100

Metal deposition using seed layers  

DOE Patents (OSTI)

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.

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

2013-11-12T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


101

Theory of the alkali-metal chemisorption on metal surfaces  

Science Journals Connector (OSTI)

The electronic structure of the alkali-metal adatom on metal surfaces is studied by a first-principles method as a function of adatom coverage (?). We employ ‘‘jellium’’ as a high-density metal substrate to make a continuous change of ? possible. Although the characteristic variation of the work function with ? is reproduced well by the present calculation, its mechanism is different from a widely accepted mechanism in which the adatom electronic structure is assumed to change from ionic to neutral with increasing ? by the depolarization shift. The charge redistribution ??(r,?) that lowers the work function deviates far from the point-charge-transfer model, and the electrostatic potential change at adatom sites due to ??(r,?) depends very little on ?. Accordingly, the adatom valence density of states shows no downward shift with increasing ?. The adatom region is essentially neutral, even at low ?. The bonding-antibonding boundary in the bond-order density of the adatom-substrate bond coincides well with the Fermi level at low ?, indicating a formation of a metallic bond by the maximum use of bonding states even at low ?. The close similarity between the calculated bond-order and dipole densities as a function of the one-electron energy implies that the adatom polarization due to the hybridization of adatom and substrate orbitals plays an important role for the adatom dipole and its ? dependence even at low ?. The decrease of the adatom dipole is explained by a weakening of the adatom-substrate bonding as well as a significant decrease in the dipole matrix elements with increasing ?.

H. Ishida

1988-10-15T23:59:59.000Z

102

Bond Programs | Open Energy Information  

Open Energy Info (EERE)

source source History View New Pages Recent Changes All Special Pages Semantic Search/Querying Get Involved Help Apps Datasets Community Login | Sign Up Search Page Edit History Facebook icon Twitter icon » Bond Programs Jump to: navigation, search Bonds allow governments (and corporations) to raise money by borrowing. A few states and local governments have established bond programs to support energy efficiency and renewable energy for government-owned facilities. After a government has raised an authorized sum of money through the sale of bonds, the money collected is used to improve energy efficiency or to install renewable energy systems on government facilities. The bonding authority is usually reimbursed using the energy savings resulting from these projects. [1]

103

Quantum Confinement in Hydrogen Bond  

E-Print Network (OSTI)

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.

Santos, Carlos da Silva dos; Ricotta, Regina Maria

2015-01-01T23:59:59.000Z

104

A Mild C-O Bond Formation Catalyzed by a Rhenium-Oxo Complex Benjamin D. Sherry, Alexander T. Radosevich, and F. Dean Toste*  

E-Print Network (OSTI)

to enones,7 we postulated that an allenolate intermediate8 (1) could undergo SN2 addition of a nucleophile9, a ruthenium- catalyzed propargylic etherification5a has been reported; however, this reaction is limited of complexes as catalysts for organic reactions6 led us to consider them as catalysts for propargyl

Toste, Dean

105

Method for vacuum fusion bonding  

DOE Patents (OSTI)

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.

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

2001-01-01T23:59:59.000Z

106

Fusion bonding and alignment fixture  

DOE Patents (OSTI)

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.

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

2000-01-01T23:59:59.000Z

107

Nanocomposite of graphene and metal oxide materials  

SciTech Connect

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.

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

2012-09-04T23:59:59.000Z

108

Stabilization of Electrocatalytic Metal Nanoparticles at Metal...  

NLE Websites -- All DOE Office Websites (Extended Search)

Electrocatalytic Metal Nanoparticles at Metal-Metal Oxide-Graphene Triple Junction Points. Stabilization of Electrocatalytic Metal Nanoparticles at Metal-Metal Oxide-Graphene...

109

New Clean Renewable Energy Bonds | Department of Energy  

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

New Clean Renewable Energy Bonds New Clean Renewable Energy Bonds New clean renewable energy bonds (CREBs) are tax credit bonds, the proceeds of which are used for capital...

110

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

Energy Savers (EERE)

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

111

Covalent Bonding in Actinide Sandwich Molecules  

NLE Websites -- All DOE Office Websites (Extended Search)

Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide...

112

Magnetic Testing of Bonded Magnets  

Science Journals Connector (OSTI)

Many techniques exist to characterize the magnetic properties of bonded magnets. We will review the common and not so common techniques in use, with emphasis on the advantages and disadvantages of each one, an...

S. R. Trout

2003-01-01T23:59:59.000Z

113

Adhesion, Atomic Structure, and Bonding at theAdhesion, Atomic Structure, and Bonding at the ----AlAl22OO33(0001)/Al(111) Interface:(0001)/Al(111) Interface  

E-Print Network (OSTI)

Adhesion, Atomic Structure, and Bonding at theAdhesion, Atomic Structure, and Bonding at the ----AlAl22OO33(0001)/Al(111) Interface:(0001)/Al(111) Interface: A First Principles StudyA First Principles--ceramic interfaces are ubiquitous in many industrial applications: ­ Microelectronics ­ Al and other metals

Adams, James B

114

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

E-Print Network (OSTI)

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 ...

Lim, Kok Seong

115

IEEE TRANSACTIONS ON ADVANCED PACKAGING, VOL. 32, NO. 2, MAY 2009 461 Ultrasonic Bonding for MEMS Sealing and Packaging  

E-Print Network (OSTI)

, dissimilar materials such as ceramic and metal plates can be joined together with this method [8]. Ultrasonic utilizing the solid phase vibration and welding process to bond two elements rapidly at low temperature. Two purely mechanical vibration energy to enable low temperature bonding between similar or dissimilar

Lin, Liwei

116

Method for joining carbon-carbon composites to metals  

DOE Patents (OSTI)

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.

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

1997-07-15T23:59:59.000Z

117

Method for joining carbon-carbon composites to metals  

DOE Patents (OSTI)

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.

Lauf, Robert J. (Oak Ridge, TN); McMillan, April D. (Knoxville, TN); Moorhead, Arthur J. (Knoxville, TN)

1997-01-01T23:59:59.000Z

118

Metal interactions and activities of truncated and extended hammerhead ribozyme constructs  

E-Print Network (OSTI)

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...

Osborne, Edith Marie

2007-04-25T23:59:59.000Z

119

Metal Aminoboranes  

NLE Websites -- All DOE Office Websites (Extended Search)

Metal Aminoboranes Metal Aminoboranes Metal Aminoboranes Metal aminoboranes of the formula M(NH.sub.2BH.sub.3).sub.n have been synthesized. June 25, 2013 Metal Aminoboranes Metal aminoboranes of the formula M(NH.sub.2BH.sub.3).sub.n have been synthesized. Available for thumbnail of Feynman Center (505) 665-9090 Email Metal Aminoboranes 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. U.S. Patent No.: 7,713,506 (DOE S-112,798)

120

Understanding Structure and Bonding of Multilayered Metal-Organic Nanostructures  

E-Print Network (OSTI)

, Victor G. Ruiz, Wissam A. Saidi,§ Tomas Bucko,, Alexandre Tkatchenko, and Egbert Zojer, * Institute

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


121

Understanding Structure and Bonding of Multilayered Metal–Organic Nanostructures  

Science Journals Connector (OSTI)

David A. Egger †, Victor G. Ruiz ‡, Wissam A. Saidi §, Tomáš Bu?ko ??, Alexandre Tkatchenko ‡, and Egbert Zojer †* ... Wissam A. Saidi ... Wissam A. Saidi ...

David A. Egger; Victor G. Ruiz; Wissam A. Saidi; Tomáš Bu?ko; Alexandre Tkatchenko; Egbert Zojer

2013-01-08T23:59:59.000Z

122

Shaking the bonds: Atomic vibrations drive insulator to metal...  

NLE Websites -- All DOE Office Websites (Extended Search)

phase stability for more than 50 years. When heated to just above room temperature, the material undergoes an abrupt transformation from an electrical insulator to a conducting...

123

Excimer-laser surface treatment of metals for improved adhesion  

Science Journals Connector (OSTI)

Excimer-laser-induced ablation has been used to produce surface structuring of various metals. Such structuring contributed to a 5–15% enhancement of the bonding strength of these...

Henari, Fryad; Blau, Werner

1995-01-01T23:59:59.000Z

124

Materials Science and Engineering A 496 (2008) 501-506 Joining Ceramics to Metals  

E-Print Network (OSTI)

ductility enhances the resistance of the joint to thermal cycling; AlN-Inconel 600 bonds exhibited good thermal shock resistance. Alumina- stainless steel bonds withstood more that 60 thermal cycles between 200Materials Science and Engineering A 496 (2008) 501-506 1 Joining Ceramics to Metals using Metallic

Cambridge, University of

125

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

DOE Patents (OSTI)

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.

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

2013-10-22T23:59:59.000Z

126

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

SciTech Connect

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.

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

2014-09-16T23:59:59.000Z

127

Method for providing adhesion to a metal surface  

DOE Patents (OSTI)

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.

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

1992-02-18T23:59:59.000Z

128

Long Range Bond-Bond Correlations in Dense Polymer Solutions  

Science Journals Connector (OSTI)

The scaling of the bond-bond correlation function P1(s) along linear polymer chains is investigated with respect to the curvilinear distance s along the flexible chain and the monomer density ? via Monte Carlo and molecular dynamics simulations. Surprisingly, the correlations in dense three-dimensional solutions are found to decay with a power law P1(s)?s-? with ?=3/2 and the exponential behavior commonly assumed is clearly ruled out for long chains. In semidilute solutions, the density dependent scaling of P1(s)?g-?0(s/g)-? with ?0=2-2?=0.824 (?=0.588 being Flory's exponent) is set by the number of monomers g(?) in an excluded volume blob. Our computational findings compare well with simple scaling arguments and perturbation calculation. The power-law behavior is due to self-interactions of chains caused by the chain connectivity and the incompressibility of the melt.

J. P. Wittmer; H. Meyer; J. Baschnagel; A. Johner; S. Obukhov; L. Mattioni; M. Müller; A. N. Semenov

2004-09-29T23:59:59.000Z

129

Bond strength and stress measurements in thermal barrier coatings  

SciTech Connect

Thermal barrier coatings have been used extensively in aircraft gas turbines for more than 15 years to insulate combustors and turbine vanes from the hot gas stream. Plasma sprayed thermal barrier coatings (TBCs) provide metal temperature reductions as much as 300{degrees}F, with improvements in durability of two times or more being achieved. The introduction of TBCs deposited by electron beam physical vapor deposition (EB-PVD) processes in the last five years has provided a major improvement in durability and also enabled TBCs to be applied to turbine blades for improved engine performance. This program evaluates the bond strength of yttria stabilized zirconia coatings with MCrAlY and Pt-Al bond coats utilizing diffraction and fluorescence methods.

Gell, M.; Jordan, E.

1995-12-31T23:59:59.000Z

130

Method of measuring metal coating adhesion  

DOE Patents (OSTI)

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.

Roper, John R. (Northglenn, CO)

1985-01-01T23:59:59.000Z

131

State Bond Program | Open Energy Information  

Open Energy Info (EERE)

Bonds allow governments (and corporations) to raise money by borrowing. A Bonds allow governments (and corporations) to raise money by borrowing. A few states and local governments have established bond programs to support energy efficiency and renewable energy for government-owned facilities. After a government has raised an authorized sum of money through the sale of bonds, the money collected is used to improve energy efficiency or to install renewable energy systems on government facilities. The bonding authority is usually reimbursed using the energy savings resulting from these projects. [1] State Bond Program Incentives CSV (rows 1 - 7) Incentive Incentive Type Place Applicable Sector Eligible Technologies Active Energy Efficiency & Renewable Energy Bond Program (New Mexico) State Bond Program New Mexico Schools

132

The Market for Borrowing Corporate Bonds  

E-Print Network (OSTI)

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 ...

Asquith, Paul

133

Study of bump bonding technology  

SciTech Connect

Pixel detectors proposed for the new generation of hadron collider experiments will use bump-bonding technology based on either indium or Pb/Sn solder to connect the front-end readout chips to the silicon pixel sensors. We have previously reported large-scale tests of the yield using both indium and Pb/Sn solder bump [1]. The conclusion is that both seem to be viable for pixel detectors. We have also carried out studies of various effects (e.g. storage over long period, effect of heating and cooling, and radiation) on both types of bump bonds using daisy-chained parts on a small scale [2], [3]. Overall, these tests showed little changes in the integrity of the bump connections. Nevertheless, questions still remain on the long-term reliability of the bumps due to thermal cycle effects, attachment to a substrate with a different coefficient of thermal expansion (CTE), and radiation.

Selcuk Cihangir et al.

2003-10-17T23:59:59.000Z

134

Bonded, walk-off compensated optical elements  

DOE Patents (OSTI)

A bonded, walk-off compensated crystal, for use with optical equipment, and methods of making optical components including same.

Ebbers, Christopher A. (Livermore, CA)

2003-04-08T23:59:59.000Z

135

Interaction of an aluminum atom with a closed subshell metal atom: Spectroscopic analysis of AlZn  

E-Print Network (OSTI)

Interaction of an aluminum atom with a closed subshell metal atom: Spectroscopic analysis of Al-block main group element, aluminum, and the 3d series of transi- tion metal atoms. Although the bonding in Al

Morse, Michael D.

136

Doping Graphene with Metal Contacts  

Science Journals Connector (OSTI)

Making devices with graphene necessarily involves making contacts with metals. We use density functional theory to study how graphene is doped by adsorption on metal substrates and find that weak bonding on Al, Ag, Cu, Au, and Pt, while preserving its unique electronic structure, can still shift the Fermi level with respect to the conical point by ?0.5??eV. At equilibrium separations, the crossover from p-type to n-type doping occurs for a metal work function of ?5.4??eV, a value much larger than the graphene work function of 4.5 eV. The numerical results for the Fermi level shift in graphene are described very well by a simple analytical model which characterizes the metal solely in terms of its work function, greatly extending their applicability.

G. Giovannetti; P. A. Khomyakov; G. Brocks; V. M. Karpan; J. van den Brink; P. J. Kelly

2008-07-10T23:59:59.000Z

137

Metal inks  

DOE Patents (OSTI)

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.

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

2014-02-04T23:59:59.000Z

138

Explosion bonding of dissimilar materials for fabricating APS front end components: Analysis of metallurgical and mechanical properties and UHV applications  

SciTech Connect

The front end beamline section contains photon shutters and fixed masks. These components are made of OFHC copper and GlidCOP AL-15. Stainless steels (304 or 316) are also used for connecting photon shutters and fixed masks to other components that operate in the ultrahigh vacuum system. All these dissimilar materials need to be joined together. However, bonding these dissimilar materials is very difficult because of their different mechanical and thermal properties and incompatible metallurgical properties. Explosion bonding is a bonding method in which the controlled energy of a detonating explosive is used to create a metallurgical bond between two or more similar or dissimilar materials. No intermediate filler metal, for example, a brazing compound or soldering alloy, is needed to promote bonding, and no external heat need be applied. A study of the metallurgical and mechanical properties and YGV applications of GlidCop AL-15, OFHC copper, and 304 stainless steel explosion-bonded joints has been done. This report contains five parts: an ultrasonic examination of explosion-bonded joints and a standard setup; mechanical-property and thermal-cycle tests of GlidCop AL-15/304 stainless steel explosion-bonded joints; leak tests of a GlidCop AL-15/304 stainless steel explosion-bonded interfaces for UHV application; metallurgical examination of explosion-bonded interfaces and failure analysis, and discussion and conclusion.

Li, Yuheng; Shu, Deming; Kuzay, T.M.

1994-06-15T23:59:59.000Z

139

Method of making cascaded die mountings with springs-loaded contact-bond options  

DOE Patents (OSTI)

A cascaded die mounting device and method using spring contacts for die attachment, with or without metallic bonds between the contacts and the dies, is disclosed. One embodiment is for the direct refrigerant cooling of an inverter/converter carrying higher power levels than most of the low power circuits previously taught, and does not require using a heat sink.

Hsu, John S. (Oak Ridge, TN); Adams, Donald J. (Knoxville, TN); Su, Gui-Jia (Knoxville, TN); Marlino, Laura D. (Oak Ridge, TN); Ayers, Curtis W. (Kingston, TN); Coomer, Chester (Knoxville, TN)

2007-06-19T23:59:59.000Z

140

Metal Oxides  

Science Journals Connector (OSTI)

Metal oxides are the class of materials having the widest application in gas sensors. This chapter presents information related to the application of various metal oxides in gas sensors designed on different p...

Ghenadii Korotcenkov

2013-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


141

Ab initio valence-bond cluster model for ionic solids: Alkaline-earth oxides  

Science Journals Connector (OSTI)

A linear M-O-M (M=metal, O=oxygen) cluster embedded in a Madelung field, and also including the quantum effects of the neighboring ions, is used to represent the alkaline-earth oxides. For this model an ab initio wave function is constructed as a linear combination of Slater determinants written in an atomic orbital basis set, i.e., a valence-bond wave function. Each valence-bond determinant (or group of determinants) corresponds to a resonating valence-bond structure. We have obtained ab initio valence-bond cluster-model wave functions for the electronic ground state and the excited states involved in the optical-gap transitions. Numerical results are reasonably close to the experimental values. Moreover, the model contains the ionic model as a limiting case and can be readily extended and improved.

A. Lorda; F. Illas; J. Rubio; J. B. Torrance

1993-03-15T23:59:59.000Z

142

Silicone metalization  

DOE Patents (OSTI)

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.

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

2006-12-05T23:59:59.000Z

143

Partial transient liquid phase diffusion bonding of Zircaloy-4 to stabilized austenitic stainless steel 321  

SciTech Connect

An innovative method was applied for bonding Zircaloy-4 to stabilized austenitic stainless steel 321 using an active titanium interlayer. Specimens were joined by a partial transient liquid phase diffusion bonding method in a vacuum furnace at different temperatures under 1 MPa dynamic pressure of contact. The influence of different bonding temperatures on the microstructure, microindentation hardness, joint strength and interlayer thickness has been studied. The diffusion of Fe, Cr, Ni and Zr has been investigated by scanning electron microscopy and energy dispersive spectroscopy elemental analyses. Results showed that control of the heating and cooling rate and 20 min soaking at 1223 K produces a perfect joint. However, solid-state diffusion of the melting point depressant elements into the joint metal causes the solid/liquid interface to advance until the joint is solidified. The tensile strength of all the bonded specimens was found around 480-670 MPa. Energy dispersive spectroscopy studies indicated that the melting occurred along the interface of the bonded specimens as a result of the transfer of atoms between the interlayer and the matrix during bonding. This technique provides a reliable method of bonding zirconium alloy to stainless steel.

Atabaki, M. Mazar, E-mail: m.mazaratabaki@gmail.com [Department of Materials Engineering, Faculty of Mechanical Engineering, University Technology Malaysia, 81310 (Malaysia); Hanzaei, A. Talebi [Department of Metallurgy and Materials Engineering, Faculty of Engineering, University of Tehran (Iran, Islamic Republic of)

2010-10-15T23:59:59.000Z

144

Electrophilic, Ambiphilic, and Nucleophilic C-H bond Activation: Understanding the electronic continuum of C-H bond activation through transition-state and reaction pathway interaction energy decompositions  

SciTech Connect

The potential energy and interaction energy profiles for metal- and metal?ligand-mediated alkane C?H bond activation were explored using B3LYP density functional theory (DFT) and the absolutely localized molecular orbital energy decomposition analysis (ALMO-EDA). The set of complexes explored range from late transition metal group 10 (Pt and Pd) and group 11 (Au) metal centers to group 7?9 (Ir, Rh, Ru, and W) metal centers as well as a group 3 Sc complex. The coordination geometries, electron metal count (d{sup 8}, d{sup 6}, d{sup 4}, and d{sup 0}), and ligands (N-heterocycles, O-donor, phosphine, and Cp*) are also diverse. Quantitative analysis using ALMO-EDA of both directions of charge-transfer stabilization (occupied to unoccupied orbital stabilization) energies between the metal?ligand fragment and the coordinated C?H bond in the transition state for cleavage of the C?H bond allows classification of C?H activation reactions as electrophilic, ambiphilic, or nucleophilic on the basis of the net direction of charge-transfer energy stabilization. This bonding pattern transcends any specific mechanistic or bonding paradigm, such as oxidative addition, ?-bond metathesis, or substitution. Late transition metals such as Au(III), Pt(II), Pd(II), and Rh(III) metal centers with N-heterocycle, halide, or O-donor ligands show electrophilically dominated reaction profiles with forward charge-transfer from the C?H bond to the metal, leading to more stabilization than reverse charge transfer from the metal to the C?H bond. Transition states and reaction profiles for d{sup 6} Ru(II) and Ir(III) metals with Tp and acac ligands were found to have nearly equal forward and reverse charge-transfer energy stabilization. This ambiphilic region also includes the classically labeled electrophilic cationic species Cp*(PMe{sub 3})Ir(Me). Nucleophilic character, where the metal to C?H bond charge-transfer interaction is most stabilizing, was found in metathesis reactions with W(II) and Sc(III) metal center complexes in reactions as well as late transition metal Ir(I) and Rh(I) pincer complexes that undergo C?H bond insertion. Comparison of pincer ligands shows that the PCP ligand imparts more nucleophilic character to an Ir metal center than a deprotonated PNP ligand. The PCP and POCOP ligands do not show a substantial difference in the electronics of C?H activation. It was also found that Rh(I) is substantially more nucleophilic than Ir(I). Lastly, as a qualitative approximation, investigation of transition-state fragment orbital energies showed that relative frontier orbital energy gaps correctly reflect electrophilic, ambiphilic, or nucleophilic charge-transfer stabilization patterns.

Ess, Daniel H; Goddard, William A; Periana, Roy A

2010-01-01T23:59:59.000Z

145

Ice nanoclusters at hydrophobic metal surfaces  

E-Print Network (OSTI)

and characterization of metal-supported water hexamers and a family of hydrated nanoclusters-- heptamers, octamers to nucleate through the presence of an `ice nucleating agent': a microscopic seed particle of salt, sand or such as the formation of new water structures not observed in the gas phase, altered H-bond strengths or different

146

Public Bonding Options | Department of Energy  

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

While the revenue stream need not be directly related to the financed project, capital lease revenue bonds entail a third party guaranteeing an energy savings revenue stream,...

147

Hydrogen Adsorption Induces Interlayer Carbon Bond Formation...  

NLE Websites -- All DOE Office Websites (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...

148

Nuclear reactor multiphysics via bond graph formalism  

E-Print Network (OSTI)

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 ...

Sosnovsky, Eugeny

2014-01-01T23:59:59.000Z

149

Single Molecule Junctions: A Laboratory for Chemistry, Mechanics and Bond Rupture  

SciTech Connect

Simultaneous measurement [1] of junction conductance and sustained force in single molecule junctions bridging metal electrodes provides a powerful tool in the quantitative study of the character of molecule-metal bonds. In this talk I will discuss three topics. First, I will describe chemical trends in link bond strength based on experiments and Density Functional Theory based calculations. Second, I will focus on the specific case of pyridine-linked junctions. Bond rupture from the high conductance junction structure shows a requires a force that exceeds the rupture force of gold point contacts and clearly indicates the role of additional forces, beyond the specific N-Au donor acceptor bond. DFT-D2 calculations with empirical addition of dispersion interactions illustrates the interplay between the donor-acceptor bonding and the non-specific van der Waals interactions between the pyridine rings and Au asperities. Third, I will describe recent efforts to characterize the diversity of junction structures realized in break-junction experiments with suitable models for the potential surfaces that are observed. [1] Venkataraman Group, Columbia University.

Hybertsen M. S.

2013-07-08T23:59:59.000Z

150

Molecular Dynamics Simulations of Metal Clusters Supported on Fishbone Carbon Nanofibers  

E-Print Network (OSTI)

-exchange fuel cells use carbon to support catalyst metal clusters of up to 5 Ã?.5,6 In particular, carbon with and without hydrogen termination have been considered. Without hydrogen termination, significant differences of the support material. In general, hydrogen termination attenuates the degree of metal-metal bond strain. 1

Goddard III, William A.

151

Influence of interface compounds on interface bonding characteristics of aluminium and silicon carbide  

SciTech Connect

The interface plays an important role in improving the mechanical properties of metal matrix composites. Hence, it is essential to evaluate interface bonding of Aluminium/Silicon carbide. The interface bonding of Aluminum/Silicon carbide samples were prepared by various processing temperatures at constant holding time. The interface compounds at the interface were evaluated by an energy dispersive spectroscope and diffusion length of compounds was calculated by Arrhenius equation. The interface structure was analyzed by a scanning electron microscope. The interface characteristics were evaluated by tensile test and microhardness test.

Sozhamannan, G.G., E-mail: sozhan30@yahoo.co.in [Department of Mechanical Engineering, College of Engineering, Anna University Chennai, Chennai-600025 (India); Prabu, S. Balasivanandha [Department of Mechanical Engineering, College of Engineering, Anna University Chennai, Chennai-600025 (India)

2009-09-15T23:59:59.000Z

152

Selenophene transition metal complexes  

SciTech Connect

This research shows that selenophene transition metal complexes have a chemistry that is similar to their thiophene analogs. Selenophene coordination has been demonstrated and confirmed by molecular structure in both the {eta}{sup 5}- and the {eta}{sup 1}(Se)-coordination modes. The reaction chemistry of selenophene complexes closely resembles that of the analogous thiophene complexes. One major difference, however, is that selenophene is a better donor ligand than thiophene making the selenophene complexes more stable than the corresponding thiophene complexes. The {sup 77}Se NMR chemical shift values for selenophene complexes fall within distinct regions primarily depending on the coordination mode of the selenophene ligand. In the final paper, the C-H bond activation of {eta}{sup 1}(S)-bound thiophenes, {eta}{sup 1}(S)-benzothiophene and {eta}{sup 1}(Se)-bound selenophenes has been demonstrated. The deprotonation and rearrangement of the {eta}{sup 1}(E)-bound ligand to the carbon bound L-yl complex readily occurs in the presence of base. Reprotonation with a strong acid gives a carbene complex that is unreactive towards nucleophilic attack at the carbene carbon and is stable towards exposure to air. The molecular structure of [Cp(NO)(PPh{sub 3})Re(2-benzothioenylcarbene)]O{sub 3}SCF{sub 3} was determined and contains a Re-C bond with substantial double bond character. Methyl substitution for the thienylcarbene or selenylcarbene gives a carbene that rearranges thermally to give back the {eta}{sup 1}(E)-bound complex. Based on these model reactions, a new mechanism for the H/D exchange of thiophene over the hydrodesulfurization catalyst has been proposed.

White, C.J.

1994-07-27T23:59:59.000Z

153

Bond Strength of Grade 100 Reinforcing Steel  

E-Print Network (OSTI)

The bond strength of Grade 100 ASTM A 1035 reinforcing steel manufactured by MMFX Technologies Corp. is evaluated with respect to bond strength equations found in ACI 318-05 and ACI 408R-03. Test specimens are fullscale beam-splice specimens tested...

Miller, Shelby

2007-12-14T23:59:59.000Z

154

Reductive deuteration of 4-benzamido-3-oxo-2-(4-methoxycarbonylbutylidene)tetrahydrothiophene to give the 3-deuteroxy derivative and its prototropic isomerization  

Science Journals Connector (OSTI)

The prototropic rearrangement of a deuterated 3-hydroxytetrahydrothiophene with a ?,?-exocyclic double bond is accompanied by deuterium migration along the double bond. Thus 4-r-benzamido-3-t-deuteroxy-3-c-deuter...

S. D. Mikhno; T. M. Filippova; I. G. Suchkova…

1983-10-01T23:59:59.000Z

155

Effect of nanoscale surface roughness on the bonding energy of direct-bonded silicon wafers  

Science Journals Connector (OSTI)

Direct wafer bonding of silicon wafers is a promising technology for manufacturing three-dimensional complex microelectromechanical systems as well as silicon-on-insulator substrates. Previous work has reported that the bond quality declines with increasing surface roughness however this relationship has not been quantified. This article explicitly correlates the bond quality which is quantified by the apparent bonding energy and the surface morphology via the bearing ratio which describes the area of surface lying above a given depth. The apparent bonding energy is considered to be proportional to the real area of contact. The effective area of contact is defined as the area sufficiently close to contribute to the attractive force between the two bonding wafers. Experiments were conducted with silicon wafers whose surfaces were roughened by a buffered oxide etch solution (BOE HF:NH 4 F =1:7) and/or a potassium hydroxide solution. The surface roughness was measured by atomic force microscopy. The wafers were direct bonded to polished “monitor” wafers following a standard RCA cleaning and the resulting bonding energy was measured by the crack-opening method. The experimental results revealed a clear correlation between the bonding energy and the bearing ratio. A bearing depth of ?1.4 nm was found to be appropriate for the characterization of direct-bonded silicon at room temperature which is consistent with the thickness of the water layer at the interface responsible for the hydrogen bonds that link the mating wafers.

N. Miki; S. M. Spearing

2003-01-01T23:59:59.000Z

156

Preparative enzymatic solid phase synthesis of cis(+)-12-oxo-phytodienoic acid – physical interaction of AOS and AOC is not necessary  

Science Journals Connector (OSTI)

The pathway of jasmonic acid (JA) biosynthesis was established in the 1980s by Vick and Zimmerman but, until now, the preparative biosynthesis of the jasmonic acid precursors 12-oxo-phytodienoic acid (OPDA) and 3-oxo-2-[2?-pentenyl]-cyclopentan-1-octanoic acid (OPC-8:0) in their endogenous and biologically relevant cis(+)-configuration was only possible in small amounts and had to put up with high costs. This was mainly due to the lack of high amounts of pure and enzymatically active allene oxide cyclase (AOC), which is a key enzyme in the biosynthesis of jasmonates in that it releases, in a coupled reaction with allene oxide synthase (AOS), the first cyclic and biological active metabolite – OPDA. We describe here the expression and purification of AOS and AOC and their subsequent coupling to solid matrices to produce an enantioselective, reusable bioreactor for octadecanoid production. With the method described here it is possible to produce optically pure enantiomers of octadecanoids in high amounts in a cost- and time-efficient manner. Furthermore, it could be demonstrated that a physical interaction of AOS and AOC, hitherto postulated to be required for substrate channeling from AOS to AOC, is not necessary for the in vitro cyclization of the unstable epoxide generated by the AOS reaction.

Philipp Zerbe; Elmar W. Weiler; Florian Schaller

2007-01-01T23:59:59.000Z

157

Solving the Mystery of the Billion-Dollar Bond, Double Bond | Department of  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Solving the Mystery of the Billion-Dollar Bond, Double Bond Solving the Mystery of the Billion-Dollar Bond, Double Bond Solving the Mystery of the Billion-Dollar Bond, Double Bond October 26, 2011 - 4:56pm Addthis John Shanklin, biochemist at Brookhaven National Laboratory, and Ed Whittle, research assistant in Shanklin's lab, with a fatty acid molecule model and plant seeds and casings in the foreground. | Courtesy of Brookhaven National Laboratory John Shanklin, biochemist at Brookhaven National Laboratory, and Ed Whittle, research assistant in Shanklin's lab, with a fatty acid molecule model and plant seeds and casings in the foreground. | Courtesy of Brookhaven National Laboratory Charles Rousseaux Charles Rousseaux Senior Writer, Office of Science What are the key facts? Understanding how proteins exert precise control over double bond

158

Metal oxide films on metal  

DOE Patents (OSTI)

A structure including a thin film of a conductive alkaline earth metal oxide selected from the group consisting of strontium ruthenium trioxide, calcium ruthenium trioxide, barium ruthenium trioxide, lanthanum-strontium cobalt oxide or mixed alkaline earth ruthenium trioxides thereof upon a thin film of a noble metal such as platinum is provided.

Wu, Xin D. (Los Alamos, NM); Tiwari, Prabhat (Los Alamos, NM)

1995-01-01T23:59:59.000Z

159

Determinants of bond market development in Asia  

Science Journals Connector (OSTI)

One of the major reasons behind the Asian financial crisis in 1997 was the excessive dependence of the Asian economies on commercial banks for domestic financing. The region failed to diversify its sources of corporate financing as it relied mainly on banks since its other types of financing, namely bond markets, were still underdeveloped and their sizes were quite small. On the other hand, the 2008 global financial crisis and the ongoing European debt crisis have led to constraints in acquiring local currency and foreign currency liquidity in the corporate sector in Asia as foreign banks withdrew investments from Asia. Furthermore, Asia needs large long term capital (US$ 750 billion per year for 2010–2020) for developing infrastructure connectivity within and across its economies. Local and regional capital can be channeled for long-term infrastructure projects and other productive investment through bond markets. Having a well-developed local currency bond markets can enhance the resilience of domestic financial sector to external shocks and it can facilitate better intermediation of savings into productive investments in Asia. To enhance corporate bond financing, it is important to examine factors that affect the effective development of bond markets in Asia. The study attempts to identify the determinants of bond market development in Asian economies through examining the relationship of bond issuance with selected key financial and economic factors. It also intends to provide policy recommendations for the further development of the Asian bond market. Major determinants for bond market development in Asia include the size of an economy, the stage of economic development, the openness of an economy, the exchange rate variability, the size of the banking system, and interest rate variability.

Biswa Nath Bhattacharyay

2013-01-01T23:59:59.000Z

160

Metal Toxicity  

Science Journals Connector (OSTI)

Problems posed to plants by metal toxicity in the soils of the world are basically of two kinds. The first kind are of natural origin. These arise either as a consequence of the nature of the parent material f...

T. McNeilly

1994-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


161

Dendritic metal nanostructures  

DOE Patents (OSTI)

Dendritic metal nanostructures made using a surfactant structure template, a metal salt, and electron donor species.

Shelnutt, John A. (Tijeras, NM); Song, Yujiang (Albuquerque, NM); Pereira, Eulalia F. (Vila Nova de Gaia, PT); Medforth, Craig J. (Winters, CA)

2010-08-31T23:59:59.000Z

162

Weird Oxygen Bonding under Pressure | Advanced Photon Source  

NLE Websites -- All DOE Office Websites (Extended Search)

A Breakthrough in Improving Osteoporosis Drug Design A Breakthrough in Improving Osteoporosis Drug Design Allaying Structural-Alloy Corrosion Putting the Pressure on MOFs Newly Described "Dragon" Protein Could Be Key to Bird Flu Cure Hearing the Highest Pitches Science Highlights Archives: 2013 | 2012 | 2011 | 2010 2009 | 2008 | 2007 | 2006 2005 | 2004 | 2003 | 2002 2001 | 2000 | 1998 | Subscribe to APS Science Highlights rss feed Weird Oxygen Bonding under Pressure AUGUST 8, 2008 Bookmark and Share Schematic shows the topology of π* orbital interactions in the (O2)4 cluster. (Image copyright National Academy of Sciences, PNAS.) Oxygen, the third most abundant element in the cosmos and essential to life on Earth, changes its forms dramatically under pressure, transforming to a solid with spectacular colors. Eventually it becomes metallic and a

163

Method of making bonded or sintered permanent magnets  

DOE Patents (OSTI)

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.

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

1995-11-28T23:59:59.000Z

164

Method of making bonded or sintered permanent magnets  

DOE Patents (OSTI)

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.

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

1993-08-31T23:59:59.000Z

165

Icosahedral order and defects in metallic liquids and glasses  

Science Journals Connector (OSTI)

Molecular-dynamics simulations of 500 particles have been performed to study the icosahedral order and the defects in the supercooled liquid and glass states of metallic Mg3Ca7. Not only are Frank-Kasper polyhedra and Bernal ‘‘hole’’ polyhedra detected, but also a variety of defective icosahedra. Especially, the number of the type of defective icosahedron defined by eight 1551 bonds, two 1661 bonds, and two 1441 bonds is much greater than the number of any kind of Frank-Kasper and Bernal polyhedra. This strongly supports the physical picture of liquids and glasses being a disordered, entangled array of +72° and -72° disclination lines in an icosahedral medium.

D. W. Qi and S. Wang

1991-07-01T23:59:59.000Z

166

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

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

Municipal Bond - Power Purchase Agreement Model Continues to Provide Low-Cost Solar Energy Municipal Bond - Power Purchase Agreement Model Continues to Provide Low-Cost Solar...

167

Hydrogen-bond acidic functionalized carbon nanotubes (CNTs) with...  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen-bond acidic functionalized carbon nanotubes (CNTs) with covalently-bound hexafluoroisopropanol groups. Hydrogen-bond acidic functionalized carbon nanotubes (CNTs) with...

168

Atomistic modeling of amorphous silicon carbide using a bond...  

NLE Websites -- All DOE Office Websites (Extended Search)

modeling of amorphous silicon carbide using a bond-order potential. Atomistic modeling of amorphous silicon carbide using a bond-order potential. Abstract: Molecular dynamics...

169

Bond Energies in Models of the Schrock Metathesis Catalyst. ...  

NLE Websites -- All DOE Office Websites (Extended Search)

Energies in Models of the Schrock Metathesis Catalyst. Bond Energies in Models of the Schrock Metathesis Catalyst. Abstract: Heats of formation, adiabatic and diabatic bond...

170

Atoms in Valence Bond. Method, implementation and application.  

E-Print Network (OSTI)

??The Atoms in Valence Bond (AiVB) approach is presented. The main goal was to develop a new and innovative approach, within the existing Valence Bond… (more)

Zielinski, M.L.

2012-01-01T23:59:59.000Z

171

Energetics of Hydrogen Bond Network Rearrangements in Liquid...  

NLE Websites -- All DOE Office Websites (Extended Search)

Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print Wednesday, 25 May 2005 00:00 The unique...

172

Three Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and...  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and Transition State Analogues. Three Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and Transition State Analogues....

173

IRS Announces New Tribal Economic Development Bond Allocation...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

IRS Announces New Tribal Economic Development Bond Allocation Guidance IRS Announces New Tribal Economic Development Bond Allocation Guidance July 18, 2012 - 3:46pm Addthis To...

174

Hydrogen-Bond Acidic Polymers for Chemical Vapor Sensing. | EMSL  

NLE Websites -- All DOE Office Websites (Extended Search)

Acidic Polymers for Chemical Vapor Sensing. Hydrogen-Bond Acidic Polymers for Chemical Vapor Sensing. Abstract: A review with 171 references. Hydrogen-bond acidic polymers for...

175

International political risk and government bond pricing  

Science Journals Connector (OSTI)

Abstract This paper investigates the impact of international political risk on government bond yields in 34 debtor countries using a comprehensive database of 109 international political crises from 1988 through 2007. After employing the total number of international political crises as a proxy for political risk and controlling for country-specific economic conditions, we establish a positive and significant link between international political risk and government bond yields. This is consistent with global bond investors demanding higher returns at times of high political uncertainty. In addition, we show that international political risk has a reduced adverse effect on bond prices when the debtor country has a stable political system and strong investor protection.

Tao Huang; Fei Wu; Jing Yu; Bohui Zhang

2014-01-01T23:59:59.000Z

176

Industrial Revenue Bond Program (District of Columbia)  

Energy.gov (U.S. Department of Energy (DOE))

The District provides below market bond financing to lower the costs of borrowing for qualified capital construction and renovation projects. The program is available to non-profits, institutions,...

177

Evidence of the Key Role of Metal-Molecule Bonding in Metal-Molecule-Metal Transport Experiments  

Science Journals Connector (OSTI)

The transport properties of two oligothiophene derivatives, that differ only by the chemical group coupling to gold, are compared. It is shown that the role of the coupling group in the transport properties can be decoupled from that of the conjugated body of the molecules and that Se is a better electronic coupling group than S. These results are accounted for semiquantitatively within the frame of the scattering theory of transport, using results from ultraviolet photoemission spectroscopy experiments as inputs for the position in energy of the molecular orbitals with respect to the Fermi level of the electrodes.

L. Patrone; S. Palacin; J. Charlier; F. Armand; J. P. Bourgoin; H. Tang; S. Gauthier

2003-08-29T23:59:59.000Z

178

Upgrading of petroleum oil feedstocks using alkali metals and hydrocarbons  

DOE Patents (OSTI)

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.

Gordon, John Howard

2014-09-09T23:59:59.000Z

179

Simulation of creep and damage in the bonded compliant seal of planar solid oxide fuel cell  

Science Journals Connector (OSTI)

Abstract Planar solid oxide fuel cell (SOFC) operates at high temperature and requires a good creep strength to ensure the structure integrity. This paper presents a creep and damage analysis of a bonded compliant seal (BCS) structure of a planar SOFC considering the effect of as-bonded residual stress and thermal stress, as well as the effect of filler metal and foil thickness. A modified continuum creep-damage model is used in the finite element simulation. It demonstrates that the BCS structure meets the requirement of the long-term operation at the high temperature of 600 °C with an appropriate braze bonding process. The results show that the failure location is not in the region of maximum creep deformation due to the effect of high level multi-axial stress which drastically decreases the multi-axial ductility. Reasonably reducing the thickness of filler metal and foil can decrease the damage of the BCS structure. Based on the consideration of creep and damage, it is proposed that the thickness of filler metal and foil should not exceed 0.1 and 0.05 mm, respectively.

Yu-Cai Zhang; Wenchun Jiang; Shan-Tung Tu; Jian-Feng Wen

2014-01-01T23:59:59.000Z

180

Theory of the alkali-metal chemisorption on metal surfaces. II.  

Science Journals Connector (OSTI)

The electronic structure of alkali-metal adlayers on metal surfaces is studied by first-principles calculations within the local-density-functional theory as a function of coverage (?). Hexagonal Na layers with varying lattice constants are used as adlayers, and the substrate is modeled by the semi-infinite jellium with rs=2, 3, and 4. The results obtained refine upon those in a previous work where the substrate was approximated by a jellium slab [Phys. Rev. B 38, 8006 (1988)]. In spite of the large potential lowering in the vacuum, the density of states in a Na sphere is rather insensitive to ?, except that the atomiclike resonances at low ? are broadened with increasing ? because of the formation of adlayer bands. For all the substrates, the bonding-antibonding boundary with regard to the Na-jellium bonding coincides with the Fermi level at the lowest ?, which implies that the covalency in the Na-jellium bond and the interatomic polarization term in the Na-induced dipole moment become the largest at the lowest ?. The rapid decrease of the dipole moment at higher ? is caused mainly by the direct Na-Na interaction due to the orbital overlap, which leads to a stronger Na-Na bond and simultaneously to a weaker Na-jellium bond, rather than by the indirect dipole-dipole interaction.

H. Ishida

1990-12-15T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


181

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

DOE Patents (OSTI)

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.

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

1991-01-01T23:59:59.000Z

182

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

DOE Patents (OSTI)

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.

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

1990-01-01T23:59:59.000Z

183

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

DOE Patents (OSTI)

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.

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

1990-08-28T23:59:59.000Z

184

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

DOE Patents (OSTI)

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.

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

1991-10-15T23:59:59.000Z

185

Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C–H Activations: From Spectator Metals to Metal-Free  

Science Journals Connector (OSTI)

The 4,5-diazafluorenide ligand (L–) serves as an actor ligand in the formal insertion of CO2 into a C–H bond remote from the metal center. With the Ru(II) complex of L– as the starting point, Rh(III), Rh(I), and Cu(I) were used as spectator metal centers ...

Vincent T. Annibale; Daniel A. Dalessandro; Datong Song

2013-09-26T23:59:59.000Z

186

Qualified Energy Conservation Bond State-by-State Summary Tables  

Energy.gov (U.S. Department of Energy (DOE))

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

187

Composite metal membrane  

DOE Patents (OSTI)

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.

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

1998-01-01T23:59:59.000Z

188

Composite metal membrane  

DOE Patents (OSTI)

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.

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

1998-04-14T23:59:59.000Z

189

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

E-Print Network (OSTI)

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

Fayer, Michael D.

190

Qualified Energy Conservation Bond (QECB) Update: New  

NLE Websites -- All DOE Office Websites (Extended Search)

8, 2012 8, 2012 Qualified Energy Conservation Bond (QECB) Update: New Guidance from the U.S. Department of Treasury and the Internal Revenue Service Qualified Energy Conservation Bonds (QECBs) are federally-subsidized bonds that enable state, tribal, and local government issuers to borrow money to fund a range of energy conservation projects at very attractive borrowing rates over long contract terms. In June 2012, the U.S. Department of the Treasury (Treasury) and the Internal Revenue Service (IRS) published a notice to clarify what constitutes a qualified project for potential issuers of the approximately $2.5 billion of remaining QECB issuance capacity. The guidance addresses two qualified uses of QECB proceeds-how issuers should measure energy use reductions in publicly-owned buildings and what constitutes a green community program.

191

Epoxy bond and stop etch fabrication method  

DOE Patents (OSTI)

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.

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

2000-01-01T23:59:59.000Z

192

Theoretical study of the adsorption of 3d- and 4d-metals on a WC(0001) surface  

SciTech Connect

The interaction of 3d- and 4d-metals with a WC(0001) surface has been studied theoretically by density-functional theory methods depending on surface termination and adsorbate position. The most stable sites of metal adsorption on the surface have been determined. The binding energy of d-metals with the surface is shown to be higher in the case of carbon terminated surface. This is explained by the predominant ionic-covalent contribution to the chemical bond at the interface, with the bond ionicity being determined by charge transfer from the metals to the electronegative carbon. Analysis of the electronic and structural characteristics has revealed the factors affecting the bonding energetics at the metal-carbide interface depending on the metal d-shell filling with electrons.

Bakulin, A. V.; Kulkova, S. E., E-mail: kulkova@ispms.tsc.ru [Russian Academy of Sciences, Institute of Strength Physics and Materials Science, Siberian Branch (Russian Federation)

2013-08-15T23:59:59.000Z

193

Adhesive bonding using variable frequency microwave energy  

DOE Patents (OSTI)

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.

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)

1998-01-01T23:59:59.000Z

194

Adhesive bonding using variable frequency microwave energy  

DOE Patents (OSTI)

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.

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

1998-09-08T23:59:59.000Z

195

Adhesive bonding using variable frequency microwave energy  

DOE Patents (OSTI)

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.

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

1998-08-25T23:59:59.000Z

196

Monitoring detachment and diffusion of metallic species in polycarbonate  

SciTech Connect

Photon absorption is known to create peroxy radicals in polymers, in a process that entails the removal of hydrogen atoms and the subsequent breakage of bonds. Bond-breaking is found to free, from the polymeric matrix, metallic additives which are then able to diffuse out, as evidenced by the change in both the metallic fluorescence yield and the XPS profiles of C, N, and O. Polycarbonate was artificially weathered using UV radiation from mercury emission lines at 365, 405 and 435 nm, followed by thermal treatment. The UV wavelengths used have energies comparable to those of covalent bonds found in polymeric chains. Both processes, light exposure and thermal, have the purpose of stimulating the degradation of polycarbonate.

Bencomo, M. [Department of Physics, Texas A and M U. College Station, TX 77843 (United States); Castro-Colin, M. [Bruker AXS GmbH, 76187, Karlsruhe (Germany); Lopez, J. A.; Ramirez-Homs, E. [Department of Physics, U. of Texas at El Paso, El Paso, TX 79968 (United States)

2013-07-03T23:59:59.000Z

197

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

E-Print Network (OSTI)

dramatically across Texas school districts, both in total and as a percentage of the total amount borrowed. As an example, in 2008 Alto ISD issued $6.3 million in bonds and Glen Rose ISD borrowed $6.2 million. The underwriter for Glen Rose earned $38...,936 in fees; the underwriter on the Alto deal earned $193,712, nearly five times that amount. On a per bond basis, Glen Rose paid .628%, while Alto paid more than 3%. An examination of bond issues across the state demonstrates similar variations...

Stasny, Mary Knetsar

2011-02-22T23:59:59.000Z

198

Mechanics and Chemistry: Sinle Molecule Bond Rupture Forces Correlate with Molecular Backbone Structure  

SciTech Connect

We simultaneously measure conductance and force across nanoscale junctions. A new, two-dimensional histogram technique is introduced to statistically extract bond rupture forces from a large data set of individual junction elongation traces. For the case of Au point contacts, we find a rupture force of 1.4 {+-} 0.2 nN, which is in good agreement with previous measurements. We then study systematic trends for single gold metal-molecule-metal junctions for a series of molecules terminated with amine and pyridine linkers. For all molecules studied, single molecule junctions rupture at the Au-N bond. Selective binding of the linker group allows us to correlate the N-Au bond-rupture force to the molecular backbone. We find that the rupture force ranges from 0.8 nN for 4,4' bipyridine to 0.5 nN in 1,4 diaminobenzene. These experimental results are in excellent quantitative agreement with density functional theory based adiabatic molecular junction elongation and rupture calculations.

Frei, M.; Hybertsen, M.; Aradhya, S.V.; Koentopp, M.; Venkataraman, L.

2011-03-02T23:59:59.000Z

199

Sorption kinetic studies using metal chelate embedded polymers for recovery of heavy metals from desalination effluents  

Science Journals Connector (OSTI)

The heavy metals, such as uranium and vanadium, are some of the valuable metals in desalination effluents. Metal Chelate Embedded Polymers (MCEP) in leaflet form were prepared using the post-irradiation induced graft polymerisation technique, with different non-woven thermally bonded fibrous substrate materials. The novel sorbents, synthesised by using accelerator energy beams of 1.25 MeV and 2 MeV, were characterised for their radiation, chemical and mechanical characteristics. The novel sorbent was evaluated under different parametric conditions, in order to study the influence of grafting levels, initial concentration, dissolved solids and contact time. The standard isotherm and diffusion models were fitted to the experimental sorption data and model parameters were evaluated. The sorption characteristics of MCEP for recovery of heavy metals such as uranium and vanadium from desalination effluents were investigated.

T.L. Prasad; P.K. Tewari; D. Sathiyamoorthy

2011-01-01T23:59:59.000Z

200

Tax-Exempt Industrial Revenue Bonds (Kansas) | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Industrial Revenue Bonds (Kansas) Industrial Revenue Bonds (Kansas) Tax-Exempt Industrial Revenue Bonds (Kansas) < Back Eligibility Agricultural Commercial Construction Industrial Utility Savings Category Alternative Fuel Vehicles Hydrogen & Fuel Cells Buying & Making Electricity Water Home Weatherization Solar Wind Program Info State Kansas Program Type Bond Program Provider Revenue Tax-Exempt Industrial Revenue Bonds are issued by cities and counties for the purchase, construction, improvement or remodeling of a facility for agricultural, commercial, hospital, industrial, natural resources, recreational development or manufacturing purposes. The board of county commissioners of any county or the governing body of any city may approve an exemption of property funded by industrial revenue bonds (IRB's). Some

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


201

Dynamic force spectroscopy on multiple bonds: experiments and model  

E-Print Network (OSTI)

We probe the dynamic strength of multiple biotin-streptavidin adhesion bonds under linear loading using the biomembrane force probe setup for dynamic force spectroscopy. Measured rupture force histograms are compared to results from a master equation model for the stochastic dynamics of bond rupture under load. This allows us to extract the distribution of the number of initially closed bonds. We also extract the molecular parameters of the adhesion bonds, in good agreement with earlier results from single bond experiments. Our analysis shows that the peaks in the measured histograms are not simple multiples of the single bond values, but follow from a superposition procedure which generates different peak positions.

T. Erdmann; S. Pierrat; P. Nassoy; U. S. Schwarz

2007-12-18T23:59:59.000Z

202

Private Activity Bond Allocation (Missouri) | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Bond Allocation (Missouri) Bond Allocation (Missouri) Private Activity Bond Allocation (Missouri) < Back Eligibility Investor-Owned Utility Local Government Municipal/Public Utility Rural Electric Cooperative Systems Integrator Utility Savings Category Alternative Fuel Vehicles Hydrogen & Fuel Cells Buying & Making Electricity Water Home Weatherization Solar Wind Maximum Rebate Total Program Cap 2012: $571,015,360 Program Info State Missouri Program Type Bond Program Provider Missouri Department of Economic Development The Private Activity Bond Allocation Program provides low-interest financing through tax-exempt bonds for certain types of projects, including electric and gas utility projects. Eligible applicants include certain state agencies, cities, counties and industrial development authorities

203

Reaction Pathways and Energetics of Etheric C?O Bond Cleavage Catalyzed by Lanthanide Triflates  

SciTech Connect

Efficient and selective cleavage of etheric C?O bonds is crucial for converting biomass into platform chemicals and liquid transportation fuels. In this contribution, computational methods at the DFT B3LYP level of theory are employed to understand the efficacy of lanthanide triflate catalysts (Ln(OTf)3, Ln = La, Ce, Sm, Gd, Yb, and Lu) in cleaving etheric C?O bonds. In agreement with experiment, the calculations indicate that the reaction pathway for C?O cleavage occurs via a C?H ? O?H proton transfer in concert with weakening of the C?O bond of the coordinated ether substrate to ultimately yield a coordinated alkenol. The activation energy for this process falls as the lanthanide ionic radius decreases, reflecting enhanced metal ion electrophilicity. Details of the reaction mechanism for Yb(OTf)3-catalyzed ring opening are explored in depth, and for 1-methyl-d3-butyl phenyl ether, the computed primary kinetic isotope effect of 2.4 is in excellent agreement with experiment (2.7), confirming that etheric ring-opening pathway involves proton transfer from the methyl group alpha to the etheric oxygen atom, which is activated by the electrophilic lanthanide ion. Calculations of the catalytic pathway using eight different ether substrates indicate that the more rapid cleavage of acyclic versus cyclic ethers is largely due to entropic effects, with the former C?O bond scission processes increasing the degrees of freedom/particles as the transition state is approached.

Assary, Rajeev S.; Atesin, Abdurrahman C.; Li, Zhi; Curtiss, Larry A.; Marks, Tobin J.

2013-07-15T23:59:59.000Z

204

Mechanochemical processing for metals and metal alloys  

DOE Patents (OSTI)

A set of processes for preparing metal powders, including metal alloy powders, by ambient temperature reduction of a reducible metal compound by a reactive metal or metal hydride through mechanochemical processing. The reduction process includes milling reactants to induce and complete the reduction reaction. The preferred reducing agents include magnesium and calcium hydride powders. A process of pre-milling magnesium as a reducing agent to increase the activity of the magnesium has been established as one part of the invention.

Froes, Francis H. (Moscow, ID); Eranezhuth, Baburaj G. (Moscow, ID); Prisbrey, Keith (Moscow, ID)

2001-01-01T23:59:59.000Z

205

Local Government Revenue Bonds (Montana) | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Government Revenue Bonds (Montana) Government Revenue Bonds (Montana) Local Government Revenue Bonds (Montana) < Back Eligibility Utility Commercial Investor-Owned Utility Municipal/Public Utility Local Government Rural Electric Cooperative Tribal Government Savings Category Alternative Fuel Vehicles Hydrogen & Fuel Cells Buying & Making Electricity Water Home Weatherization Solar Wind Program Info State Montana Program Type Bond Program Provider Any interested county or municipality. Limited obligation local government bonds ("special revenue bonds") may be issued for qualified electric energy generation facilities, including those powered by renewables. These bonds generally are secured by the project itself. The taxing power or general credit of the government may not be used to secure the bonds. Local governments may not operate any project

206

Major Business Expansion Bond Program (Maine) | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Expansion Bond Program (Maine) Expansion Bond Program (Maine) Major Business Expansion Bond Program (Maine) < Back Eligibility Commercial Savings Category Alternative Fuel Vehicles Hydrogen & Fuel Cells Buying & Making Electricity Water Home Weatherization Solar Wind Program Info State Maine Program Type Bond Program Provider Finance Authority of Maine The Major Business Expansion Bond Program provides long-term, credit-enhanced financing up to $25,000,000 at taxable bond rates for businesses creating or retaining at least 50 jobs; up to $10,000,000 is available for businesses which expand their manufacturing services. The bond proceeds may be used to acquire real estate, machinery, equipment, or rehabilitate or expand an existing facility. The interest rate is determined by market forces at the time of the bond sale

207

Imaging Intrinsic Diffusion of Bridge-Bonded Oxygen Vacancies...  

NLE Websites -- All DOE Office Websites (Extended Search)

Intrinsic Diffusion of Bridge-Bonded Oxygen Vacancies on TiO2(110). Imaging Intrinsic Diffusion of Bridge-Bonded Oxygen Vacancies on TiO2(110). Abstract: Since oxygen atom...

208

Ge-Au eutectic bonding of Ge {100} single crystals  

Science Journals Connector (OSTI)

We present preliminary results on the eutectic bonding between two {100} Ge single crystal surfaces using thin films of ... Au sample show epitaxial growth of Ge. In sections of the bond, lattice continuity...

W. B. Knowlton; K. M. Itoh; J. W. Beeman; J. H. Emes…

1993-11-01T23:59:59.000Z

209

Pooled Bond Program (South Dakota) | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Pooled Bond Program (South Dakota) Pooled Bond Program (South Dakota) Pooled Bond Program (South Dakota) < Back Eligibility Commercial Savings Category Alternative Fuel Vehicles Hydrogen & Fuel Cells Buying & Making Electricity Water Home Weatherization Solar Wind Program Info State South Dakota Program Type Bond Program Provider South Dakota Governor's Office of Economic Development The Pooled Bond Program offered by the Economic Development Finance Authority is designed for capital intensive projects, providing small businesses access to larger capital markets for tax-exempt or taxable bond issuances. Bond proceeds can be used to finance 80 percent of new construction, and 75 percent of new equipment costs, with no greater than 25 percent of the bond proceeds being used for ancillary activities such as

210

Industrial Revenue Bond Issuance Cost Assistance (Wisconsin) | Department  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Revenue Bond Issuance Cost Assistance (Wisconsin) Revenue Bond Issuance Cost Assistance (Wisconsin) Industrial Revenue Bond Issuance Cost Assistance (Wisconsin) < Back Eligibility Local Government Savings Category Alternative Fuel Vehicles Hydrogen & Fuel Cells Buying & Making Electricity Water Home Weatherization Wind Solar Program Info State Wisconsin Program Type Bond Program Provider Wisconsin Economic Development Corporation Industrial Revenue Bonds (IRB) are tax-exempt bonds that can be used to stimulate capital investment and job creation by providing private borrowers with access to financing at interest rates that are lower than conventional bank loans. The IRB process involves five separate entities - the borrower, lender, bond attorney, issuer, and WEDC. WEDC allocates the bonding authority or the volume cap for the program under Wis. Stat. §

211

Article coated with flash bonded superhydrophobic particles  

DOE Patents (OSTI)

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.

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

2010-07-13T23:59:59.000Z

212

Definition: Cement Bond Log | Open Energy Information  

Open Energy Info (EERE)

Definition Definition Edit with form History Facebook icon Twitter icon » Definition: Cement Bond Log Jump to: navigation, search Dictionary.png Cement Bond Log A representation of the integrity of the cement job, especially whether the cement is adhering solidly to the outside of the casing. The log is typically obtained from one of a variety of sonic-type tools. The newer versions, called cement evaluation logs, along with their processing software, can give detailed, 360-degree representations of the integrity of the cement job, whereas older versions may display a single line representing the integrated integrity around the casing.[1] Related Terms Acoustic Logs References ↑ Schlumberger Oilfield Glossary Ret LikeLike UnlikeLike You like this.Sign Up to see what your friends like.

213

A New Hydrogen Bond in Coal  

Science Journals Connector (OSTI)

During our study on hydrogen bond in coal by diffuse reflectance IR, we found that a weak peak at 2514 cm-1 always occurred for some coals. ... Infrared absorption spectra of coals and coal extracts ... The FTIR spectra during the heat-up of eight coals (seven Argonne premium coals and an Australian brown coal), an ion-exchange resin, and a lignin were measured every 20 °C from room temp. ...

Dongtao Li; Wen Li; Baoqing Li

2003-04-30T23:59:59.000Z

214

Effects of Bond Stretching on Polymer Statistics  

Science Journals Connector (OSTI)

Effects of Bond Stretching on Polymer Statistics ... When a system becomes strained, longer chain end-to-end separations become more probable and the assumptions that go into the Gaussian chain model are no longer valid. ... The associated probability distribution attaches too much weight to the probabilities at larger end-to-end separations, and a statistical analysis based on this distribution would unrealistically overemphasize the contributions of these longer chains. ...

Gary G. Hoffman

1999-08-10T23:59:59.000Z

215

Bonding on the corrugator; The energy aspects  

SciTech Connect

This paper discusses what new features are needed on the corrugator of the future. The author analyzes trends in the industry of the last 15-20 years. The trends point to more automation and more process and quality control, but new designs will react to new market needs such as just-in-time production and product flexibility. In this paper, the author focuses on the bonding process.

Bradatsch, E. (BHS-Werk Weiherhammer, D-8481 Weiherhammer (DE))

1990-01-01T23:59:59.000Z

216

Cement Bond Log | Open Energy Information  

Open Energy Info (EERE)

Cement Bond Log Cement Bond Log Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Technique: Cement Bond Log Details Activities (0) Areas (0) Regions (0) NEPA(0) Exploration Technique Information Exploration Group: Downhole Techniques Exploration Sub Group: Well Log Techniques Parent Exploration Technique: Acoustic Logs Information Provided by Technique Lithology: Stratigraphic/Structural: Hydrological: Thermal: Cost Information Low-End Estimate (USD): 0.8585 centUSD 8.5e-4 kUSD 8.5e-7 MUSD 8.5e-10 TUSD / foot Median Estimate (USD): 1.25125 centUSD 0.00125 kUSD 1.25e-6 MUSD 1.25e-9 TUSD / foot High-End Estimate (USD): 3.00300 centUSD 0.003 kUSD 3.0e-6 MUSD 3.0e-9 TUSD / foot Time Required Low-End Estimate: 0.35 days9.582478e-4 years 8.4 hours 0.05 weeks 0.0115 months / job

217

Vacuum fusion bonding of glass plates  

DOE Patents (OSTI)

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.

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

2001-01-01T23:59:59.000Z

218

Vacuum fusion bonding of glass plates  

DOE Patents (OSTI)

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.

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

2000-01-01T23:59:59.000Z

219

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

E-Print Network (OSTI)

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

Caflisch, Amedeo

220

Analysis of C H...O hydrogen bonds  

E-Print Network (OSTI)

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

Babu, M. Madan

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

Oil prices and government bond risk premiums Herv Alexandre*  

E-Print Network (OSTI)

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

Boyer, Edmond

222

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

E-Print Network (OSTI)

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

Fayer, Michael D.

223

Metal-phosphate binders  

DOE Patents (OSTI)

A metal-phosphate binder is provided. The binder may include an aqueous phosphoric acid solution, a metal-cation donor including a metal other than aluminum, an aluminum-cation donor, and a non-carbohydrate electron donor.

Howe, Beth Ann [Lewistown, IL; Chaps-Cabrera, Jesus Guadalupe [Coahuila, MX

2009-05-12T23:59:59.000Z

224

Tax-Exempt Bond Financing (Delaware) | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Bond Financing (Delaware) Bond Financing (Delaware) Tax-Exempt Bond Financing (Delaware) < Back Eligibility Utility Commercial Agricultural Investor-Owned Utility State/Provincial Govt Industrial Construction Municipal/Public Utility Local Government Installer/Contractor Rural Electric Cooperative Tribal Government Retail Supplier Systems Integrator Fuel Distributor Transportation Savings Category Alternative Fuel Vehicles Hydrogen & Fuel Cells Buying & Making Electricity Water Home Weatherization Solar Wind Program Info State Delaware Program Type Bond Program Provider Delaware Economic Development Office The Delaware Economic Development Authority provides tax-exempt bond financing for financial assistance to new or expanding businesses, governmental units and certain organizations that are exempt from federal

225

Bond and Loan Program (Arkansas) | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Bond and Loan Program (Arkansas) Bond and Loan Program (Arkansas) Bond and Loan Program (Arkansas) < Back Eligibility Agricultural Commercial Construction Fed. Government Fuel Distributor General Public/Consumer Industrial Installer/Contractor Institutional Investor-Owned Utility Local Government Low-Income Residential Multi-Family Residential Municipal/Public Utility Nonprofit Residential Retail Supplier Rural Electric Cooperative Schools State/Provincial Govt Systems Integrator Transportation Tribal Government Utility Savings Category Alternative Fuel Vehicles Hydrogen & Fuel Cells Buying & Making Electricity Water Home Weatherization Solar Program Info State Arkansas Program Type Bond Program Loan Program Provider Department of Finance and Administration The Bond and Loan programs of Arkansas are four programs designed to

226

Economic Development Bond Program (Iowa) | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Bond Program (Iowa) Bond Program (Iowa) Economic Development Bond Program (Iowa) < Back Eligibility Agricultural Commercial Industrial Institutional Investor-Owned Utility Low-Income Residential Multi-Family Residential Municipal/Public Utility Nonprofit Rural Electric Cooperative Schools Utility Savings Category Alternative Fuel Vehicles Hydrogen & Fuel Cells Buying & Making Electricity Water Home Weatherization Solar Wind Program Info Funding Source Iowa Finance Authority State Iowa Program Type Bond Program Provider Iowa Finance Authority Through its Economic Development Bond Program, the Iowa Finance Authority (IFA) issues tax-exempt bonds on behalf of private entities or organizations for eligible purposes. The responsibility for repayment of the bonds rests with the applicant. Neither IFA nor the State of Iowa has

227

Single-Issue Industrial Revenue Bond Program (Missouri) | Department of  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Single-Issue Industrial Revenue Bond Program (Missouri) Single-Issue Industrial Revenue Bond Program (Missouri) Single-Issue Industrial Revenue Bond Program (Missouri) < Back Eligibility Commercial Construction Industrial Retail Supplier Systems Integrator Utility Savings Category Alternative Fuel Vehicles Hydrogen & Fuel Cells Buying & Making Electricity Water Home Weatherization Solar Program Info State Missouri Program Type Bond Program Provider Missouri Development Finance Board The Missouri Development Finance Board administers a Single-Issue Tax-Exempt Industrial Revenue Bond Program as well as a Taxable Industrial Revenue Bond Program. The Tax-Exempt Program finances (i) the acquisition, construction and equipping of qualified manufacturing production facilities and/or equipment, and (ii) refinances outstanding tax-exempt bonds. It

228

Qualified Energy Conservation Bonds (Ohio) | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Qualified Energy Conservation Bonds (Ohio) Qualified Energy Conservation Bonds (Ohio) Qualified Energy Conservation Bonds (Ohio) < Back Eligibility Agricultural Institutional Local Government Municipal/Public Utility Rural Electric Cooperative Schools Savings Category Buying & Making Electricity Water Home Weatherization Solar Wind Program Info State Ohio Program Type Bond Program Provider Ohio Air Quality Development Authority The Ohio Air Quality Development Authority (OAQDA) administers the Qualified Energy Conservation Bonds (QECB) program in Ohio. QECBs have been used by local governments and public universities to finance the installation of energy conserving equipment in publicly owned buildings. Under a QECB financing package, OAQDA authorizes Air Quality Development Bonds for issuance as a Series A federally tax-exempt bond and a Series B

229

Dual-bonded catalyst layer structure cathode for PEMFC  

Science Journals Connector (OSTI)

Novel electrode structure based on dual-bonded catalyst layer structure is reported to elevate proton exchange membrane fuel cell (PEMFC) cathode performance. Differing from conventional cathode with simplex PTFE or ionomer as binder material in catalyst layer (CL), dual-bonded CL combines those two types of binders, respectively, in a composite structure. In order to develop a cathode possessing the superior merits of both mass transport and proton transfer, a PTFE-rich CL and an ionomer-rich CL were fabricated on gas diffusion layer in proper order. Polarization characteristic of cathodes with dual-bonded CL, conventional PTFE-bonded CL and ionomer-bonded CL were evaluated at ambient pressure in oxygen/air. Better performance of cathode was achieved with dual-bonded, compared with conventional structures. Electric yield rate of dual-bonded cathode was about 50%, whilst that of conventional cathodes was about 40%.

Xuewei Zhang; Pengfei Shi

2006-01-01T23:59:59.000Z

230

Method for bonding a transmission line to a downhole tool  

DOE Patents (OSTI)

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.

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

2007-11-06T23:59:59.000Z

231

Ultrasonic evaluation of beryllium-copper diffusion bonds  

SciTech Connect

A study was performed to compare the effectiveness of several advanced ultrasonic techniques when used to determine the strength of diffusion bonded beryllium-copper, which heretofore have each been applied to only a few material systems. The use of integrated backscatter calculations, frequency domain reflection coefficients, and time-of-flight variance was compared in their ability to characterize the bond strength in a series of beryllium-copper diffusion bond samples having a wide variation in bond quality. Correlation of integrated backscatter calculations and time-of-flight variance with bond strength was good. Some correlation of the slope of the frequency based reflection coefficient was shown for medium and high strength bonds, while its Y-intercept showed moderate correlation for all bond strengths.

Jamieson, E.E.

2000-06-08T23:59:59.000Z

232

Metal Hydrides - Science Needs  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Storage Grand Challenge Pre-Solicitation Meeting, June 19, 2003 1 Metal Hydrides - Science Needs TRADITIONAL METALLIC HYDRIDES: 1.5 to 2 wt.% H. Well studied. COMPLEX...

233

Probing metal solidification nondestructively  

NLE Websites -- All DOE Office Websites (Extended Search)

Probing metal solidification nondestructively This is the first time that high-energy protons have been used to nondestructively image a large metal sample during melting and...

234

Probing metal solidification nondestructively  

NLE Websites -- All DOE Office Websites (Extended Search)

Probing metal solidification nondestructively This is the first time that high-energy protons have been used to nondestructively image a large metal sample during melting...

235

Bond energy effects on strength, cooperativity and robustness of molecular structures  

Science Journals Connector (OSTI)

...robustness at smaller bond energy lower strength at smaller bond energy bond spacing L 0 higher...biology of the cell. New York, NY: Taylor Francis...Cracks and fracture. New York, NY: Academic Press. Bond energy effects on strength...

2011-01-01T23:59:59.000Z

236

Bond selective chemistry beyond the adiabatic approximation  

SciTech Connect

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.

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

1993-12-01T23:59:59.000Z

237

Repairable chip bonding/interconnect process  

DOE Patents (OSTI)

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.

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

1997-01-01T23:59:59.000Z

238

Superalloy Surface Treatment for Improved Metal Performance  

NLE Websites -- All DOE Office Websites (Extended Search)

Superalloy Surface Treatment Superalloy Surface Treatment for Improved Metal Performance Opportunity Research is active on the patent pending technology, titled "Method to Improve Superalloy Resistance by Surface Treatment." This technology is available for licensing and/or further collaborative research from the U.S. Department of Energy's National Energy Technology Laboratory (NETL). Overview To produce power more efficiently and cleanly, the next generation of power and aero turbines along with other essential components will have to operate at extreme temperatures and pressures. Currently advanced single crystal nickel-based superalloys are used in such extreme environments. Even though these components are coated with a bond

239

Thermochemistry for Hydrocarbon Intermediates Chemisorbed on Metal Surfaces: CHn-m(CH3)m with n ) 1, 2, 3 and m e n on Pt, Ir,  

E-Print Network (OSTI)

for hydrocarbons on metal surfaces similar to the Benson scheme so useful for gas-phase hydrocarbons. This is used-bond isomerization of olefins, (3) dehydrogenation and dehydro- isomerization to aromatics, (4) isomerization processes. Although molecular orbital and valence bond theories have helped explain the nature of reactivity

Goddard III, William A.

240

Heavy metal biosensor  

DOE Patents (OSTI)

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

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

2014-04-15T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


241

Creep analysis of solid oxide fuel cell with bonded compliant seal design  

Science Journals Connector (OSTI)

Abstract Solid oxide fuel cell (SOFC) requires good sealant because it works in harsh conditions (high temperature, thermal cycle, oxidative and reducing gas environments). Bonded compliant seal (BCS) is a new sealing method for planar SOFC. It uses a thin foil metal to bond the window frame and cell, achieving the seal between window frame and cell. At high temperature, a comprehensive evaluation of its creep strength is essential for the adoption of BCS design. In order to characterize the creep behavior, the creep induced by thermal stresses in SOFC with BCS design is simulated by finite element method. The results show that the foil is compressed and large thermal stresses are generated. The initial peak thermal stress is located in the thin foil because the foil acts as a spring stores the thermal stresses by elastic and plastic deformation in itself. Serving at high temperature, initial thermal displacement is partially recovered because of the creep relaxation, which becomes a new discovered advantage for BCS design. It predicts that the failures are likely to happen in the middle of the cell edge and BNi-2 filler metal, because the maximum residual displacement and creep strain are located.

Wenchun Jiang; Yucai Zhang; Yun Luo; J.M. Gong; S.T. Tu

2013-01-01T23:59:59.000Z

242

Discovery of N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide (BMS-777607), a Selective and Orally Efficacious Inhibitor of the Met Kinase Superfamily  

SciTech Connect

Substituted N-(4-(2-aminopyridin-4-yloxy)-3-fluoro-phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamides were identified as potent and selective Met kinase inhibitors. Substitution of the pyridine 3-position gave improved enzyme potency, while substitution of the pyridone 4-position led to improved aqueous solubility and kinase selectivity. Analogue 10 demonstrated complete tumor stasis in a Met-dependent GTL-16 human gastric carcinoma xenograft model following oral administration. Because of its excellent in vivo efficacy and favorable pharmacokinetic and preclinical safety profiles, 10 has been advanced into phase I clinical trials.

Schroeder, Gretchen M.; An, Yongmi; Cai, Zhen-Wei; Chen, Xiao-Tao; Clark, Cheryl; Cornelius, Lyndon A.M.; Dai, Jun; Gullo-Brown, Johnni; Gupta, Ashok; Henley, Benjamin; Hunt, John T.; Jeyaseelan, Robert; Kamath, Amrita; Kim, Kyoung; Lippy, Jonathan; Lombardo, Louis J.; Manne, Veeraswamy; Oppenheimer, Simone; Sack, John S.; Schmidt, Robert J.; Shen, Guoxiang; Stefanski, Kevin; Tokarski, John S.; Trainor, George L.; Wautlet, Barri S.; Wei, Donna; Williams, David K.; Zhang, Yingru; Zhang, Yueping; Fargnoli, Joseph; Borzilleri, Robert M.; (BMS)

2009-12-01T23:59:59.000Z

243

The Ohio Enterprise Bond Fund (Ohio) | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Bond Fund (Ohio) Bond Fund (Ohio) The Ohio Enterprise Bond Fund (Ohio) < Back Eligibility Commercial State/Provincial Govt Industrial Local Government Nonprofit Savings Category Alternative Fuel Vehicles Hydrogen & Fuel Cells Buying & Making Electricity Water Home Weatherization Solar Wind Maximum Rebate $10 million Program Info Funding Source Ohio Treasurer of State Start Date 1988 State Ohio Program Type Bond Program The Ohio Enterprise Bond Fund (OEBF) was created in 1988 to promote economic development, create and retain quality jobs and assist governmental operations. The program enables non-profit and for-profit borrowers to access the national capital markets through bonds issued through OEBF. The program is administered by the Ohio Department of Development and financing is provided by the Ohio Treasurer of State.

244

A Surprising Path for Proton Transfer Without Hydrogen Bonds  

NLE Websites -- All DOE Office Websites (Extended Search)

A Surprising Path for Proton Transfer Without Hydrogen Bonds Print 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 results from the attractive dipolar interaction of a chemical group containing a hydrogen atom with a group containing an electronegative atom, such as nitrogen, oxygen, or fluorine, in the same or a different molecule. Conventional wisdom has it that proton transfer from one molecule to another can only happen via hydrogen bonds. Recently, a team of Berkeley Lab and University of Southern California researchers, using the ALS, discovered to their surprise that in some cases, protons can find ways to transfer even when hydrogen bonds are blocked. Sometimes You Have to

245

Ultrasonic NDT of titanium diffusion bonding with guided waves  

SciTech Connect

An ultrasonic guided wave technique is developed for the NDT of diffusion bonded titanium-to-titanium structures. A three-layer model based on the normal beam experimental results has been proposed. Dispersion curves and wave structure are analyzed to direct the experimental study. Two features related to Lamb waves propagating in diffusion bonded titanium plates, the spectral peak to peak ratios and the wave mode frequency shift, are extracted from the guided wave experimental results for both 2 mm (0.08 in.) and 4 mm (0.16 in.) diffusion bond panels. It is found for some specific modes and frequencies that these two features are sensitive to the diffusion bonding states and, therefore, could be used to distinguish good bond panels from poor bond ones.

Rose, J.L.; Zhu, W. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Engineering Science and Mechanics; Zaidi, M. [Boeing Co., Long Beach, CA (United States)

1998-04-01T23:59:59.000Z

246

A Surprising Path for Proton Transfer Without Hydrogen Bonds  

NLE Websites -- All DOE Office Websites (Extended Search)

A Surprising Path for Proton Transfer Without Hydrogen Bonds Print 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 results from the attractive dipolar interaction of a chemical group containing a hydrogen atom with a group containing an electronegative atom, such as nitrogen, oxygen, or fluorine, in the same or a different molecule. Conventional wisdom has it that proton transfer from one molecule to another can only happen via hydrogen bonds. Recently, a team of Berkeley Lab and University of Southern California researchers, using the ALS, discovered to their surprise that in some cases, protons can find ways to transfer even when hydrogen bonds are blocked. Sometimes You Have to

247

Bond formation at the Ni/ZrO2 interface  

Science Journals Connector (OSTI)

We report on the formation of strong chemical bonds at the Ni(100)/cubic-ZrO2(100) polar interfaces. Ab initio density functional theory calculations demonstrate that both Zr/Ni and O/Ni junctions are energetically stable, and predict that two different interactions determine the interface adhesion. Our results reveal that O-Ni ionic bonds are formed by Ni electron donation, while the Zr-Ni bonds show a mixed character with ionic and electron hybridization contributions.

J. I. Beltrán; S. Gallego; J. Cerdá; J. S. Moya; M. C. Muñoz

2003-08-07T23:59:59.000Z

248

Metal-nonmetal transition in metal-ammonia solutions  

Science Journals Connector (OSTI)

In this paper we present a coherent physical picture of the metal-nonmetal transition in metal-ammonia solutions in the intermediate concentration range. We propose that in Li-NH3 and Na-NH3 solutions the metallic propagation regime is separated from a nonmetallic regime by a microscopically inhomogeneous regime in which the concentration fluctuates locally about either of two well-defined values M0 and M1, M0>M1, the local concentration remaining near M0 or M1 over radii approximately equal to the Debye short correlation length b for concentration fluctuations. Provided that the concentration-fluctuation decay length is much smaller than b, we can define a percolation problem in which a volume fraction C of the material is occupied by metallic regions of concentration M0, the remainder containing the low concentration M1 of dissociated electron-cation complexes. M0 and M1 constitute the upper and the lower bounds of the inhomogeneous regime, respectively, while C exhibits a linear dependence on M. This physical picture is borne out by concentration-fluctuation determinations based on chemical-potential measurements in Li and Na solutions and by small-angle x-ray and neutron scattering in Li solutions. Assuming that the phase-coherence length of the conduction electrons is shorter than b and having demonstrated that tunneling corrections are negligible, we can define local electronic structure and transport properties. The limits of the inhomogeneous regime were determined from a combination of concentration-fluctuation measurements, electrical conductivity, Hall effect, and paramagnetic susceptibility data to be M0=9 mole percent metal (MPM) and M1=2(13) MPM, which yield the C scale, C=[M-2(13)]6(23), for both Li-NH3 at 223°K and for Na-NH3 at 240°K. We have also established the consistency of our picture with the available magnetic data for Na solutions. An analysis of the electronic and the thermal transport properties was carried out in terms of an effective-medium theory, modified to account for scattering from the boundaries of the metallic clusters. For low values of the conductivity ratio (? 10-3) between the nonmetallic and the metallic regions the modified effective-medium theory is valid for C>0.4. In an attempt to mimic the features of continuous percolation, we have carried out numerical simulations of the conductivity in a simple cubic lattice incorporating correlation between metallic bonds. An excellent fit of the experimental conductivity data for Li and Na with the results of the numerical simulations has been obtained over a three order of magnitude variation of the conductivity throughout the entire inhomogeneous regime. A small systematic negative deviation of the conductivity from the predictions of the effective-medium theory for C>0.4 can be properly accounted for in terms of boundary scattering corrections resulting in b?15 Å for Li at 223°K and b?32 Å for Na at 240°K. The overall agreement of the experimental Hall effect, Hall mobility, thermalconductivity, and thermoelectric-power data with the effective-medium theory is good. The proposed inhomogeneous regime in Li and Na solutions resembles a macroscopic mixed phase at a concentration inside a coexistence curve but with mixing on a microscopic scale. The concentration fluctuations in the inhomogeneous state have nothing to do with critical fluctuations; nevertheless, this state seems to be closely associated with the occurrence of a phase separation.

Joshua Jortner and Morrel H. Cohen

1976-02-15T23:59:59.000Z

249

Torsion Testing of Diffusion Bonded LIGA Formed Nickel  

SciTech Connect

A test technique has been devised which is suitable for the testing of the bond strength of batch diffusion bonded LIGA or DXRL defined structures. The method uses a torsion tester constructed with the aid of LIGA fabrication and distributed torsion specimens which also make use of the high aspect ratio nature of DXRL based processing. Measurements reveal achieved bond strengths of 130MPa between electroplated nickel with a bond temperature of 450 C at 7 ksi pressure which is a sufficiently low temperature to avoid mechanical strength degradation.

Buchheit, T.E.; Christenson, T.R.; Schmale, D.T.

1999-01-27T23:59:59.000Z

250

Shear strength of composite bonded to laser-pretreated dentin  

SciTech Connect

As research progresses, laser energy moves closer to acceptable usefulness. Laser application to prepare dentin creates a more retentive surface for composite bonding.

Cooper, L.F.; Myers, M.L.; Nelson, D.G.; Mowery, A.S.

1988-07-01T23:59:59.000Z

251

Intramolecular hydrogen bonding as a synthetic tool to induce...  

NLE Websites -- All DOE Office Websites (Extended Search)

Intramolecular hydrogen bonding as a synthetic tool to induce chemical selectivity in acid catalyzed porphyrin synthesis Authors: Megiatto, J. D., Patterson, D., Sherman, B. D.,...

252

Hydrogen-Bond Networks: Strengths of Different Types of Hydrogen...  

NLE Websites -- All DOE Office Websites (Extended Search)

energetic driving force for enzyme catalysis and conformational changes such as in protein folding due to multiple hydrogen bonds in a HBN. Citation: Shokri A, Y Wang, GA...

253

Low-Cost Direct Bonded Aluminum (DBA) Substrates | Department...  

Energy Savers (EERE)

(DBA) Substrates Low-Cost Direct Bonded Aluminum (DBA) Substrates 2012 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation...

254

Low-Cost Direct Bonded Aluminum (DBA) Substrates | Department...  

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

Aluminum (DBA) Substrates Low-Cost Direct Bonded Aluminum (DBA) Substrates 2011 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and...

255

ORNL: Low-Cost Direct Bonded Aluminum (DBA) Substrates (Agreement...  

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

Direct Bonded Aluminum (DBA) Substrates (Agreement ID:23278) 2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer...

256

ORNL: Low-Cost Direct Bonded Aluminum (DBA) Substrates (Agreement...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Low-Cost Direct Bonded Aluminum (DBA) Substrates H. -T. Lin, A. A. Wereszczak, and S. Waters Oak Ridge National Laboratory This presentation does not contain any proprietary,...

257

Digital Bond Fact Sheet.cdr  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

cost-shared effort between industry and cost-shared effort between industry and Cyber Security Audit and Attack Detection Toolkit Cyber Security Audit and Attack Detection Toolkit Bandolier Audit Files for optimizing security configurations and the Portaledge event detection capability for energy control systems Bandolier Audit Files for optimizing security configurations and the Portaledge event detection capability for energy control systems Cyber Security for Energy Delivery Systems Electricity Delivery & Energy Reliability Project Lead: Digital Bond Partners: OSIsoft Tenable Network Security PacifiCorp Tennessee Valley Authority Other Participating Vendors: ABB AREVA Emerson Matrikon SNC Telvent Bandolier and Portaledge The Concept Bandolier-The Approach By building configuration audit and attack detection capabilities into tools already

258

Wafer bonded epitaxial templates for silicon heterostructures  

DOE Patents (OSTI)

A heterostructure device layer is epitaxially grown on a virtual substrate, such as an InP/InGaAs/InP double heterostructure. A device substrate and a handle substrate form the virtual substrate. The device substrate is bonded to the handle substrate and is composed of a material suitable for fabrication of optoelectronic devices. The handle substrate is composed of a material suitable for providing mechanical support. The mechanical strength of the device and handle substrates is improved and the device substrate is thinned to leave a single-crystal film on the virtual substrate such as by exfoliation of a device film from the device substrate. An upper portion of the device film exfoliated from the device substrate is removed to provide a smoother and less defect prone surface for an optoelectronic device. A heterostructure is epitaxially grown on the smoothed surface in which an optoelectronic device may be fabricated.

Atwater, Jr., Harry A. (So. Pasadena, CA); Zahler, James M. (Pasadena, CA); Morral, Anna Fontcubera I (Paris, FR)

2008-03-11T23:59:59.000Z

259

Ternary metal-rich sulfide with a layered structure  

DOE Patents (OSTI)

A ternary Nb-Ta-S compound is provided having the atomic formula, Nb.sub.1.72 Ta.sub.3.28 S.sub.2, and exhibiting a layered structure in the sequence S-M3-M2-M1-M2-M3-S wherein S represents sulfur layers and M1, M2, and M3 represent Nb/Ta mixed metal layers. This sequence generates seven sheets stacked along the [001] direction of an approximate body centered cubic crystal structure with relatively weak sulfur-to-sulfur van der Waals type interactions between adjacent sulfur sheets and metal-to-metal bonding within and between adjacent mixed metal sheets.

Franzen, Hugo F. (Ames, IA); Yao, Xiaoqiang (Ames, IA)

1993-08-17T23:59:59.000Z

260

Vacancy Hardening and Softening in Transition Metal Carbides and Nitrides  

SciTech Connect

The effects of vacancies on mechanical properties of the transition metal carbides and nitrides are studied using the ab initio pseudopotential approach. Calculated shear elastic stiffness and electronic structures show that the vacancy produces entirely different effects on the mechanical strength of groups IVb nitrides and Vb carbides. It is found that the occupation of shear-unstable metallic dd bonding states changes essentially in an opposite way for the carbides and nitrides in the presence of vacancies, resulting in different responses to shear stress. Our study provides an atomistic understanding of the anomaly in hardness for these substoichiometric materials.

Jhi, Seung-Hoon; Louie, Steven G.; Cohen, Marvin L.; Ihm, Jisoon

2001-04-09T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


261

Method of bonding single crystal quartz by field-assisted bonding  

DOE Patents (OSTI)

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.

Curlee, Richard M. (Tijeras, NM); Tuthill, Clinton D. (Edgewood, NM); Watkins, Randall D. (Albuquerque, NM)

1991-01-01T23:59:59.000Z

262

Metal-Air Batteries  

SciTech Connect

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.

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

2011-08-01T23:59:59.000Z

263

Synthesis Of Fluorescent Metal Nanoclusters  

NLE Websites -- All DOE Office Websites (Extended Search)

Synthesis Of Fluorescent Metal Nanoclusters Synthesis Of Fluorescent Metal Nanoclusters Fluorescent metal nanoclusters were prepared. Available for thumbnail of Feynman Center...

264

Metal phthalocyanine catalysts  

DOE Patents (OSTI)

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.

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

1994-01-01T23:59:59.000Z

265

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

E-Print Network (OSTI)

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).

Dash, Monika

2013-01-01T23:59:59.000Z

266

Clean Renewable Energy Bonds (CREBs) | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Clean Renewable Energy Bonds (CREBs) Clean Renewable Energy Bonds (CREBs) Clean Renewable Energy Bonds (CREBs) < Back Eligibility Local Government Municipal Utility Rural Electric Cooperative Schools State Government Tribal Government Savings Category Bioenergy Buying & Making Electricity Water Solar Wind Program Info Start Date 09/01/2010 (New CREBs Electric Cooperatives Solicitation) Expiration Date 11/01/2010 Program Type Federal Loan Program Rebate Amount Varies Provider U.S. Internal Revenue Service '''''Note: The IRS is not currently accepting applications for New CREB bond volume. The deadline for New CREB applications from electric cooperatives under IRS Announcement 2010-54 expired November 1, 2010. Bond volume for other eligible sectors (government entities and public power providers) was fully allocated in October 2009.

267

Renewable Energy Project Bond Program | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Project Bond Program Project Bond Program Renewable Energy Project Bond Program < Back Eligibility Commercial Savings Category Bioenergy Commercial Heating & Cooling Manufacturing Buying & Making Electricity Alternative Fuel Vehicles Hydrogen & Fuel Cells Water Solar Wind Program Info State Idaho Program Type State Bond Program Provider Idaho Energy Resources Authority Legislation enacted in Idaho in April 2005 ([http://legislature.idaho.gov/legislation/2005/S1192.html Senate Bill 1192]) allows independent (non-utility) developers of renewable energy projects in the state to request financing from the Idaho Energy Resources Authority, a state bonding authority created in March 2005 by the Environment, Energy and Technology Energy Resources Authority Act (House Bill 106). The authority was created to finance the construction of

268

Energetics of Hydrogen Bond Network Rearrangements in Liquid Water  

NLE Websites -- All DOE Office Websites (Extended Search)

Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print 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 directional hydrogen bonding (H-bonding) network structure and its associated dynamics. However, despite intense experimental and theoretical scrutiny, a complete description of this structure has been elusive. Recently, with the help of their novel liquid microjet apparatus, a University of California, Berkeley, group derived a new energy criterion for H-bonds based on experimental data. With this new criterion based on analysis of the temperature dependence of the x-ray absorption spectra of normal and supercooled liquid water, they concluded that the traditional structural model of water is valid.

269

Energetics of Hydrogen Bond Network Rearrangements in Liquid Water  

NLE Websites -- All DOE Office Websites (Extended Search)

Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print 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 directional hydrogen bonding (H-bonding) network structure and its associated dynamics. However, despite intense experimental and theoretical scrutiny, a complete description of this structure has been elusive. Recently, with the help of their novel liquid microjet apparatus, a University of California, Berkeley, group derived a new energy criterion for H-bonds based on experimental data. With this new criterion based on analysis of the temperature dependence of the x-ray absorption spectra of normal and supercooled liquid water, they concluded that the traditional structural model of water is valid.

270

Energetics of Hydrogen Bond Network Rearrangements in Liquid Water  

NLE Websites -- All DOE Office Websites (Extended Search)

Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print 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 directional hydrogen bonding (H-bonding) network structure and its associated dynamics. However, despite intense experimental and theoretical scrutiny, a complete description of this structure has been elusive. Recently, with the help of their novel liquid microjet apparatus, a University of California, Berkeley, group derived a new energy criterion for H-bonds based on experimental data. With this new criterion based on analysis of the temperature dependence of the x-ray absorption spectra of normal and supercooled liquid water, they concluded that the traditional structural model of water is valid.

271

MECS 2006- Fabricated Metals  

Energy.gov (U.S. Department of Energy (DOE))

Manufacturing Energy and Carbon Footprint for Fabricated Metals (NAICS 332) Sector with Total Energy Input, October 2012 (MECS 2006)

272

Performance Study of ScepterTM Metal Bond Diamond Grinding Wheel  

SciTech Connect

Advanced ceramics are attractive for many applications in the transportation, energy, military, and industrial markets because they possess properties of high-temperature durability, corrosion resistance, strength, hardness, stiffness, and wear resistance. Unfortunately, these same properties make advanced ceramics more difficult to machine than traditional materials. The reliability and manufacturing costs of advanced ceramic components are significant concerns that must be overcome. Nevertheless, the use of advanced ceramic materials is expected to increase dramatically in new transportation systems in response to more stringent energy conservation and pollution reduction requirements. This study discusses the goals, commercialization plans, phased development, scale-up, testing, and external verification of performance of the innovative grinding wheel that evolved from the project.

Denison, S.K.; Licht, R.W.; McSpadden, S.B., Jr.; Parten, R.J.; Picone, J.W.; Shelton, J.E.

1999-06-17T23:59:59.000Z

273

Synthesis and reactivity of sterically congested metallacyclobutenes and metal-mediated carbon-sulfur bond activation  

E-Print Network (OSTI)

methods for this conversion typically involve the production of byproducts like carbon monoxide and hydrogen

Vélez, Carmen L.

2011-01-01T23:59:59.000Z

274

Synthesis and reactivity of sterically congested metallacyclobutenes and metal-mediated carbon-sulfur bond activation  

E-Print Network (OSTI)

assigned to the (C! C) stretch. iPr N i Pr N N i Pr -COD + 2 [Ni(COD) 2 ] N iPrN iPr iPr N Ni Ni iPr iPr iPr N N iPr N Ni iPr N iPr Scheme

Vélez, Carmen L.

2011-01-01T23:59:59.000Z

275

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

E-Print Network (OSTI)

....................................................................................................................... 227 x LIST OF FIGURES Page Figure 2-1 1H NMR spectra of 201-OTf, 201-BArF4, 201-CB11H12 in CD2Cl2 ... 42 Figure 2-2 ORTEP drawing (50% probability ellipsoids) of 202-BArF4 ............ 49 Figure 2-3 ORTEP drawing (50% probability... as a function of pyridine concentration 81 Figure 3-3 ORTEP drawing of 312 (50% thermal ellipsoids) ............................ 85 Figure 4-1 Variable temperature 19F NMR spectra of 407 in PhF ...................... 113 Figure 4-2 Variable...

Zhu, Yanjun

2012-07-16T23:59:59.000Z

276

Synthesis and reactivity of sterically congested metallacyclobutenes and metal-mediated carbon-sulfur bond activation  

E-Print Network (OSTI)

33. O'Connor, J. M. ; Bunker, K.V. , J. Organomet. Chem.28, 394. (3) Holland, R. L. ; Bunker, K. D. ; Chen, C.H. ;10801. 63. Holland, R. L. ; Bunker, K. D. ; Chen, C. H. ;

Vélez, Carmen L.

2011-01-01T23:59:59.000Z

277

Application of standard SSC test methods for evaluating metallic components of non-bonded flexible pipe  

SciTech Connect

Floating production platforms for oil and gas commonly utilize flexible risers. These multi-layered pipes contain carbon steel wires to provide both hoop strength and axial strength. Aggressive production environments containing hydrogen sulfide necessitate the selection of steels that meet the requirements of MR0175. The wires have been tested for use in sour gas environments in accordance with NACE and API requirements. Modifications to the sour service testing methods which were made to meet the requirements of API 17J, Draft Specification for Unbonded Flexible Pipe, are discussed and the results are summarized.

Ethridge, A.D. [Wellstream, Inc., Panama City, FL (United States); Cayard, M.S. [CLI International, Inc., Houston, TX (United States)

1997-08-01T23:59:59.000Z

278

Stereochemistryof Reactionsat Carbon-Transition Metal o Bonds. (CH,),CCHDCHDFe(CO),C,H^'  

E-Print Network (OSTI)

involvesintermediatefree carbon radicalsor ions or occurs by SN2 or Sn2 transition states. It is experimentally difficult,3-dimethylbutan-l-ol-1,2-dz(1) are de- scribed. Reaction of the p-bromobenzenesulfonateestersof 1 with C,4-dimethylpentanoic-2,3-d2acid with >90% retention of configuration at carbon. Reaction of 2 with sulfur dioxide

Prentiss, Mara

279

Interfacial and near interfacial crack growth phenomena in metal bonded alumina  

E-Print Network (OSTI)

studies looking at subcritical crack growth at interfaces,An understanding of subcritical crack growth is important,the amount of subcritical crack growth data that could be

Kruzic, Jamie Joseph

2002-01-01T23:59:59.000Z

280

Deposition of Contiguous Metal Adlayer on Transition Metal Nanostructu...  

NLE Websites -- All DOE Office Websites (Extended Search)

and Abstract Primary Lab Date Application 20100099012 Application 20100099012 Electrocatalyst Synthesized by Depositing a Contiguous Metal Adlayer on Transition Metal...

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


281

Measuring Electrostatic Fields in Both Hydrogen-Bonding and Non-Hydrogen-Bonding Environments Using Carbonyl Vibrational Probes  

E-Print Network (OSTI)

of the probe's difference dipole, which is determined by measuring the vibrational Stark effect and definesMeasuring Electrostatic Fields in Both Hydrogen-Bonding and Non- Hydrogen-Bonding Environments Using Carbonyl Vibrational Probes Stephen D. Fried, Sayan Bagchi, and Steven G. Boxer* Department

Boxer, Steven G.

282

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

SciTech Connect

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.

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

2008-09-01T23:59:59.000Z

283

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

E-Print Network (OSTI)

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...

Pitts, Amanda

2013-08-27T23:59:59.000Z

284

Transition metal chemistry of 1,3-diynes, poly-ynes, and related compounds  

Science Journals Connector (OSTI)

Publisher Summary This chapter discusses the complexes with ?-bonded diynyl and poly-ynyl ligands, together with a description of their reaction chemistry and routine spectroscopic properties, followed by a description of the various ?2-bonded systems featuring one or more metal centers. Introduction of two or more terminal diyne units, either at a metal center or, for example, on a ?-ring complex, leads to the possibility of generating metal-containing polymers. Experimental and theoretical work leading to a description of the MC- and CC-bonding interactions in di- and poly-ynyl systems is presented in the chapter. Numerous reactions of diynes and poly-ynes with metal species that lead to products distinct from those previously discussed are described in, as are C–C bond forming reactions that lead to poly-ynes. Other ligands containing diynyl groups are discussed in the chapter. The preparative chemistry and electronic structures (where possible) of metalladiynes are discussed, and a survey of novel materials obtained from diyne complexes are reviewed.

Paul J. Low; Michael I. Bruce

2001-01-01T23:59:59.000Z

285

Extraction process for removing metallic impurities from alkalide metals  

DOE Patents (OSTI)

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.

Royer, L.T.

1987-03-20T23:59:59.000Z

286

E-Print Network 3.0 - adhesively bonded lap Sample Search Results  

NLE Websites -- All DOE Office Websites (Extended Search)

The lap-shear strengths of adhesively bonded polystyrene (PS), high-density polyethylene (HDPE... bonded in a lap-shear geometry. The bonded area of adhesion was nominally...

287

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

E-Print Network (OSTI)

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 (

Fayer, Michael D.

288

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

SciTech Connect

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.

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

2013-11-27T23:59:59.000Z

289

Sumitomo Metal Industries Ltd Sumitomo Metals | Open Energy Information  

Open Energy Info (EERE)

Sumitomo Metal Industries Ltd Sumitomo Metals Sumitomo Metal Industries Ltd Sumitomo Metals Jump to: navigation, search Name Sumitomo Metal Industries Ltd (Sumitomo Metals) Place Osaka-shi, Osaka, Japan Zip 540-0041 Sector Solar Product Engaged in the steel, engineering, and electronics businesses; works on fuel cell component technology and manufactures silicon wafers for the solar sector. References Sumitomo Metal Industries Ltd (Sumitomo Metals)[1] LinkedIn Connections CrunchBase Profile No CrunchBase profile. Create one now! This article is a stub. You can help OpenEI by expanding it. Sumitomo Metal Industries Ltd (Sumitomo Metals) is a company located in Osaka-shi, Osaka, Japan . References ↑ "Sumitomo Metal Industries Ltd (Sumitomo Metals)" Retrieved from "http://en.openei.org/w/index.php?title=Sumitomo_Metal_Industries_Ltd_Sumitomo_Metals&oldid=351744"

290

Semi-flexible hydrogen-bonded and non-hydrogen bonded lattice polymers  

E-Print Network (OSTI)

We investigate the addition of stiffness to the lattice model of hydrogen-bonded polymers in two and three dimensions. We find that, in contrast to polymers that interact via a homogeneous short-range interaction, the collapse transition is unchanged by any amount of stiffness: this supports the physical argument that hydrogen bonding already introduces an effective stiffness. Contrary to possible physical arguments, favouring bends in the polymer does not return the model's behaviour to that comparable to the semi-flexible homogeneous interaction model, where the canonical $\\theta$-point occurs for a range of parameter values. In fact, for sufficiently large bending energies the crystal phase disappears altogether, and no phase transition of any type occurs. We also compare the order-disorder transition from the globule phase to crystalline phase in the semi-flexible homogeneous interaction model to that for the fully-flexible hybrid model with both hydrogen and non-hydrogen like interactions. We show that these phase transitions are of the same type and are a novel polymer critical phenomena in two dimensions. That is, it is confirmed that in two dimensions this transition is second-order, unlike in three dimensions where it is known to be first order. We also estimate the crossover exponent and show that there is a divergent specific heat, finding $\\phi=0.7(1)$ or equivalently $\\alpha=0.6(2)$. This is therefore different from the $\\theta$ transition, for which $\\alpha=-1/3$.

J Krawczyk; AL Owczarek; T Prellberg

2008-07-06T23:59:59.000Z

291

Chemically bonded phosphate ceramics for low-level mixed waste stabilization  

SciTech Connect

Novel chemically bonded phosphate ceramics (CBPCs) are being developed and fabricated for low-temperature stabilization and solidification of mixed waste streams which are amenable to conventional high-temperature stabilization processes due to presence of volatiles such as heavy metal chloride and fluorides and/or pyrophorics in the wastes. Phosphates of Mg, Mg-Na and Zr are being developed as candidate matrix materials. In this paper, we present the fabrication procedures of phosphate waste forms using surrogates compositions of three typical mixed wastes streams -- ash, cement sludges, and salts. The performance of the final waste forms such as compression strength, leachability of the contaminants, durability in aqueous environment were conducted. In addition, parameteric studies have been conducted to establish the optimal waste loading in a particular binder system. Based on the results, we present potential applications in the treatment of various mixed waste streams.

Singh, D.; Wagh, A.S.; Cunnane, J.C. [Argonne National Lab., IL (United States); Mayberry, J.L. [Science Applications International Corp., Idaho Falls, ID (United States)

1994-12-31T23:59:59.000Z

292

E-Print Network 3.0 - adhesive bond strength Sample Search Results  

NLE Websites -- All DOE Office Websites (Extended Search)

The lap-shear strengths of adhesively bonded polystyrene (PS), high-density polyethylene (HDPE... 12;strength of the substrate, or the adhesive strength of the bond 9....

293

E-Print Network 3.0 - affects durably bonding Sample Search Results  

NLE Websites -- All DOE Office Websites (Extended Search)

adhesive layers are less affected, creep behavior of adhesively bonded joints... ABSTRACT SMITH, GLEN. Bond Characteristics and Qualifications of Adhesives for ... Source:...

294

E-Print Network 3.0 - alteredintramolecular hydrogen-bonding...  

NLE Websites -- All DOE Office Websites (Extended Search)

alteredintramolecular hydrogen-bonding pattern Search Powered by Explorit Topic List Advanced Search Sample search results for: alteredintramolecular hydrogen-bonding pattern Page:...

295

E-Print Network 3.0 - amide bonds stabilize Sample Search Results  

NLE Websites -- All DOE Office Websites (Extended Search)

Amide-Amide and Amide-Water Hydrogen Bonds Summary: Bonds: Implicationsfor Protein Folding and Stability Eric S.Eberhardt and Ronald T. Rained Department... folds, many of...

296

Laser surface roughening of PTFE for increased bonding strength  

Science Journals Connector (OSTI)

Treatment of pure Teflon (PTFE) with UV laser pulses (193 nm) produces area-selective rough surfaces. These irradiated areas are bondable with ordinary adhesives. The stability of the bonds is about one order ...

M. Rauh; J. Ihlemann; A. Koch

2007-08-01T23:59:59.000Z

297

Ultrafast structural fluctuations and rearrangements of water's hydrogen bonded network  

E-Print Network (OSTI)

Aqueous chemistry is strongly influenced by water's ability to form an extended network of hydrogen bonds. It is the fluctuations and rearrangements of this network that stabilize reaction products and drive the transport ...

Loparo, Joseph J. (Joseph John)

2007-01-01T23:59:59.000Z

298

Economic Significance, Survey of Applications, and Six Bonding Functions  

Science Journals Connector (OSTI)

The following remarks will review the uses of phenolic resins and their distribution throughout the various areas of application, making reference to the six “bonding functions” that phenolic resins mainly ass...

Dr. Arno Gardziella; Dr. Louis A. Pilato; Dr. Andre Knop

2000-01-01T23:59:59.000Z

299

Bond resonance energy and verification of the isolated pentagon rule  

SciTech Connect

The isolated pentagon rule (IPR) states that fullerenes with isolated pentagons are kinetically much more stable than their fused pentagon counterparts. This rule can be verified in terms of a graph-theoretically defined bond resonance energy. In general, a {pi} bond shared by two pentagons has a large negative bond resonance energy, thus contributing significantly to the increase in kinetic instability or chemical reactivity of the molecule. The existence of such highly antiaromatic local structures sharply distinguishes IPR-violating fullerenes from isolated-pentagon isomers. {pi}bonds shared by two pentagons are shared by many antiaromatic conjugated circuits but not by relatively small aromatic conjugated circuits. 39 refs., 3 figs., 5 tabs.

Aihara, Jun Ichi [Shizuoka Univ. (Japan)

1995-04-12T23:59:59.000Z

300

Surface Modification by Atmospheric Pressure Plasma for Improved Bonding  

E-Print Network (OSTI)

prepared using (a) the IPA wipe (control), (b) sanding, (c)of aluminum alloy 2024: a) IPA wiped, b) sanded with 180bond primer with a) the IPA wipe (control), b) sanding, c)

Williams, Thomas Scott

2013-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


301

Low-Cost Financing with Clean Renewable Energy Bonds  

Energy.gov (U.S. Department of Energy (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.

302

Nature of Bridging Bonds in Lithium and Potassium Acetate Dimers  

Science Journals Connector (OSTI)

The structures of lithium and potassium acetates were studied by the RHF/6-31G*...3COOLi)2 and (CH3COOK)2 are electrostatic in nature. The bridging lithium bond is intermediate between hydrogen and ionic, ... of ...

I. A. Panteleev; S. G. Semenov; D. N. Glebovskii

303

Mpemba paradox: Hydrogen bond memory and water-skin supersolidity  

E-Print Network (OSTI)

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.

Chang Q Sun

2015-01-05T23:59:59.000Z

304

Conservation of bond lengths in strained Ge-Si layers  

Science Journals Connector (OSTI)

The combined techniques of x-ray-absorption fine structure and x-ray diffraction have been used to study the strain and bond distortions in epitaxial Ge-Si on Si(001). In a 31% Ge, 340-Å pseudomorphic Ge-Si film, the Ge-Ge and Ge-Si first-neighbor bond lengths have been found to be 2.44±0.02 and 2.38±0.02 Å, respectively. The lattice parameter perpendicular to the Ge-Si/Si(001) interface has been found to be a?=5.552±0.002 Å, in agreement with the predictions of macroscopic elastic theory. These results show that the bond-length strain in the epitaxial layer appears in the second and higher coordination shells, rather than in the nearest-neighbor bond lengths, which remain the same as in unstrained Ge-Si. A microscopic model is presented that accounts for these findings.

J. C. Woicik; C. E. Bouldin; M. I. Bell; J. O. Cross; D. J. Tweet; B. D. Swanson; T. M. Zhang; L. B. Sorensen; C. A. King; J. L. Hoyt; P. Pianetta; J. F. Gibbons

1991-01-15T23:59:59.000Z

305

Low-Cost Direct Bonded Aluminum (DBA) Substrates  

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

Managed by UT-Battelle for the Department of Energy Low-Cost Direct Bonded Aluminum (DBA) Substrates H. -T. Lin, A. A. Wereszczak, and S. Waters Oak Ridge National Laboratory This...

306

Low-Cost Direct Bonded Aluminum (DBA) Substrates  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Low-Cost Direct Bonded Aluminum (DBA) Substrates H. -T. Lin, A. A. Wereszczak, M. L. Santella, and G. Muralidharan Oak Ridge National Laboratory (ORNL) This presentation does not...

307

Application of Social Impact Bonds in Built Infrastructure Sustainability Projects  

E-Print Network (OSTI)

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...

White, Robert Joseph

2014-05-01T23:59:59.000Z

308

IRS Announces New Tribal Economic Development Bond Allocation Guidance |  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

IRS Announces New Tribal Economic Development Bond Allocation IRS Announces New Tribal Economic Development Bond Allocation Guidance IRS Announces New Tribal Economic Development Bond Allocation Guidance July 18, 2012 - 3:46pm Addthis To promote economic growth in tribal communities, Treasury and the Internal Revenue Service (IRS) published new guidance on July 18, 2012, allocating Tribal Economic Development Bonds (TEDBs). The TEDB program was established under the American Reinvestment and Recovery Act, and provides Tribes with the authority to issue tax-exempt debt for a wider range of activities to spur job creation and promote economic growth in Indian country. Providing Tribes with the ability to issue tax-exempt debt for a broader scope of activities similar to that available to states and local governments lowers

309

MODE II FRACTURE BEHAVIOR OF BONDED VISCOELASTIC THERMAL COMPRESSED WOOD  

E-Print Network (OSTI)

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

Nairn, John A.

310

Radiological transportation risk assessment of the shipment of sodium-bonded fuel from the Fast Flux Test Facility to the Idaho National Engineering Laboratory  

SciTech Connect

This document was written in support of Environmental Assessment: Shutdown of the Fast Flux Test Facility (FFTF), Hanford Site, Richland, Washington. It analyzes the potential radiological risks associated with the transportation of sodium-bonded metal alloy and mixed carbide fuel from the FFTF on the Hanford Site in Washington State to the Idaho Engineering Laboratory in Idaho in the T-3 Cask. RADTRAN 4 is used for the analysis which addresses potential risk from normal transportation and hypothetical accident scenarios.

Green, J.R.

1995-01-31T23:59:59.000Z

311

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

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.

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)

2013-09-15T23:59:59.000Z

312

Bonded Bracket Assmebly for Frameless Solar Panels  

SciTech Connect

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.

Murray, Todd

2013-01-30T23:59:59.000Z

313

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

SciTech Connect

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.

McCormick, Frederick Bossert; Frederick, Scott K.

2008-01-01T23:59:59.000Z

314

New Bond Helps Toledo, Ohio, Expand Financing Pool  

Energy.gov (U.S. Department of Energy (DOE))

The BetterBuildings Northwest Ohio (BBNWO) Program, in conjunction with the Toledo Ohio Advanced Energy Improvement Corporation—a pioneering Energy Special Improvement District in Ohio that allows energy efficiency improvements to be funded and paid for through property special assessments—has received a second bond from the Toledo-Lucas County Port Authority. This bond is in the amount of $6,435,000.

315

Bond Distortions in Armchair Type Single Wall Carbon Nanotubes  

E-Print Network (OSTI)

The energy band gap structure and stability of (3,3) and (10,10) nanotubes have been comparatively investigated in the frameworks of the traditional form of the Su-Schrieffer-Heeger (SSH) model and a toy model including the contributions of bonds of different types to the SSH Hamiltonian differently. Both models give the same energy band gap structure but bond length distortions in different characters for the nanotubes.

N. Sunel; E. Rizaoglu; K. Harigaya; O. Ozsoy

2005-03-03T23:59:59.000Z

316

BN Bonded BN fiber article and method of manufacture  

DOE Patents (OSTI)

A boron nitride bonded boron nitride fiber article and the method for its manufacture which comprises forming a shaped article with a composition comprising a bonding compound selected from boron oxide and boric acid and a structural fiber selected from the group consisting of boron oxide, boron nitride and partially nitrided boron oxide fibers, heating the composition in an anhydrous gas to a temperature above the melting point of the compound and nitriding the resulting article in ammonia gas.

Hamilton, Robert S. (Youngstown, NY)

1981-08-18T23:59:59.000Z

317

Studies of metal/carbon surface chemistry. June 1, 1985-August 31, 1985  

SciTech Connect

The purpose of this research is to identify stable surface species formed from molecular adsorption and reaction on metal/carbon surfaces. This research has practical application in improving the fundamental understanding of catalytic coal gasification. Well-defined model catalysts for carbon gasification will be studied by vapor depositing alkali and transition metal atoms on carbon surfaces. Vibrational spectroscopy using HREELS and photoelectron spectroscopy of these surfaces will be used to develop an atomic-level understanding of the chemical bonding, structure, and reactivity of the metal carbon surface and of the adsorbed molecular species. 1 fig.

Koel, B.E.

1985-09-30T23:59:59.000Z

318

Photoactivated metal removal  

SciTech Connect

The authors propose the use of photochromic dyes as light activated switches to bind and release metal ions. This process, which can be driven by solar energy, can be used in environmental and industrial processes to remove metals from organic and aqueous solutions. Because the metals can be released from the ligands when irradiated with visible light, regeneration of the ligands and concentration of the metals may be easier than with conventional ion exchange resins. Thus, the process has the potential to be less expensive than currently used metal extraction techniques. In this paper, the authors report on their studies of the metal binding of spirogyran dyes and the hydrolytic stability of these dyes. They have prepared a number of spirogyrans and measured their binding constants for calcium and magnesium. They discuss the relationship of the structure of the dyes to their binding strengths. These studies are necessary towards determining the viability of this technique.

Nimlos, M.R.; Filley, J.; Ibrahim, M.A.; Watt, A.S.; Blake, D.M.

1999-07-01T23:59:59.000Z

319

Metal atomization spray nozzle  

DOE Patents (OSTI)

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.

Huxford, T.J.

1993-11-16T23:59:59.000Z

320

Time-Resolved Study of Bonding in Liquid Carbon  

NLE Websites -- All DOE Office Websites (Extended Search)

Time-Resolved Study of Bonding 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 its elemental form as a solid, ranging from the soft "lead" in pencils to the precious gemstone in diamond rings. While considerable attention has been focused on solid forms of carbon, the properties of liquid carbon are much more difficult to measure accurately. The very strong bonding between carbon atoms that gives diamonds their hardness also makes carbon very difficult to melt, requiring temperatures above 5000 K at pressures above 100 bar. Maintaining such conditions in a laboratory is a challenge that has hampered efforts to fully understand the chemical bonding properties of this biologically, industrially, and environmentally important element. At the ALS, researchers have found a way to rapidly heat a carbon sample and contain the resulting liquid long enough to perform picosecond time-resolved x-ray absorption spectroscopy. The technique provides a way to measure the bonding properties of liquid carbon at near-solid densities that can then be compared with results from molecular dynamics simulations.

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


321

Transient liquid phase bonding of structural intermetallic compounds  

Science Journals Connector (OSTI)

The intermetallic compound NiAl is a candidate material for high-temperature structural applications, for example in the hot-zone of aero gas turbine engines. However, if this material is to find significant structural applications, methodologies for primary fabrication of complex components and post-service repair will be required. In particular, joining technologies suitable for bonding NiAl to nickel-base alloys are required. This paper examines transient liquid phase (TLP) bonding as a method of joining NiAl to nickel-base alloys. The focus of the paper is microstructural development at the bond-line and in the adjacent (nickel-base and NiAl) substrates. Two different interlayer materials are considered in this paper, namely: Ni – 4.5 wt.% Si – 3.2 wt.%B (designated by the American Welding Society as 'BNi-3') and commercially pure copper. Bonds between binary, nominally-stoichiometric NiAl and both commercially pure nickel and Martin Marietta 247 are examined using edge-on transmission electron microscopy. The paper considers the character of the isothermal solidification process, the formation of second-phases at the bond-line and in the adjacent substrates and the extent to which NiAl-Ni-base alloy TLP bonds obey the assumptions implicit in standard models of the TLP process.

W.F. Gale; Y. Guan; S.V. Orel

1998-01-01T23:59:59.000Z

322

Fabricated Metals (2010 MECS)  

Energy.gov (U.S. Department of Energy (DOE))

Manufacturing Energy and Carbon Footprint for Fabricated Metals Sector (NAICS 332) Energy use data source: 2010 EIA MECS (with adjustments) Footprint Last Revised: February 2014

323

EMSL - trace metals  

NLE Websites -- All DOE Office Websites (Extended Search)

trace-metals en Microbial Reductive Transformation of Phyllosilicate Fe(III) and U(VI) in Fluvial Subsurface Sediments. http:www.emsl.pnl.govemslwebpublications...

324

ROLE OF C AND P SITES ON THE CHEMICAL ACTIVITY OF METAL CARBIDE AND PHOSPHIDES: FROM CLUSTERS TO SINGLE-CRYSTAL SURFACES  

SciTech Connect

Transition metal carbides and phosphides have shown tremendous potential as highly active catalysts. At a microscopic level, it is not well understood how these new catalysts work. Their high activity is usually attributed to ligand or/and ensemble effects. Here, we review recent studies that examine the chemical activity of metal carbide and phosphides as a function of size, from clusters to extended surfaces, and metal/carbon or metal/phosphorous ratio. These studies reveal that the C and P sites in these compounds cannot be considered as simple spectators. They moderate the reactivity of the metal centers and provide bonding sites for adsorbates.

RODRIGUEZ,J.A.; VINES, F.; LIU, P.; ILLAS, F.

2007-07-01T23:59:59.000Z

325

Electrodepositing Pt by Modulated Pulse Current on a Nafion-Bonded Carbon Substrate as an Electrode for PEMFC  

Science Journals Connector (OSTI)

These include the improvement in preparation process of catalyst ink,2-4 extending the wet area of the catalytic region by adding a semihydrophobic carbon powder layer between the Teflon-coated carbon paper and the catalyst layer,5 and sputter deposition of the metal catalyst directly onto the surface of Nafion-bonded carbon paper,6 as well as electrodepositing noble-metal catalysts in desired locations. ... In short, there would be the possibility of application of the modulated pulse current electrodeposition into mass production of Pt-catalyzed electrodes if a low Pt loading in the PEMFC is required. ... use of catalyst gradients within the active layer of a PEMFC cathode allows studying the influence of the location effect of Pt nanoparticles on cathode performances. ...

Z. D. Wei; S. G. Chen; Y. Liu; C. X. Sun; Z. G. Shao; P. K. Shen

2007-10-02T23:59:59.000Z

326

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

SciTech Connect

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.

Wang Qi; Williams, Graeme; Aziz, Hany [Department of Electrical and Computer Engineering, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1 (Canada); Tsui Ting [Department of Chemical Engineering, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1 (Canada)

2012-09-15T23:59:59.000Z

327

Silicon metal-semiconductor-metal photodetector  

DOE Patents (OSTI)

Silicon MSM photodiodes sensitive to radiation in the visible to near infrared spectral range are produced by altering the absorption characteristics of crystalline Si by ion implantation. The implantation produces a defected region below the surface of the silicon with the highest concentration of defects at its base which acts to reduce the contribution of charge carriers formed below the defected layer. The charge carriers generated by the radiation in the upper regions of the defected layer are very quickly collected between biased Schottky barrier electrodes which form a metal-semiconductor-metal structure for the photodiode.

Brueck, Steven R. J. (Albuquerque, NM); Myers, David R. (Albuquerque, NM); Sharma, Ashwani K. (Albuquerque, NM)

1997-01-01T23:59:59.000Z

328

Silicon metal-semiconductor-metal photodetector  

DOE Patents (OSTI)

Silicon MSM photodiodes sensitive to radiation in the visible to near infrared spectral range are produced by altering the absorption characteristics of crystalline Si by ion implantation. The implantation produces a defected region below the surface of the silicon with the highest concentration of defects at its base which acts to reduce the contribution of charge carriers formed below the defected layer. The charge carriers generated by the radiation in the upper regions of the defected layer are very quickly collected between biased Schottky barrier electrodes which form a metal-semiconductor-metal structure for the photodiode.

Brueck, Steven R. J. (Albuquerque, NM); Myers, David R. (Albuquerque, NM); Sharma, Ashwani K. (Albuquerque, NM)

1995-01-01T23:59:59.000Z

329

Symmetry reduction of metal phthalocyanines on metals  

Science Journals Connector (OSTI)

The temperature-dependent adsorption behavior of fourfold symmetric metal phthalocyanines (MPcs) on metals with commensurate and incommensurate symmetries was investigated by scanning tunneling microscopy. On the fourfold symmetric Cu(100) surface, planar and fourfold molecular structures in two equivalent orientations were found for MPcs when prepared at room temperature. In addition, two metastable orientations were identified when prepared at low temperature, which can be depopulated upon annealing. MPcs adsorbed on the sixfold symmetric Cu(111) surface showed a disturbed molecular appearance. The symmetry of molecular structures changed from fourfold to twofold, which is discussed in terms of molecule-substrate interaction.

Shih-Hsin Chang; Stefan Kuck; Jens Brede; Leonid Lichtenstein; Germar Hoffmann; Roland Wiesendanger

2008-12-29T23:59:59.000Z

330

PHYTOEXTRACTION OF HEAVY METALS  

E-Print Network (OSTI)

) Type of phytoremediation Cost effective form of environmental remediation (Glass 1999) Chelating Agents: desorb heavy metals from soil matrix and form water-soluble metal complexes (Shen et al -using hyperaccumulator plant biomass to produce a bio-ore for commercial use -Li et al. look at using Ni

Blouin-Demers, Gabriel

331

Metallization of fluid hydrogen  

Science Journals Connector (OSTI)

...P. Tunstall Metallization of fluid hydrogen W. J. Nellis 1 A. A. Louis 2 N...The electrical resistivity of liquid hydrogen has been measured at the high dynamic...which structural changes are paramount. hydrogen|metallization of hydrogen|liquid...

1998-01-01T23:59:59.000Z

332

Electroreflectance in Metals  

Science Journals Connector (OSTI)

Calculations have been made which suggest that the prominent maximum in the electroreflectance spectra of metals observed by Feinleib is not due to modulation of the optical constants of the electrolyte, but to modulation of the optical constants of the metal.

Arnold Prostak and Wilford N. Hansen

1967-08-15T23:59:59.000Z

333

Production of magnesium metal  

SciTech Connect

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.

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

2010-02-23T23:59:59.000Z

334

PROPOSED MODIFICATION TO THE ACI 318-02 CODE EQUATION ON BOND STRENGTH FOR MMFX STEEL  

E-Print Network (OSTI)

ST-263-1 PROPOSED MODIFICATION TO THE ACI 318-02 CODE EQUATION ON BOND STRENGTH FOR MMFX STEEL R the bond characteristics of Micro-composite Multi-structural Formable reinforcing steel rebars of the current equation of the ACI 318-02 Code on bond to predict the bond capacity of the MMFX steel rebars

335

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

E-Print Network (OSTI)

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

Baker, David

336

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

E-Print Network (OSTI)

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

Fayer, Michael D.

337

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

E-Print Network (OSTI)

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

Senes, Alessandro

338

Metal-Nonmetal Transition in Metal-Ammonia Solutions  

Science Journals Connector (OSTI)

A review is given of the properties of metal-ammonia solutions together with a summary of the evidence for the existence of a metal-nonmetal transition.

J. C. THOMPSON

1968-10-01T23:59:59.000Z

339

Time-Resolved Study of Bonding in Liquid Carbon  

NLE Websites -- All DOE Office Websites (Extended Search)

Time-Resolved Study of Bonding in Liquid Carbon Print 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 precious gemstone in diamond rings. While considerable attention has been focused on solid forms of carbon, the properties of liquid carbon are much more difficult to measure accurately. The very strong bonding between carbon atoms that gives diamonds their hardness also makes carbon very difficult to melt, requiring temperatures above 5000 K at pressures above 100 bar. Maintaining such conditions in a laboratory is a challenge that has hampered efforts to fully understand the chemical bonding properties of this biologically, industrially, and environmentally important element. At the ALS, researchers have found a way to rapidly heat a carbon sample and contain the resulting liquid long enough to perform picosecond time-resolved x-ray absorption spectroscopy. The technique provides a way to measure the bonding properties of liquid carbon at near-solid densities that can then be compared with results from molecular dynamics simulations.

340

Time-Resolved Study of Bonding in Liquid Carbon  

NLE Websites -- All DOE Office Websites (Extended Search)

Time-Resolved Study of Bonding in Liquid Carbon Print 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 precious gemstone in diamond rings. While considerable attention has been focused on solid forms of carbon, the properties of liquid carbon are much more difficult to measure accurately. The very strong bonding between carbon atoms that gives diamonds their hardness also makes carbon very difficult to melt, requiring temperatures above 5000 K at pressures above 100 bar. Maintaining such conditions in a laboratory is a challenge that has hampered efforts to fully understand the chemical bonding properties of this biologically, industrially, and environmentally important element. At the ALS, researchers have found a way to rapidly heat a carbon sample and contain the resulting liquid long enough to perform picosecond time-resolved x-ray absorption spectroscopy. The technique provides a way to measure the bonding properties of liquid carbon at near-solid densities that can then be compared with results from molecular dynamics simulations.

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


341

Time-Resolved Study of Bonding in Liquid Carbon  

NLE Websites -- All DOE Office Websites (Extended Search)

Time-Resolved Study of Bonding in Liquid Carbon Print 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 precious gemstone in diamond rings. While considerable attention has been focused on solid forms of carbon, the properties of liquid carbon are much more difficult to measure accurately. The very strong bonding between carbon atoms that gives diamonds their hardness also makes carbon very difficult to melt, requiring temperatures above 5000 K at pressures above 100 bar. Maintaining such conditions in a laboratory is a challenge that has hampered efforts to fully understand the chemical bonding properties of this biologically, industrially, and environmentally important element. At the ALS, researchers have found a way to rapidly heat a carbon sample and contain the resulting liquid long enough to perform picosecond time-resolved x-ray absorption spectroscopy. The technique provides a way to measure the bonding properties of liquid carbon at near-solid densities that can then be compared with results from molecular dynamics simulations.

342

From an insulating to a superfluid pair-bond liquid  

Science Journals Connector (OSTI)

We study an exchange coupled system of itinerant electrons and localized fermion pairs resulting in a resonant pairing formation. This system inherently contains resonating fermion pairs on bonds that lead to a superconducting phase, provided that long-range phase coherence between their constituents can be established. The prerequisite is that the resonating fermion pairs can become itinerant. This is rendered possible through the emergence of two kinds of bond fermions: individual and composite fermions made of one individual electron attached to a bound pair on a bond. If the strength of the exchange coupling exceeds a certain value, then the superconducting ground state undergoes a quantum phase transition into an insulating pair-bond liquid state. The gap of the superfluid phase thereby goes over continuously into a charge gap of the insulator. The changeover from the superconducting to the insulating phase is accompanied by a corresponding qualitative modification of the dispersion of the two kinds of fermionic excitations. Using a bond operator formalism, we derive the phase diagram of such a scenario together with the elementary excitations characterizing the various phases as a function of the exchange coupling and the temperature.

M. Cuoco and J. Ranninger

2006-09-20T23:59:59.000Z

343

New Insights into Hydrogen Bonding and Stacking Interactions in Cellulose  

SciTech Connect

In this quantum chemical study, we explore hydrogen bonding (H-bonding) and stacking interactions in different crystalline cellulose allomorphs, namely cellulose I and cellulose IIII. We consider a model system representing a cellulose crystalline core, made from six cellobiose units arranged in three layers with two chains per layer. We calculate the contributions of intrasheet and intersheet interactions to the structure and stability in both cellulose I and cellulose IIII crystalline cores. Reference structures for this study were generated from molecular dynamics simulations of water-solvated cellulose I and IIII fibrils. A systematic analysis of various conformations describing different mutual orientations of cellobiose units is performed using the hybrid density functional theory (DFT) with the M06-2X with 6-31+G (d, p) basis sets. We dissect the nature of the forces that stabilize the cellulose I and cellulose IIII crystalline cores and quantify the relative strength of H-bonding and stacking interactions. Our calculations demonstrate that individual H-bonding interactions are stronger in cellulose I than in cellulose IIII. We also observe a significant contribution from cooperative stacking interactions to the stabilization of cellulose I . In addition, the theory of atoms-in-molecules (AIM) has been employed to characterize and quantify these intermolecular interactions. AIM analyses highlight the role of nonconventional CH O H-bonding in the cellulose assemblies. Finally, we calculate molecular electrostatic potential maps for the cellulose allomorphs that capture the differences in chemical reactivity of the systems considered in our study.

Langan, Paul [ORNL

2011-01-01T23:59:59.000Z

344

Analytic bond-order potential for the gallium arsenide system  

Science Journals Connector (OSTI)

An analytic, bond-order potential (BOP) is proposed and parametrized for the gallium arsenide system. The potential addresses primary (?) and secondary (?) bonding and the valence-dependent character of heteroatomic bonding, and it can be combined with an electron counting potential to address the distribution of electrons on the GaAs surface. The potential was derived from a tight-binding description of covalent bonding by retaining the first two levels of an expanded Green’s function for the ? and ? bond-order terms. Predictions using the potential were compared with independent estimates for the structures and binding energy of small clusters (dimers, trimers, and tetramers) and for various bulk lattices with coordinations varying from 4 to 12. The structure and energies of simple point defects and melting transitions were also investigated. The relative stabilities of the (001) surface reconstructions of GaAs were well predicted, especially under high-arsenic-overpressure conditions. The structural and binding energy trends of this GaAs BOP generally match experimental observations and ab initio calculations.

D. A. Murdick; X. W. Zhou; H. N. G. Wadley; D. Nguyen-Manh; R. Drautz; D. G. Pettifor

2006-01-20T23:59:59.000Z

345

Business Incentive Loans and Bonds (Georgia) | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

You are here You are here Home » Business Incentive Loans and Bonds (Georgia) Business Incentive Loans and Bonds (Georgia) < Back Eligibility Agricultural Commercial Construction Developer Fuel Distributor General Public/Consumer Industrial Installer/Contractor Investor-Owned Utility Local Government Municipal/Public Utility Retail Supplier Rural Electric Cooperative Systems Integrator Transportation Utility Savings Category Alternative Fuel Vehicles Hydrogen & Fuel Cells Buying & Making Electricity Water Home Weatherization Solar Wind Maximum Rebate Unlimited but generally should not exceed 20% of the asset needs of the company's Gerogia location. Program Info State Georgia Program Type Bond Program Loan Program Provider Georgia Department of Community Affairs The Strategic Industries Loan Fund (SILF) is a program offered by the

346

Fitzgerald Wtr Lgt & Bond Comm | Open Energy Information  

Open Energy Info (EERE)

Fitzgerald Wtr Lgt & Bond Comm Fitzgerald Wtr Lgt & Bond Comm Jump to: navigation, search Name Fitzgerald Wtr Lgt & Bond Comm Place Georgia Utility Id 6380 Utility Location Yes Ownership M NERC Location SERC NERC RFC Yes Activity Distribution Yes Activity Bundled Services Yes References EIA Form EIA-861 Final Data File for 2010 - File1_a[1] LinkedIn Connections CrunchBase Profile No CrunchBase profile. Create one now! This article is a stub. You can help OpenEI by expanding it. Utility Rate Schedules Grid-background.png Commercial Commercial Industrial Industrial Residential City Residential Residential Rural Residential Average Rates Residential: $0.1000/kWh Commercial: $0.1140/kWh Industrial: $0.0817/kWh References ↑ "EIA Form EIA-861 Final Data File for 2010 - File1_a"

347

Students' Interdisciplinary Reasoning about "High-Energy Bonds" and ATP  

E-Print Network (OSTI)

Students' sometimes contradictory ideas about ATP (adenosine triphosphate) and the nature of chemical bonds have been studied in the biology and chemistry education literatures, but these topics are rarely part of the introductory physics curriculum. We present qualitative data from an introductory physics course for undergraduate biology majors that seeks to build greater interdisciplinary coherence and therefore includes these topics. In these data, students grapple with the apparent contradiction between the energy released when the phosphate bond in ATP is broken and the idea that an energy input is required to break a bond. We see that students' perceptions of how each scientific discipline bounds the system of interest can influence how they justify their reasoning about a topic that crosses disciplines. This has consequences for a vision of interdisciplinary education that respects disciplinary perspectives while bringing them into interaction in ways that demonstrate consistency amongst the perspectiv...

Dreyfus, Benjamin W; Sawtelle, Vashti; Svoboda, Julia; Turpen, Chandra; Redish, Edward F

2012-01-01T23:59:59.000Z

348

Reduction of Thermal Conductivity in Wafer-Bonded Silicon  

SciTech Connect

Blocks of silicon up to 3-mm thick have been formed by directly bonding stacks of thin wafer chips. These stacks showed significant reductions in the thermal conductivity in the bonding direction. In each sample, the wafer chips were obtained by polishing a commercial wafer to as thin as 36 {micro}m, followed by dicing. Stacks whose starting wafers were patterned with shallow dots showed greater reductions in thermal conductivity. Diluted-HF treatment of wafer chips prior to bonding led to the largest reduction of the effective thermal conductivity, by approximately a factor of 50. Theoretical modeling based on restricted conduction through the contacting dots and some conduction across the planar nanometer air gaps yielded fair agreement for samples fabricated without the HF treatment.

ZL Liau; LR Danielson; PM Fourspring; L Hu; G Chen; GW Turner

2006-11-27T23:59:59.000Z

349

Bond Amendment, Security Clearances - January 1, 2008 | Department of  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Bond Amendment, Security Clearances - January 1, 2008 Bond Amendment, Security Clearances - January 1, 2008 Bond Amendment, Security Clearances - January 1, 2008 January 1, 2008 In General.-Title III of the Intelligence Reform and Terrorism Prevention Act of 2004 (50 U.S.C. 435b) is amended by adding at the end the following new section: "SEC. 3002. SECURITY CLEARANCES; LIMITATIONS SEC. 1072. SECURITY CLEARANCES; LIMITATIONS. (a) In General.-Title III of the Intelligence Reform and Terrorism Prevention Act of 2004 (50 U.S.C. 435b) is amended by adding at the end the following new section: "SEC. 3002. SECURITY CLEARANCES; LIMITATIONS. "(a) Definitions.-In this section: "(1) Controlled substance.-The term `controlled substance' has the meaning given that term in section 102 of the Controlled Substances Act (21 U.S.C.

350

Water molecules insert into N-HCl-M hydrogen bonds while M-ClX-C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates  

Science Journals Connector (OSTI)

Crystals of the dihydrates of three halopyridinium hexachloroplatinate salts form networks that are propagated via N-HO and O-HCl-Pt hydrogen bonds and Pt-ClX-C halogen bonds. The water molecules can be considered to have been inserted into N-HCl-Pt hydrogen bonds anticipated in the anyhdrous form of such salts.

Zordan, F.

2004-09-15T23:59:59.000Z

351

Hydrogen Bonds in Crystals. X. The Isotope Effect and Thermal Expansion of Non-Co-Operative Hydrogen Bonds in Furoic Acid  

Science Journals Connector (OSTI)

24 April 1956 research-article Hydrogen Bonds in Crystals. X. The Isotope Effect...Thermal Expansion of Non-Co-Operative Hydrogen Bonds in Furoic Acid J. McC. Pollock...Ubbelohde Ida Woodward Thermal effects in the hydrogen bonds in crystalline furoic acid have...

1956-01-01T23:59:59.000Z

352

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)

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

Goddard III, William A.

353

Liquid metal electric pump  

DOE Patents (OSTI)

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.

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

1992-01-14T23:59:59.000Z

354

High- and low-temperature bonding techniques for microstructures  

SciTech Connect

The ability to bond together two or more silicon wafers greatly expands the variety and complexity of silicon microstructures that can be designed and fabricated. At LLNL, microstructures have been used for many years as hardware in scientific experiments. The activity has recently been expanded into other areas to include microinstruments for biomedical applications and for chemical analysis. Both high temperature (1100{degrees}C) bonding techniques have been used, depending on the application. This paper discusses these applications with emphasis on the most extensive which is the fabrication of microchannel coolers for diode arrays.

Ciarlo, D.R.

1993-06-22T23:59:59.000Z

355

CHEMISTRY OF SO{sub 2} ON MODEL METAL AND OXIDE CATALYSTS: PHOTOEMISSION AND XANES STUDIES  

SciTech Connect

High-resolution synchrotron based photoemission and x-ray absorption spectroscopy have been used to study the interaction of SO{sub 2} with a series of metals and oxides. The chemistry of SO{sub 2} on metal surfaces is rich. At low coverages, the molecule fully decomposes into atomic S and O. At large coverages, the formation of SO{sub 3} and SO{sub 4} takes place. The following sequence was found for the reactivity of the metals towards SO{sub 2}: Pt {approx} Rh < Ru < Mo << Zn, Sn, Cs. Alloying can be useful for reducing the chemical affinity of a metal for SO{sub 2} and controlling S poisoning. Pd atoms bonded to Rh and Pt atoms bonded to Sn interact weakly with SO{sub 2}. In general, SO{sub 2} mainly reacts with the O centers of metal oxides. SO{sub 4} is formed on CeO{sub 2} and SO{sub 3} on ZnO. On these systems there is no decomposition of SO{sub 2}. Dissociation of the molecule is observed after introducing a large amount of Ce{sup 3+} sites in ceria, or after depositing Cu or alkali metals on the oxide surfaces. These promote the catalytic activity of the oxides during the destruction of SO{sub 2}.

RODRIGUEZ,J.A.; JIRSAK,T.; CHATURVEDI,S.; HRBEK,J.; FREITAG,A.; LARESE,J.Z.

2000-07-09T23:59:59.000Z

356

Portraits of some representatives of metal boride carbide and boride silicide compounds  

SciTech Connect

Different ternary alkaline-earth and rare-earth metal boron carbide and silicide compounds are examined using the solid-state language of Zintl-Klemm concept, band structures, and density of states, in order to show that the topology of the non-metal sub-lattice is highly dependent on the electron count. It is also shown that the chemistry of rare-earth metal-boron-silicon does not parallel that of rare-earth metal-boron-carbon. B-C bonds are easily formed in the latter, leading to a large variety of different structural arrangements, whereas Si-B bonds are hardly observed in the former, except in insertion compounds. - Graphical abstract: Some ternary alkaline-earth and rare-earth metal boron carbide and silicide compounds are examined using the solid-state language of Zintl-Klemm concept, band structures, and density of states, in order to show that the topology of the non-metal sub-lattice is highly dependent on the electron count.

Ben Yahia, Mouna [Laboratoire de Chimie du Solide et Inorganique Moleculaire, UMR 6511 CNRS-Universite de Rennes 1-ENSC Rennes, Institut de Chimie de Rennes, F-35042 Rennes (France); Roger, Jerome [Laboratoire de Chimie du Solide et Inorganique Moleculaire, UMR 6511 CNRS-Universite de Rennes 1-ENSC Rennes, Institut de Chimie de Rennes, F-35042 Rennes (France); Rocquefelte, Xavier [Laboratoire de Chimie du Solide et Inorganique Moleculaire, UMR 6511 CNRS-Universite de Rennes 1-ENSC Rennes, Institut de Chimie de Rennes, F-35042 Rennes (France); Gautier, Regis [Laboratoire de Chimie du Solide et Inorganique Moleculaire, UMR 6511 CNRS-Universite de Rennes 1-ENSC Rennes, Institut de Chimie de Rennes, F-35042 Rennes (France); Bauer, Joseph [Laboratoire de Chimie du Solide et Inorganique Moleculaire, UMR 6511 CNRS-Universite de Rennes 1-ENSC Rennes, Institut de Chimie de Rennes, F-35042 Rennes (France); Guerin, Roland [Laboratoire de Chimie du Solide et Inorganique Moleculaire, UMR 6511 CNRS-Universite de Rennes 1-ENSC Rennes, Institut de Chimie de Rennes, F-35042 Rennes (France); Saillard, Jean-Yves [Laboratoire de Chimie du Solide et Inorganique Moleculaire, UMR 6511 CNRS-Universite de Rennes 1-ENSC Rennes, Institut de Chimie de Rennes, F-35042 Rennes (France); Halet, Jean-Francois [Laboratoire de Chimie du Solide et Inorganique Moleculaire, UMR 6511 CNRS-Universite de Rennes 1-ENSC Rennes, Institut de Chimie de Rennes, F-35042 Rennes (France)]. E-mail: halet@univ-rennes1.fr

2006-09-15T23:59:59.000Z

357

Divalent metal nanoparticles  

E-Print Network (OSTI)

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 ...

DeVries, Gretchen Anne

2008-01-01T23:59:59.000Z

358

Nitrided Metallic Bipolar Plates  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

to meet 5000 h automotive durability goal at cost < 5kW Year 1 Goals: Single-cell fuel cell test performance for 25 cm 2 stamped and nitrided metallic bipolar plates...

359

Metal stocks and sustainability  

Science Journals Connector (OSTI)

...dissipated through corrosion and wear, and some enters waste repositories...landfills. Dissipation from wear and corrosion is generally small...dispersion of metals from wear and corrosion is an important...transportation (railroad, marine, aircraft, and aerospace equipment...

R. B. Gordon; M. Bertram; T. E. Graedel

2006-01-01T23:59:59.000Z

360

Oligocyclopentadienyl transition metal complexes  

SciTech Connect

Synthesis, characterization, and reactivity studies of oligocyclopentadienyl transition metal complexes, namely those of fulvalene, tercyclopentadienyl, quatercyclopentadienyl, and pentacyclopentadienyl(cyclopentadienyl) are the subject of this account. Thermal-, photo-, and redox chemistries of homo- and heteropolynuclear complexes are described.

de Azevedo, Cristina G.; Vollhardt, K. Peter C.

2002-01-18T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


361

Excitons in Metals  

Science Journals Connector (OSTI)

It is shown that exciton states exist in metals, occurring near the interband threshold in optical absorption and substantially altering the shape and strength of the absorption edge. Their relation to the corresponding donor states is discussed.

G. D. Mahan

1967-03-20T23:59:59.000Z

362

First-principles study of the stability and electronic structure of metal hydrides H. Smithson,1,2  

E-Print Network (OSTI)

energy is the chemical bonding between the hydrogen and metal in which it is inserted. This is the only number s : 61.50.Ah, 61.66.Dk I. INTRODUCTION The absorption of hydrogen in materials is of wide to as hydro- gen embrittlement. The mechanism of such embrittlement is believed to be different depending

Ceder, Gerbrand

363

Lithium metal reduction of plutonium oxide to produce plutonium metal  

DOE Patents (OSTI)

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.

Coops, Melvin S. (Livermore, CA)

1992-01-01T23:59:59.000Z

364

Metallic glass composition  

DOE Patents (OSTI)

A metallic glass alloy that is either iron-based or nickel-based or based on a mixture of iron and nickel, containing lesser amounts of elements selected from the group boron, silicon carbon and phosphorous to which is added an amount of a ductility enhancing element selected from the group cerium, lanthanum, praseodymium and neodymium sufficient to increase ductility of the metallic glass upon annealing.

Kroeger, Donald M. (Knoxville, TN); Koch, Carl C. (Raleigh, NC)

1986-01-01T23:59:59.000Z

365

Molten metal reactors  

DOE Patents (OSTI)

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.

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

2013-11-05T23:59:59.000Z

366

Methods of making metallic glass foil laminate composites  

DOE Patents (OSTI)

A process for the fabrication of a rapidly solidified foil laminate composite. An amorphous metallic glass foil is flux treated and coated with solder. Before solidification of the solder the foil is collected on a take-up spool which forms the composite into a solid annular configuration. The resulting composite exhibits high strength, resiliency and favorable magnetic and electrical properties associated with amorphous materials. The composite also exhibits bonding strength between the foil layers which significantly exceeds the bulk strength of the solder alone. 6 figs.

Vianco, P.T.; Fisher, R.W.; Hosking, F.M.; Zanner, F.J.

1996-08-20T23:59:59.000Z

367

Functionalized Silicone Nanospheres: Synthesis, Transition Metal...  

NLE Websites -- All DOE Office Websites (Extended Search)

Functionalized Silicone Nanospheres: Synthesis, Transition Metal Immobilization, and Catalytic Applications. Functionalized Silicone Nanospheres: Synthesis, Transition Metal...

368

Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids with small bond angles: Effects of steric hindrance and ring formation  

E-Print Network (OSTI)

In this paper we develop a thermodynamic perturbation theory for two site associating fluids which exhibit bond cooperativity. We include both steric hindrance and ring formation such that the equation of state is bond angle dependent. Here the bond angle is the angle separating the centers of the two association sites. As a test, new Monte Carlo simulations are performed, and the theory is found to accurately predict the internal energy as well as the distribution of associated clusters as a function of bond angle and bond cooperativity.

B. D. Marshall; Amin Haghmoradi; W. G. Chapman

2014-04-03T23:59:59.000Z

369

Using Qualified Energy Conservation Bonds (QECBs) to Fund a Residential  

NLE Websites -- All DOE Office Websites (Extended Search)

Using Qualified Energy Conservation Bonds (QECBs) to Fund a Residential Using Qualified Energy Conservation Bonds (QECBs) to Fund a Residential Energy Efficiency Loan Program: Case Study on Saint Louis County, MO Title Using Qualified Energy Conservation Bonds (QECBs) to Fund a Residential Energy Efficiency Loan Program: Case Study on Saint Louis County, MO Publication Type Policy Brief Authors Zimring, Mark Secondary Title Clean Energy Program Policy Brief Publisher LBNL Place Published Berkeley Year of Publication 2011 Pagination 7 Date Published 06/2011 Abstract Qualified Energy Conservation Bonds (QECBs) are federally-subsidized debt instruments that enable state, tribal, and local government issuers to borrow money to fund a range of qualified energy conservation projects. QECBs offer issuers very attractive borrowing rates and long terms, and can fund low-interest energy efficiency loans for home and commercial property owners. Saint Louis County, MO recently issued over $10 million of QECBs to finance the Saint Louis County SAVES residential energy efficiency loan program. The county's experience negotiating QECB regulations and restrictions can inform future issuers.

370

Describing bond graph models of hydraulic components in Modelica  

Science Journals Connector (OSTI)

In this paper we discuss an object oriented description of bond graph models of hydraulic components by means of the unified modeling language Modelica. A library which is still under development is briefly described and models of some standard hydraulic components are given for illustration. In particular we address the modeling of hydraulic orifices.

W. Borutzky; B. Barnard; J.U. Thoma

2000-01-01T23:59:59.000Z

371

Type II halogen???halogen contacts are halogen bonds  

Science Journals Connector (OSTI)

Cl/Br/I alternative substitutions in a series of dihalophenols indicate that type I and type II halogen???halogen contacts have different chemical nature. Only the latter ones qualify as true halogen bonds, according to the recent IUPAC definition.

Metrangolo, P.

2013-12-31T23:59:59.000Z

372

Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments  

E-Print Network (OSTI)

Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments Chao Zhang contributions of each of the two hydrogen atoms to the vibrational modes 1 and 3 of water molecules the early works on the molecular structure of water, it has been accepted that a water molecule

Guidoni, Leonardo

373

Simulation of an Electrical Substation Using the Bond Graph Technique  

Science Journals Connector (OSTI)

Simulation and especially computer simulation, is a basic tool since it enables engineers to understand how systems work without actually needing to see them. They can learn how they work in different circumstances and optimize their design with considerably ... Keywords: simulation, electrical substations, elements, electricity, bond graph

Gregorio Romero; Jesus Felez; Joaquin Maroto; Jose Manuel Mera

2008-04-01T23:59:59.000Z

374

Hydrogen Bond Networks in Graphene Oxide Composite Paper: Structure and  

E-Print Network (OSTI)

a precur- sor for graphene, GO itself can be useful in flexible electronics,7 in battery electrodes,8Hydrogen Bond Networks in Graphene Oxide Composite Paper: Structure and Mechanical Properties Engineering, University of Texas, Austin, Texas 78712 I n recent years, grapheneOa single layer of carbon

375

Bonding and Electronic Properties of Ice at High Pressure  

E-Print Network (OSTI)

between the nearest oxygen atoms. All ice structures that we discussed so far are insulators. Militzer 1 Bonding and Electronic Properties of Ice at High Pressure B. Militzer Department of Earth of water ice at megabar pressure are characterized with ab initio computer simulations. The focus lies

Militzer, Burkhard

376

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

E-Print Network (OSTI)

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

Mellor-Crummey, John

377

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

378

Method of preparation of bonded polyimide fuel cell package  

DOE Patents (OSTI)

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.

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

2011-04-26T23:59:59.000Z

379

Bonded labour The Dalits of Nepal are a marginalised  

E-Print Network (OSTI)

Bonded labour The Dalits of Nepal are a marginalised group of people who have suffered systematic that, while illegal, is still widespread in remote rural areas of Nepal. To meet their basic needs in their neighbour- hood. Referred to in Nepal as Haliya/ Haruwa and Charuwa, they have to plough the landlords' land

Richner, Heinz

380

Water inertial reorientation: Hydrogen bond strength and the angular potential  

E-Print Network (OSTI)

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

Fayer, Michael D.

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


381

Quantum nuclear effects on surfaces and dispersion bonded systems  

E-Print Network (OSTI)

Quantum nuclear effects on surfaces and dispersion bonded systems Erlend Davidson A dissertation all system types. In particular long range van der Waals dispersion forces and quantum nuclear effects of the art methods to include van der Waals dispersion and quantum nuclear effects on a range of well defined

Guillas, Serge

382

Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids  

E-Print Network (OSTI)

We develop a resummed thermodynamic perturbation theory for bond cooperativity in associating fluids by extension of Wertheim's multi - density formalism. We specifically consider the case of an associating hard sphere with two association sites and both pairwise and triplet contributions to the energy. To test the theory we perform new monte carlo simulations. Theory and simulation are found to be in excellent agreement.

B. D. Marshall; W. G. Chapman

2013-09-18T23:59:59.000Z

383

Concept generation of dynamic systems using bond graphs  

E-Print Network (OSTI)

REPRESENTATIONS OF IMMITTANCES . . . Immittance synthesis in design Conventional immit tance synthesis techniques by Foster and Cauer Immittance synthesis with bond graphs . . . . . . . . . . . . . Example - Synthesis of two frequency absorber... . . . . . . . . . 35 . 35 . 38 . . . . . . 40 . . . . . . 49 TABLE OF CONTENTS (Continued) CHAPTER Page V PHYSICAL REPRESENTATIONS OF TRANSFER FUNCTIONS Transfer function synthesis in design . . . . . . . . . . . General procedure Conditions for passive...

Krishnan, S

1990-01-01T23:59:59.000Z

384

Measuring Interfacial Stiffness of Adhesively-Bonded Wood  

E-Print Network (OSTI)

1 Measuring Interfacial Stiffness of Adhesively-Bonded Wood Edward A. Le FPInnovations - Engineered Wood Products Manufacturing 2665 East Mall Vancouver, BC V6T 1W5 Canada Email: Edward.Le@FPInnovations.ca John A. Nairn Wood Science & Engineering Oregon State University Corvallis, OR 97330, USA Email: John

Nairn, John A.

385

Liquid metal thermal electric converter  

DOE Patents (OSTI)

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.

Abbin, Joseph P. (Albuquerque, NM); Andraka, Charles E. (Albuquerque, NM); Lukens, Laurance L. (Albuquerque, NM); Moreno, James B. (Albuquerque, NM)

1989-01-01T23:59:59.000Z

386

Method of forming and assembly of metal and ceramic parts  

DOE Patents (OSTI)

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.

Ripley, Edward B

2014-04-22T23:59:59.000Z

387

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

SciTech Connect

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.

Bitterwolf, Thomas E. [University of Idaho

2014-12-09T23:59:59.000Z

388

XPS study of Eu(III) coordination compounds: Core levels binding energies in solid mixed-oxo-compounds EumXxOy  

Science Journals Connector (OSTI)

Literature is relatively sparse on XPS studies of europium compounds: it is essentially restricted to metallic compounds (EuM5, in which M is a transition metal) or to simple oxides. While particular interest have been devoted to understanding physical phenomenon in the beginning of “shake-down” and “shake-up” satellites evidenced on core-level regions of the lanthanides, few information on absolute binding energies (BE) was available. This paper reports an XPS binding energy data base for europium(III) compounds, in which Eu cation have various chemical environments: simple oxide Eu2O3, Eu mixed oxides with organic oxalate, acetylacetonate or inorganic sulfate, nitrate, carbonate ligands. The values of core-level BE (O1s, Eu3d and Eu4d) and the characteristics of shake-down satellites of Eu3d are reported, and their variations are attributed to ionicity/covalency changes. Such interpretation was already published for Group A mixed oxides and zeolites. These data are needed for determining Eu(III) species sorbed onto minerals in the presence of various ligands in the framework of retention studies for assessing the safety of future nuclear waste disposals.

F. Mercier; C. Alliot; L. Bion; N. Thromat; P. Toulhoat

2006-01-01T23:59:59.000Z

389

Nuclear reactor fuel structure containing uranium alloy wires embedded in a metallic matrix plate  

SciTech Connect

A nuclear fuel-containing plate structure for a nuclear reactor is described; such structure comprising a pair of malleable metallic non-fissionable matrix plates having confronting surfaces which are pressure bonded together and fully united to form a bonded surface, and elongated malleable wire-like fissionable fuel members separately confined and fully enclosed between the matrix plates along the interface to afford a high fuel density as well as structural integrity and effective retention of fission products. The plates have separate recesses formed in the confronting surfaces for closely receiving the wire-like fissionable fuel members. The wire-like fissionable fuel members are made of a maleable uranium alloy capable of being formed into elongated wire-like members and capable of withstanding pressure bonding. The wire-like fissionable fuel members are completely separated and isolated by fully united portions of the interface.

Travelli, A.

1988-01-19T23:59:59.000Z

390

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...

391

Synthesis, chemical bonding and physical properties of RERhB{sub 4} (RE=Y, Dy-Lu)  

SciTech Connect

The compounds of rare-earth metals with rhodium and boron RERhB{sub 4} (RE=Y, Dy-Lu) crystallize with the orthorhombic structure type YCrB{sub 4} (space group Pbam, Pearson symbol oP24). The crystal structures of the compounds with RE=Y, Er, Tm and Yb were refined by using single-crystal diffraction data. Analysis of chemical bonding for YRhB{sub 4} and YbRhB{sub 4} was performed by electron localizability indicator and by calculation of quantum chemical charges (quantum theory of atoms in molecules). Boron and rhodium form the 3-D polyanion containing planar nets of three-bonded boron atoms interconnected by rhodium along [001]. The interaction of the RE species with the rhodium-boron polyanion is predominantly ionic. Magnetic susceptibility data of TmRhB{sub 4} and YbRhB{sub 4} showed that the RE species are in 4f{sup 12} (Tm) and 4f{sup 13} (Yb) electronic states, respectively. In the low-temperature region, the specific heat revealed a Schottky anomaly for TmRhB{sub 4} while an antiferromagnetic transition is observed at 3.5 K for YbRhB{sub 4}. X-ray absorption measurement at the Yb L{sub III} edge for YbRhB{sub 4} reveals the 4f{sup 13} state of ytterbium. - Graphical abstract: The compounds of rare-earth metals with rhodium and boron RERhB{sub 4} (RE=Y, Dy-Lu) crystallize with the orthorhombic structure type YCrB{sub 4}. Analysis of chemical bonding for YRhB{sub 4} and YbRhB{sub 4} was performed by electron localizability indicator and by calculation of quantum chemical charges (quantum theory of atoms in molecules). Boron and rhodium form the 3-D polyanion containing planar nets of three-bonded boron atoms interconnected by rhodium along [001]. The interaction of the RE species with the rhodium-boron polyanion is predominantly ionic.

Veremchuk, I. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Str. 40, 01187 Dresden (Germany); Mori, T. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Str. 40, 01187 Dresden (Germany); National Institute for Materials Science, Namiki 1-1, Tsukuba 305-0044 (Japan); Prots, Yu.; Schnelle, W.; Leithe-Jasper, A.; Kohout, M. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Str. 40, 01187 Dresden (Germany); Grin, Yu. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Str. 40, 01187 Dresden (Germany)], E-mail: grin@cpfs.mpg.de

2008-08-15T23:59:59.000Z

392

Activation of Noble Metals on Metal-Carbide Surfaces: Novel Catalysts for CO Oxidation, Desulfurization and Hydrogenation Reactions  

SciTech Connect

This perspective article focuses on the physical and chemical properties of highly active catalysts for CO oxidation, desulfurization and hydrogenation reactions generated by depositing noble metals on metal-carbide surfaces. To rationalize structure-reactivity relationships for these novel catalysts, well-defined systems are required. High-resolution photoemission, scanning tunneling microscopy (STM) and first-principles periodic density-functional (DF) calculations have been used to study the interaction of metals of Groups 9, 10 and 11 with MC(001) (M = Ti, Zr, V, Mo) surfaces. DF calculations give adsorption energies that range from 2 eV (Cu, Ag, Au) to 6 eV (Co, Rh, Ir). STM images show that Au, Cu, Ni and Pt grow on the carbide substrates forming two-dimensional islands at very low coverage, and three-dimensional islands at medium and large coverages. In many systems, the results of DF calculations point to the preferential formation of admetal-C bonds with significant electronic perturbations in the admetal. TiC(001) and ZrC(001) transfer some electron density to the admetals facilitating bonding of the adatom with electron-acceptor molecules (CO, O{sub 2}, C{sub 2}H{sub 4}, SO{sub 2}, thiophene, etc.). For example, the Cu/TiC(001) and Au/TiC(001) systems are able to cleave both S-O bonds of SO{sub 2} at a temperature as low as 150 K, displaying a reactivity much larger than that of TiC(001) or extended surfaces of bulk copper and gold. At temperatures below 200 K, Au/TiC is able to dissociate O{sub 2} and perform the 2CO + O{sub 2} {yields} 2CO{sub 2} reaction. Furthermore, in spite of the very poor hydrodesulfurization performance of TiC(001) or Au(111), a Au/TiC(001) surface displays an activity for the hydrodesulfurization of thiophene higher than that of conventional Ni/MoS{sub x} catalysts. In general, the Au/TiC system is more chemically active than systems generated by depositing Au nanoparticles on oxide surfaces. Thus, metal carbides are excellent supports for enhancing the chemical reactivity of noble metals.

Rodriguez J. A.; Illas, F.

2012-01-01T23:59:59.000Z

393

Transition-Metal Hydrides  

NLE Websites -- All DOE Office Websites (Extended Search)

Transition-Metal Hydride Electrochromics Transition-Metal Hydride Electrochromics A new type of electrochromic hydride material has interesting and unusual properties. Thin Ni-Mg films, for example, are mirror-like in appearance and have very low visible transmittance. On exposure to hydrogen gas or on reduction in alkaline electrolyte, the films become transparent. The transition is believed to result from formation of nickel magnesium hydride, Mg2NiH4. Switchable mirrors based on rare earth hydrides were discovered in 1996 at Vrije University in the Netherlands, Rare earth-magnesium alloy films were subsequently found to be superior to the pure lanthanides in maximum transparency and mirror-state reflectivity by Philips Laboratories. The newer transition-metal types which use less expensive and less reactive materials were discovered at LBNL. This has now become a very active area of study with a network of researchers.

394

Hard metal composition  

DOE Patents (OSTI)

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.

Sheinberg, H.

1983-07-26T23:59:59.000Z

395

Hard metal composition  

DOE Patents (OSTI)

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.

Sheinberg, Haskell (Los Alamos, NM)

1986-01-01T23:59:59.000Z

396

Catalysis Without Precious Metals  

SciTech Connect

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.

Bullock, R. Morris

2010-11-01T23:59:59.000Z

397

Metal alloy identifier  

DOE Patents (OSTI)

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.

Riley, William D. (Avondale, MD); Brown, Jr., Robert D. (Avondale, MD)

1987-01-01T23:59:59.000Z

398

Kinetic simulation of heterogeneous catalytic processes: Ethane hydrogenolysis over supported group VIII metals  

SciTech Connect

A kinetic model for ethane hydrogenolysis over Pt, Pd, Ir, and Co was formulated in terms of essentially two chemical parameters: the strength of bonding between atomic hydrogen and the metal surface and the strength of carbon-metal bonding between hydrocarbon fragments and the surface. These two surface bond strengths were estimated by calorimetric measurements of the heats of H{sub 2} and CO adsorption, combined with bond order conservation calculations. The results of the kinetic simulations suggest that ethane hydrogenolysis over Pt, Pd, Ir and Co takes place through irreversible C-C rupture of C{sub 2}H{sub 4} and C{sub 2}H{sub 3} surface species. Hydrogenation of monocarbon CH{sub y} fragments is kinetically insignificant. Dissociative adsorption of hydrogen is an equilibrated process, while dissociative adsorption of ethane is slow and reversible. Finally, the role of kinetic modeling in the formulation, interpretation, and generalization of experimental research in heterogeneous catalysis is discussed.

Goddard, S.A.; Amiridis, M.D.; Rekoske, J.E.; Cardona-Martinez, N.; Dumesic, J.A. (Univ. of Wisconsin, Madison (USA))

1989-05-01T23:59:59.000Z

399

The transformation of organic amines by transition metal cluster compounds. Progress report, 1993--1994  

SciTech Connect

In the recent year, the authors extended investigations into insertion reactions by investigating the insertion of dicarboxylate acetylene into the metal-metal bond of Re{sub 2}(CO){sub 9}(NCMe). Secondly, the authors considered the ring opening reactions of the cyclic thioethers: tetrahydrothiophene and thiacyclohexane when complexed to Os{sub 3}(CO){sub 10}(NCMe){sub 2}. In a third effort, various osmium complexes of cyclobutynes were synthesized and the subsequent reactivity probed. Finally, energy storage (via absorption of UV-visible photons) in osmium cluster compounds was investigated.

Adams, R.D.

1994-01-01T23:59:59.000Z

400

Investigation of metal-insulator like transition through the ab initio density matrix renormalization group approach  

E-Print Network (OSTI)

We have studied the Metal-Insulator like Transition (MIT) in lithium and beryllium ring-shaped clusters through ab initio Density Matrix Renormalization Group (DMRG) method. Performing accurate calculations for different interatomic distances and using Quantum Information Theory (QIT) we investigated the changes occurring in the wavefunction between a metallic-like state and an insulating state built from free atoms. We also discuss entanglement and relevant excitations among the molecular orbitals in the Li and Be rings and show that the transition bond length can be detected using orbital entropy functions. Also, the effect of different orbital basis on the effectiveness of the DMRG procedure is analyzed comparing the convergence behavior.

Fertitta, E; Barcza, G; Legeza, Ö

2014-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


401

Actinides in metallic waste from electrometallurgical treatment of spent nuclear fuel.  

SciTech Connect

Argonne National Laboratory has developed a pyroprocessing-based technique for conditioning spent sodium-bonded nuclear-reactor fuel in preparation for long-term disposal. The technique produces a metallic waste form whose nominal composition is stainless steel with 15 wt.% Zr (SS-15Zr), up to {approx} 11 wt.% actinide elements (primarily uranium), and a few percent metallic fission products. Actual and simulated waste forms show similar eutectic microstructures with approximately equal proportions of iron solid solution phases and Fe-Zr intermetallics. This article reports on an analysis of simulated waste forms containing uranium, neptunium, and plutonium.

Janney, D. E.; Keiser, D. D., Jr.; Engineering Technology

2003-09-01T23:59:59.000Z

402

Role of interatomic bonding in the mechanical anisotropy and interlayer cohesion of CSH crystals  

SciTech Connect

Atomic scale properties of calcium silicate hydrate (CSH), the main binding phase of hardened Portland cement, are not well understood. Over a century of intense research has identified almost 50 different crystalline CSH minerals which are mainly categorized by their Ca/Si ratio. The electronic structure and interatomic bonding in four major CSH crystalline phases with structures close to those found in hardened cement are investigated via ab initio methods. Our result reveals the critical role of hydrogen bonding and importance of specifying precise locations for water molecules. Quantitative analysis of contributions from different bond types to the overall cohesion shows that while the Si-O covalent bonds dominate, the hydrogen bonding and Ca-O bonding are also very significant. Calculated results reveal the correlation between bond topology and interlayer cohesion. The overall bond order density (BOD) is found to be a more critical measure than the Ca/Si ratio in classifying different CSH crystals.

Dharmawardhana, C.C. [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States)] [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States); Misra, A. [Department of Civil, Environmental, and Architectural Engineering, University of Kansas, Lawrence, KS 66045 (United States)] [Department of Civil, Environmental, and Architectural Engineering, University of Kansas, Lawrence, KS 66045 (United States); Aryal, S.; Rulis, P. [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States)] [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States); Ching, W.Y., E-mail: ccdxz8@mail.umkc.edu [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States)

2013-10-15T23:59:59.000Z

403

Chemical Bonding In Amorphous Si Coated-carbon Nanotube As Anodes...  

NLE Websites -- All DOE Office Websites (Extended Search)

Bonding In Amorphous Si Coated-carbon Nanotube As Anodes For Li ion Batteries: A XANES Study. Chemical Bonding In Amorphous Si Coated-carbon Nanotube As Anodes For Li ion...

404

Imaging Adsorbate O-H Bond Cleavage: Methanol on TiO2(110). ...  

NLE Websites -- All DOE Office Websites (Extended Search)

Adsorbate O-H Bond Cleavage: Methanol on TiO2(110). Imaging Adsorbate O-H Bond Cleavage: Methanol on TiO2(110). Abstract: We investigated methanol adsorption and dissociation on...

405

Experimental method to find weak bond distribution functions in a high-temperature superconductor  

Science Journals Connector (OSTI)

A simple phenomenological model of a weakly bonded superconductor is suggested. The model considers the transition from a single weak dangling bond to a disruptive two-dimensional structure in taking the I–V char...

M. A. Vasyutin

2013-11-01T23:59:59.000Z

406

Hydrogen Bonding Interactions Between Ions: A Powerful Tool in Molecular Crystal Engineering  

Science Journals Connector (OSTI)

Hydrogen bonding interactions are the strongest of the non-covalent interactions and are highly directional (hence transportable and reproducible). With respect to hydrogen bonds between neutral molecules the hyd...

Dario Braga; Lucia Maini; Marco Polito…

2004-01-01T23:59:59.000Z

407

Hydrogen Bonding, H-D Exchange, and Molecular Mobility in Thin...  

NLE Websites -- All DOE Office Websites (Extended Search)

Bonding, H-D Exchange, and Molecular Mobility in Thin Water Films on TiO2(110). Hydrogen Bonding, H-D Exchange, and Molecular Mobility in Thin Water Films on TiO2(110). Abstract:...

408

Transition metal oxides deposited on rhodium and platinum: Surface chemistry and catalysis  

SciTech Connect

The surface chemistry and catalytic reactivity of transition metal oxides deposited on Rh and Pt substrates has been examined in order to establish the role of oxide-metal interactions in influencing catalytic activity. The oxides investigated included titanium oxide (TiOx), vanadium oxide (VOx), iron oxide (FeOx), zirconium oxide (ZrOx), niobium oxide (NbOx), tantalum oxide (TaOx), and tungsten oxide (WOx). The techniques used to characterize the sample included AES, XPS, LEED, TPD, ISS, and STM. After characterization of the surface in UHV, the sample was enclosed in an atmospheric reaction cell to measure the influence of the oxide deposits on the catalytic activity of the pure metal for CO and CO{sub 2} hydrogenation. The oxide deposits were found to strongly enhance the reactivity of the Rh foil. The rates of methane formation were promoted by up to 15 fold with the maximum in rate enhancement occurring at oxide coverages of approximately 0.5 ML. TiOx TaOx, and NbOx were the most effective promoters and were stable in the highest oxidation states during both reactions (compared to VOx, WOx, and FeOx). The trend in promoter effectiveness was attributed to the direct relationship between oxidation state and Lewis acidity. Bonding at the metal oxide/metal interface between the oxygen end of adsorbed CO and the Lewis acidic oxide was postulated to facilitate C-O bond dissociation and subsequent hydrogenation. 192 refs.

Boffa, A.B. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry; [Lawrence Berkeley Lab., CA (United States). Materials Sciences Div.

1994-07-01T23:59:59.000Z

409

Method for improving the oxidation-resistance of metal substrates coated with thermal barrier coatings  

DOE Patents (OSTI)

A method for providing a protective coating on a metal-based substrate is disclosed. The method involves the application of an aluminum-rich mixture to the substrate to form a discontinuous layer of aluminum-rich particles, followed by the application of a second coating over the discontinuous layer of aluminum-rich particles. Aluminum diffuses from the aluminum-rich layer into the substrate, and into any bond coat layer which is subsequently applied. Related articles are also described.

Thompson, Anthony Mark (Niskayuna, NY); Gray, Dennis Michael (Delanson, NY); Jackson, Melvin Robert (Niskayuna, NY)

2002-01-01T23:59:59.000Z

410

Wick for metal vapor laser  

DOE Patents (OSTI)

An improved wick for a metal vapor laser is made of a refractory metal cylinder, preferably molybdenum or tungsten for a copper laser, which provides the wicking surface. Alternately, the inside surface of the ceramic laser tube can be metalized to form the wicking surface. Capillary action is enhanced by using wire screen, porous foam metal, or grooved surfaces. Graphite or carbon, in the form of chunks, strips, fibers or particles, is placed on the inside surface of the wick to reduce water, reduce metal oxides and form metal carbides.

Duncan, David B. (Livermore, CA)

1992-01-01T23:59:59.000Z

411

Bond County, Illinois: Energy Resources | Open Energy Information  

Open Energy Info (EERE)

Bond County, Illinois: Energy Resources Bond County, Illinois: Energy Resources Jump to: navigation, search Equivalent URI DBpedia Coordinates 38.902985°, -89.4742177° Loading map... {"minzoom":false,"mappingservice":"googlemaps3","type":"ROADMAP","zoom":14,"types":["ROADMAP","SATELLITE","HYBRID","TERRAIN"],"geoservice":"google","maxzoom":false,"width":"600px","height":"350px","centre":false,"title":"","label":"","icon":"","visitedicon":"","lines":[],"polygons":[],"circles":[],"rectangles":[],"copycoords":false,"static":false,"wmsoverlay":"","layers":[],"controls":["pan","zoom","type","scale","streetview"],"zoomstyle":"DEFAULT","typestyle":"DEFAULT","autoinfowindows":false,"kml":[],"gkml":[],"fusiontables":[],"resizable":false,"tilt":0,"kmlrezoom":false,"poi":true,"imageoverlays":[],"markercluster":false,"searchmarkers":"","locations":[{"text":"","title":"","link":null,"lat":38.902985,"lon":-89.4742177,"alt":0,"address":"","icon":"","group":"","inlineLabel":"","visitedicon":""}]}

412

Wafer bonded virtual substrate and method for forming the same  

DOE Patents (OSTI)

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.

Atwater, Jr., Harry A. (So. Pasadena, CA); Zahler, James M. (Pasadena, CA); Morral, Anna Fontcuberta i (Paris, FR)

2007-07-03T23:59:59.000Z

413

Characterization of Fuel-Cladding Bond Strength Using Laser Shock  

SciTech Connect

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.

James A. Smith; David L. Cottle; Barry H. Rabin

2014-04-01T23:59:59.000Z

414

Effect of nuclear ownership on utility bond ratings and yields  

SciTech Connect

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.

Nesse, R.J.

1982-02-01T23:59:59.000Z

415

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

SciTech Connect

This presentation reviews the status of the performance and reliability of bonded interfaces for high-temperature packaging.

Devoto, D.

2014-06-01T23:59:59.000Z

416

Human-animal interactions, relationships and bonds: a review and analysis of the literature  

E-Print Network (OSTI)

human-animal bond: health implications across the lifespan.H. (2012). Mental health implications of human attachment to

Hosey, Geoff; Melfi, Vicky

2014-01-01T23:59:59.000Z

417

Preliminary Investigations of Joining Technologies for Attaching Refractory Metals to Ni-Based Superalloys  

SciTech Connect

In this study, a range of joining technologies has been investigated for creating attachments between refractory metal and Ni-based superalloys. Refractory materials of interest include Mo-47%Re, T-111, and Ta-10%W. The Ni-based superalloys include Hastelloy X and MarM 247. During joining with conventional processes, these materials have potential for a range of solidification and intermetallic formation-related defects. For this study, three non-conventional joining technologies were evaluated. These included inertia welding, electro-spark deposition (ESD) welding, and magnetic pulse welding (MPW). The developed inertia welding practice closely paralleled that typically used for the refractory metals alloys. Metallographic investigations showed that forging during inertia welding occurred predominantly on the refractory metal side. It was also noted that at least some degree of forging on the Ni-based superalloy side of the joint was necessary to achieve consistent bonding. Both refractory metals were readily weldable to the Hastelloy X material. When bonding to the MarM 247, results were inconsistent. This was related to the higher forging temperatures of the MarM 247, and subsequent reduced deformation on that material during welding. ESD trials using a Hastelloy X filler were successful for all material combinations. ESD places down very thin (5- to 10-{mu}m) layers per pass, and interactions between the substrates and the fill were limited (at most) to that layer. For the refractory metals, the fill only appeared to wet the surface, with minimal dilution effects. Microstructures of the deposits showed high weld metal integrity with maximum porosity on the order of a few percent. Some limited success was also obtained with MPW. In these trials, only the T-111 tubes were used. Joints were possible for the T-111 tube to the Hastelloy X bar stock, but the stiffness of the tube (resisting collapse) necessitated the use of very high power levels. These power levels resulted in damage to the equipment (concentrator) during welding. It is of note that the joint made showed the typical wavy bond microstructure associated with magnetic pulse/explosion bond joints. Joints were not possible between the T-111 tube and the MarM 247 bar stock. In this case, the MarM 247 shattered before sufficient impact forces could be developed for bonding.

Gould, Jerry E. [Edison Welding Institute, 1250 Arthur E. Adams Drive, Columbus, OH 43221 (United States); Ritzert, Frank J. [NASA Glenn Research Center, 21000 Brookpark Road, Mail Stop 49-1, Cleveland, OH 44135 (United States); Loewenthal, William S. [Ohio Aerospace Institute, 21000 Brookpark Road, Mail Stop 49-1, Cleveland, OH 44135 (United States)

2006-01-20T23:59:59.000Z

418

Insulator-metal transition on the triangular lattice  

Science Journals Connector (OSTI)

Mott insulators with a half-filled band of electrons on the triangular lattice have been recently studied in a variety of organic compounds. All of these compounds undergo transitions to metallic and/or superconducting states under moderate hydrostatic pressure. We describe the Mott insulator using its hypothetical proximity to a Z2 spin liquid of bosonic spinons. This spin liquid has quantum phase transitions to descendant confining states with Néel or valence bond solid order, and the insulator can be on either side of one of these transitions. We present a theory of fermionic charged excitations in these states and describe the route to metallic states with Fermi surfaces. We argue that an excitonic condensate can form near this insulator-metal transition due to the formation of charge neutral pairs of charge +e and charge ?e fermions. This condensate breaks the lattice space group symmetry, and we propose its onset as an explanation of a low temperature anomaly in ?-(ET)2Cu2(CN)3. We also describe the separate BCS instability of the metallic states to the pairing of like-charge fermions and the onset of superconductivity.

Yang Qi and Subir Sachdev

2008-04-09T23:59:59.000Z

419

Method of attaching ceramics to gas-turbine metal components  

SciTech Connect

When attaching ceramics to metal gas-turbine parts, an interlayer of lowmodulus fiber metal is recommended as a buffer layer to compensate for the different coefficients of thermal expansion. This elastic interlayer, made of matted and sintered metallic fibers, is actually a woven mat with 90% of the volume taken up by porosity. Nickel alloys, Hastelloy-X, Inconel-600, FeCrAlSi, and FeCrAlY can be used for the interlayer. However, the last two alloys provide optimum oxidation and high-temperature-corrosion resistance. The interlayers are attached to the component metal by normal brazing, while the ceramic is attached by plasma spraying. The bond between the ceramic and the interlayer is formed by the penetration and condensation of the sprayed powder in the interlayer pores. This joining method can be most efficiently used in high-pressure-turbine seals; combustion-chamber facings; facings of slag hoppers and boosted steamboiler combustion chambers; coal gasification equipment, including valves, cyclones, transport main pipelines and exhaust valves; cylinder heads; and diesel engine pistons.

Legchilin, P.F.

1985-01-01T23:59:59.000Z

420

Flip chip electrical interconnection by selective electroplating and bonding  

E-Print Network (OSTI)

on a glass substrate made of 500/2000 A° of Cr/Au with 3150 lm in length and 10 lm in width. Two silicon. The interconnection chip has 102 Cr/Au interconnection lines with 3150 lm in length and 10 lm in width. The bonding pads on the ends of the interconnection lines are 40 lm by 40 lm. A 0.8 lm thick layer of aluminum

Lin, Liwei

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


421

Compacting Plastic-Bonded Explosive Molding Powders to Dense Solids  

SciTech Connect

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.

B. Olinger

2005-04-15T23:59:59.000Z

422

Quantum Confinement in Hydrogen Bond of DNA and RNA  

E-Print Network (OSTI)

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.

Santos, da Silva dos; Ricotta, Regina Maria

2015-01-01T23:59:59.000Z

423

Thermal conductance of metal-metal interfaces  

Science Journals Connector (OSTI)

The thermal conductance of interfaces between Al and Cu is measured in the temperature range 78metal-dielectric interfaces. The magnitude and the linear temperature dependence of the conductance are described well by a diffuse-mismatch model for electron transport at interfaces.

Bryan C. Gundrum; David G. Cahill; Robert S. Averback

2005-12-30T23:59:59.000Z

424

A Very Short Ruthenium(II) - Nitrogen Heterocycle Bond  

NLE Websites -- All DOE Office Websites (Extended Search)

Very Short Ruthenium(II) - Nitrogen Heterocycle Bond: The Crystal Very Short Ruthenium(II) - Nitrogen Heterocycle Bond: The Crystal Structures of Pentaammine(N-methylpyrazinium)ruthenium(II) Iodide and Pentaammine(N-methylpyrazinium)ruthenium(III) p-Toluenesulfonate Pentahydrate James F. Wishart, Avi Bino and Henry Taube Inorg. Chem. 25, 3318-3321 (1986) Abstract: The crystal structures of [(NH3)5Ru(NC4H4NCH3)] I3 and [(NH3)5Ru(NC4H4NCH3)] (CH3C6H4SO3)4°5H2O have been solved to weighted R factors of 0.053 and 0.083, respectively. For the former structure, the space group is Pmma with a = 10.655(2)Å, b = 7.704(1)Å, c = 21.488(3)Å, and Z = 4. The Ru(II)-N(Mepyz) distance of 1.95(1)Å in this complex is the shortest yet reported for a ruthenium(II) to heteroctclic nitrogen bond. A difference of 0.04(1)Å between the cis (2.122(7)Å and 2.136(8)Å) and

425

Vacuum fusion bonded glass plates having microstructures thereon  

DOE Patents (OSTI)

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.

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

2001-01-01T23:59:59.000Z

426

Scanning white light interferometry in quality control of single-point tape automated bonding  

Science Journals Connector (OSTI)

We report on applying a scanning white light interferometry (SWLI) for quality control of aluminum lead single-point tape automated bonding (spTAB). A spTAB process was used to connect Al leads on a thin polyimide flex to Al bond pads on a flexible Al-polyimide ... Keywords: Bonding, Interferometry

Ivan Vl. Kassamakov; Henri O. Seppänen; Markku J. Oinonen; Edward O. Híggström; J. Mathias Österberg; Juha P. Aaltonen; Heimo Saarikko; Zoran P. Radivojevic

2007-01-01T23:59:59.000Z

427

AN INVESTIGATION OF THE BONDING AT THE CONCRETE POLYMER COMPOSITE INTERFACE  

E-Print Network (OSTI)

AN INVESTIGATION OF THE BONDING AT THE CONCRETE POLYMER COMPOSITE INTERFACE Wai How Soong, S, USA. ABSTRACT Bonding between the concrete and polymer composite (reinforcement) tendon was studied) and surface roughness of composite reinforcement tendons on the two types of bond strengths were investigated

428

Bonding in Sodium Chloride Nanotubes: A New Analysis via Madelung Constants and Cohesive Energies  

E-Print Network (OSTI)

1 Bonding in Sodium Chloride Nanotubes: A New Analysis via Madelung Constants and Cohesive Energies is introduced which employs a linear relationship between nanotube cohesive energies determined via Density between ionic and cohesive bonding energies indicate that, as the nanotubes become longer, ionic bonding

Hanusa, Christopher

429

Proton transfer reactions and hydrogen-bond networks in protein environments  

Science Journals Connector (OSTI)

...recognized that a salt bridge is a strong H-bond and plays a...pronounced in salt bridges owing to the large pK a difference for the H-bond donor and acceptor...for single-well H-bond formation is...required for salt-bridge formation, which...

2014-01-01T23:59:59.000Z

430

Improved Enantioselective Synthesis of (?)-Linderol A: Hindered Rotation about Aryl?Csp3 Bond  

Science Journals Connector (OSTI)

Improved Enantioselective Synthesis of (?)-Linderol A: Hindered Rotation about Aryl?Csp3 Bond ... (11) In general, Ar?Csp3 bonds have very low rotation barriers. ... Atropisomerism about Aryl–Csp3 Bonds: The Electronic and Steric Influence of ortho-Substituents on Conformational Exchange in Cannabidiol and Linderatin Derivatives ...

Pierre-Olivier Delaye; Pedro Lameiras; Nelly Kervarec; Catherine Mirand; Hatice Berber

2010-03-24T23:59:59.000Z

431

5750 J. Am. Chem. SOC.1990, 112, 5750-5759 Bond Strengths of Ethylene and Acetylene  

E-Print Network (OSTI)

5750 J. Am. Chem. SOC.1990, 112, 5750-5759 Bond Strengths of Ethylene and Acetylene Kent M. Ervin-phase proton transfer kinetics were employed to determine the CH bond dissociationenergiesof acetylene,ethylene-H) = 81.0f 3.5 kcal mol-'. The strengths of each of the other CH and CC bonds in acetylene and ethylene

Ellison, Barney

432

Molecular surface electrostatic potentials in the analysis of non-hydrogen-bonding noncovalent interactions  

SciTech Connect

Electrostatic potentials computed on molecular surfaces are used to analyze some noncovalent interactions that are not in the category of hydrogen bonding, e.g. halogen bonding. The systems examined include halogenated methanes, substituted benzenes, s-tetrazine and 1,3-bisphenylurea. The data were obtained by ab initio SCF calculations. Electrostatic potentials, Non-hydrogen-bonding noncovalent interactions, Molecular surfaces.

Murray, J.S.; Paulsen, K.; Politzer, P.

1993-12-27T23:59:59.000Z

433

The Hydrogen Bonding of Cytosinewith Guanine:Calorimetric and`H-NMR Analysis  

E-Print Network (OSTI)

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

Williams, Loren

434

Hydrogen bond breaking probed with multidimensional stimulated vibrational echo correlation spectroscopy  

E-Print Network (OSTI)

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

Fayer, Michael D.

435

Hydrogen bond dynamics in membrane protein function Ana-Nicoleta Bondar a,  

E-Print Network (OSTI)

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

White, Stephen

436

Hydrogen Bond Dissociation and Reformation in Methanol Oligomers Following Hydroxyl Stretch Relaxation  

E-Print Network (OSTI)

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

Fayer, Michael D.

437

Hydrogen bond dynamics in the active site of photoactive yellow protein  

E-Print Network (OSTI)

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

Herschlag, Dan

438

Native Hydrogen Bonds in a Molten Globule: The Apoflavodoxin Thermal Intermediate  

E-Print Network (OSTI)

Native Hydrogen Bonds in a Molten Globule: The Apoflavodoxin Thermal Intermediate Marõ�a P. Iru�n1 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

Sancho, Javier

439

Moving to Metal  

Science Journals Connector (OSTI)

It is possible to 3D print in metal starting with a powder that...sintered...) by a laser or glued with a binder. As of this writing, this remains a very expensive process, and these are not desktop consumer prin...

Joan Horvath

2014-01-01T23:59:59.000Z

440

Mathematics in metal  

Science Journals Connector (OSTI)

...sculptures begin as a piece of computer code that dictates how the metal-printed parts fit together. She’s been using 3D printing for 15 years to forge her work and says the recent surge in popularity of the technology has opened up a few new opportunities...

Stephen Ornes

2013-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


441

Serpentine metal gasket  

DOE Patents (OSTI)

A metallic seal or gasket for use in the joining of cryogenic fluid conduits, the seal or gasket having a generally planar and serpentine periphery defining a central aperture. According to a preferred embodiment, the periphery has at least two opposing elongated serpentine sides and two opposing arcuate ends joining the opposing elongated serpentine sides and is of a hexagonal cross-section.

Rothgeb, Timothy Moore (Norfolk, VA); Reece, Charles Edwin (Yorktown, VA)

2009-06-02T23:59:59.000Z

442

Metal stocks and sustainability  

Science Journals Connector (OSTI)

...1–4). Unlike oil, which is irremediably...relative scarcity (or price) of the material substituted...interior wiring; plumbing, heating, and architectural uses; and...defined in terms of current prices and costs of production; this...cost-effective at current metal prices. Because the real price of copper has remained...

R. B. Gordon; M. Bertram; T. E. Graedel

2006-01-01T23:59:59.000Z

443

Pile on the metal  

Science Journals Connector (OSTI)

Discovering superconductivity above room temperature is a dream for modern science and technology. Now, theorists propose that for certain types of superconductors, contact with a metal layer could greatly increase the transition temperatures of these materials—in some cases by as much as an order of magnitude.

Dung-Hai Lee

2008-09-15T23:59:59.000Z

444

Photomagnetism of metals  

Science Journals Connector (OSTI)

A photoinduced magnetic moment has been observed in Cu and Al samples exposed to unpolarized visible light at low temperatures. It is shown that the light refected from a metal surface transfers some of its quasimomentum to conduction electrons. This mechanism creates surface currents which, for an appropriate geometry, bring about the photomagnetic effect.

V. L. Gurevich; R. Laiho; A. V. Lashkul

1992-07-06T23:59:59.000Z

445

Lithium Metal Anodes for Rechargeable Batteries. | EMSL  

NLE Websites -- All DOE Office Websites (Extended Search)

Metal Anodes for Rechargeable Batteries. Lithium Metal Anodes for Rechargeable Batteries. Abstract: Rechargeable lithium metal batteries have much higher energy density than those...

446

The Influence of MSI (Metal-Support Interactions) and the Solvent in Liquid-Phase Reactions  

SciTech Connect

Results were repeatedly obtained that were consistent with a hypothesis proposed at the beginning of this program, i.e., due to Metal-Support Interactions (MSI), unique active sites can be created in the metal-support interfacial region to enhance activity and improve selectivity in certain types of reactions, especially those involving the hydrogenation of carbonyl and unsaturated C=C bonds. Higher turnover frequencies (TOF-molecule/s/site) and increased selectivity for C=O bond versus C=C bond hydrogenation was established in the hydrogenation reactions of: acetone, crotonaldehyde, acetophenone, phenylethanol, acetylcyclohexane, benzaldehyde, benzyl alcohol, phenylacetaldehyde and citral over Pt/TiO{sub 2} MSI catalysts. Higher rates of hydrogenation benzene, toluene and xylene could be obtained over certain supported Pt and Pd catalysts. Au/TiO{sub 2} catalysts were developed that were active for CO hydrogenation at subambient temperatures. The influence of support and metal crystallite size were established for the adsorption of H{sub 2}, CO and O{sub 2} on families of Pt and Pd catalysts.

Vannice, M. A.

2003-05-30T23:59:59.000Z

447

Extensive Interstitial Solid Solutions of Metals in Metals  

Science Journals Connector (OSTI)

A new type of metallic solid solution has been prepared in which <~12.5 at.% of comparatively small metal atoms (Cu) fill interstitial sites in a host metal composed of larger atoms (Y). At higher solute concentrations, both interstitial and substitutional sites are occupied. These solid solutions are metastable; they were formed by ultrarapid quenching from the liquid.

B. C. Giessen; R. Ray; S. H. Hahn

1971-03-01T23:59:59.000Z

448

Effects of surface treatment on the bonding quality of wafer-level Cu-to-Cu thermo-compression bonding for 3D integration  

Science Journals Connector (OSTI)

Various surface treatments are applied for surface oxide removal prior to wafer-level Cu-to-Cu thermo-compression bonding and the bonding quality is systematically analyzed in this work. Three methods are investigated: self-assembled monolayer (SAM) passivation, forming gas annealing and acetic acid wet cleaning. The surface conditions are carefully examined including roughness, contact angle and x-ray photoelectron spectroscopy (XPS) scan. The wafer pairs are bonded at 250??C under a bonding force of 5500?N for a duration of 1?h in a vacuum environment. The bonding medium consists of a Cu (300?nm) bonding layer and a Ti (50?nm) barrier layer. The bonding quality investigation consists of two parts: hermeticity based on helium leak test and mechanical strength using four-point bending method. Although all samples under test with different surface treatment methods present an excellent hermetic seal and a robust mechanical support, the measurement results show that samples bonded after SAM passivation exhibit the best hermeticity and bonding strength for 3D integration application.

J Fan; D F Lim; C S Tan

2013-01-01T23:59:59.000Z

449

Purification of alkali metal nitrates  

DOE Patents (OSTI)

A process is disclosed for removing heavy metal contaminants from impure alkali metal nitrates containing them. The process comprises mixing the impure nitrates with sufficient water to form a concentrated aqueous solution of the impure nitrates, adjusting the pH of the resulting solution to within the range of between about 2 and about 7, adding sufficient reducing agent to react with heavy metal contaminants within said solution, adjusting the pH of the solution containing reducing agent to effect precipitation of heavy metal impurities and separating the solid impurities from the resulting purified aqueous solution of alkali metal nitrates. The resulting purified solution of alkali metal nitrates may be heated to evaporate water therefrom to produce purified molten alkali metal nitrate suitable for use as a heat transfer medium. If desired, the purified molten form may be granulated and cooled to form discrete solid particles of alkali metal nitrates.

Fiorucci, Louis C. (Hamden, CT); Gregory, Kevin M. (Woodridge, IL)

1985-05-14T23:59:59.000Z

450

Metal Aminoboranes - Energy Innovation Portal  

NLE Websites -- All DOE Office Websites (Extended Search)

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...

451

Metal-Ion-Mediated Reactions  

NLE Websites -- All DOE Office Websites (Extended Search)

Metal-Ion-Mediated Reactions 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 synthesized by the reaction of a metal precursor and a presynthesized organic ligand, it is also possible to generate the ligand in situ from an easily available organic compound. This approach allows the reactivity of the metal ion to activate a proligand, transforming it through an in situ reaction, sometimes providing coordination compounds with ligands not accessible by conventional organic synthesis. The intense interest in the reactivity of coordinated ligands is mainly due to the necessity of interpreting the mechanisms of homogeneous metal-catalyzed processes, in which a substrate is activated upon its coordination to one or more metal sites. A coordinated oxime group contains three active sites (C, N, O) for reactivity.

452

High Activity of Ce1-xNixO2-y for H2 Production through Ethanol Steam Reforming: Tuning Catalytic Performance through Metal-Oxide Interactions  

SciTech Connect

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.

G Zhou; L Barrio; S Agnoli; S Senanayake; J Evans; A Kubacka; M Estrella; J Hanson; A Martinez-Arias; et al.

2011-12-31T23:59:59.000Z

453

Development of a Fluxless Flip Chip Bonding Process for Optical Military Electronics  

SciTech Connect

As military electronics tend to become lighter, smaller, thinner, and lower cost, the use of flip chip technology is becoming more common place to meet system requirements, yet survive environments. This paper explores the development of an optical flip chip application and details the selection/qualification of the substrate. The selected assembly consists of a procured 1x12 Vertical Cavity Surface Emitting Laser (VCSEL) die, having 80um diameter eutectic AuSn solder bumps at 250um pitch and flip chip bonded to a .006” thick 99.6% alumina substrate with .006” diameter thru holes and metallized with 500Å WTi, under minimum 2.0-3.0?m (80-120?”) thin film deposited Au. An 8 run, 3 factor, 2 level Full Factorial Design of Experiments (DOE) was completed on procured detector arrays and procured ceramic substrates using the Suss Microtec FC150. The optimum settings for the peak temperature, peak time and final die z-height were selected using the ANOVA results and interaction plots. Additional studies were completed to qualify in-house produced substrates. An epoxy glob-top encapsulant was selected to dissipate stress on the flip chip solder joints and to enhance thermal shock performance.

Girardi, Michael

2007-11-11T23:59:59.000Z

454

Stabilization of Rocky Flats Pu-contaminated ash within chemically bonded phosphate ceramics  

Science Journals Connector (OSTI)

A feasibility study was conducted on the use of chemically bonded phosphate ceramics for stabilization of combustion residue of high transuranic (TRU) wastes. Using a matrix of magnesium potassium phosphate formed by the room-temperature reaction of MgO and KH2PO4 solution, we made waste forms that contained 5 wt% Pu to satisfy the requirements of the Waste Isolation Pilot Plant. The waste forms were ceramics whose compression strength was twice that of conventional cement grout and whose connected porosity was ?50% that of cement grout. Both surrogate and actual waste forms displayed high leaching resistance for both hazardous metals and Pu. Hydrogen generation resulting from the radiolytic decomposition of water and organic compounds present in the waste form did not appear to be a significant issue. Pu was present as PuO2 that was physically microencapsulated in the matrix. In the process, pyrophoricity was removed and leaching resistance was enhanced. The high leaching resistance was due to the very low solubility of PuO2 coupled with superior microencapsulation. As a result, the waste forms satisfied the current Safeguard Termination Limit requirement for storage of TRU combustion residues.

A.S. Wagh; R. Strain; S.Y. Jeong; D. Reed; T. Krause; D. Singh

1999-01-01T23:59:59.000Z

455

On the bonding nature of electron states for the Fe-Mo double perovskite  

SciTech Connect

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.

Carvajal, E.; Cruz-Irisson, M. [ESIME-Culhuacán, Instituto Politécnico Nacional, Av. Santa Ana 1000, C.P. 04430, México, D.F. (Mexico); Oviedo-Roa, R. [Programa de Investigación en Ingeniería Molecular, Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas Norte 152, C.P. 07730, México, D.F. (Mexico); Navarro, O. [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, A.P. 70-360, 04510, México, D.F. (Mexico)

2014-05-15T23:59:59.000Z

456

Upgrading platform using alkali metals  

DOE Patents (OSTI)

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.

Gordon, John Howard

2014-09-09T23:59:59.000Z

457

The strong reactions of Lewis-base noble-metals with vanadium and other acidic transition metals  

SciTech Connect

The noble metals often thought of as unreactive solids,react strongly with nearly 40% of the elements in the periodictable: group IIIB-VB transition metals, lanthanides, theactinides, and group IIIA-IVA non-transition metals. These strong reactions arise from increased bonding/electron transfer fromnonbonding electrons d electron pairs on the noble metal tovacant orbitals on V, etc. This effect is a generalized Lewis acid-base interaction. The partial Gibbs energy of V in the noblemetals has been measured as a function of concentration at a temperature near 1000C. Thermodynamics of the intermetallics are determined by ternary oxide equilibria, ternary carbide equilibria, and the high-temperature galvanic cell technique. These experimental methods use equilibrated solid composite mixtures in which grains of V oxides or of V carbides are interspersed with grains of V-NM(noble-metal) alloys. In equilibrium the activity of V in the oxide or the carbide equals the activity in the alloy. Consequently, the thermodynamics available in the literature for the V oxides and V carbides are reviewed. Test runs on the galvanic cell were attempted. The V oxide electrode reacts with CaF[sub 2], ThO[sub 2], YDT(0.85ThO[sub 2]-0.15YO[sub 1.5]), and LDT(0.85ThO[sub 2]- 0.15LaO[sub 1.5]) to interfere with the measured data observed toward the beginning of a galvanic cell experiment are the most accurate. The interaction of vanadium at infinite dilution in the noble-metals was determined.

Ebbinghaus, B.B.

1991-05-01T23:59:59.000Z

458

The strong reactions of Lewis-base noble-metals with vanadium and other acidic transition metals  

SciTech Connect

The noble metals often thought of as unreactive solids,react strongly with nearly 40% of the elements in the periodictable: group IIIB-VB transition metals, lanthanides, theactinides, and group IIIA-IVA non-transition metals. These strong reactions arise from increased bonding/electron transfer fromnonbonding electrons d electron pairs on the noble metal tovacant orbitals on V, etc. This effect is a generalized Lewis acid-base interaction. The partial Gibbs energy of V in the noblemetals has been measured as a function of concentration at a temperature near 1000C. Thermodynamics of the intermetallics are determined by ternary oxide equilibria, ternary carbide equilibria, and the high-temperature galvanic cell technique. These experimental methods use equilibrated solid composite mixtures in which grains of V oxides or of V carbides are interspersed with grains of V-NM(noble-metal) alloys. In equilibrium the activity of V in the oxide or the carbide equals the activity in the alloy. Consequently, the thermodynamics available in the literature for the V oxides and V carbides are reviewed. Test runs on the galvanic cell were attempted. The V oxide electrode reacts with CaF{sub 2}, ThO{sub 2}, YDT(0.85ThO{sub 2}-0.15YO{sub 1.5}), and LDT(0.85ThO{sub 2}- 0.15LaO{sub 1.5}) to interfere with the measured data observed toward the beginning of a galvanic cell experiment are the most accurate. The interaction of vanadium at infinite dilution in the noble-metals was determined.

Ebbinghaus, B.B.

1991-05-01T23:59:59.000Z

459

Inert electrode containing metal oxides, copper and noble metal  

DOE Patents (OSTI)

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.

Ray, Siba P. (Murrysville, PA); Woods, Robert W. (New Kensington, PA); Dawless, Robert K. (Monroeville, PA); Hosler, Robert B. (Sarver, PA)

2001-01-01T23:59:59.000Z

460

Inert electrode containing metal oxides, copper and noble metal  

DOE Patents (OSTI)

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.

Ray, Siba P. (Murrysville, PA); Woods, Robert W. (New Kensington, PA); Dawless, Robert K. (Monroeville, PA); Hosler, Robert B. (Sarver, PA)

2000-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


461

Integrated decontamination process for metals  

DOE Patents (OSTI)

An integrated process for decontamination of metals, particularly metals that are used in the nuclear energy industry contaminated with radioactive material. The process combines the processes of electrorefining and melt refining to purify metals that can be decontaminated using either electrorefining or melt refining processes.

Snyder, Thomas S. (Oakmont, PA); Whitlow, Graham A. (Murrysville, PA)

1991-01-01T23:59:59.000Z

462

Metal-binding polymesr as chelating agents  

E-Print Network (OSTI)

Abstract Metal chelating polymers are functional polymers that bear specified chemical groups capable of selectively binding metals. Heavy metal contamination is considered a serious problem because these metals, even at ...

Mohammadi, Zahra

2011-04-11T23:59:59.000Z

463

Observation of Metal-insulator and Metal-Metal Transitions in Hydrogen Iodide under Pressure  

Science Journals Connector (OSTI)

Hydrogen iodide has been studied up to pressures of 70 GPa at low temperatures in a diamondanvil cell. Electrical-conductivity and optical measurements have been used to observe pressure-induced phase transitions which are interpreted as follows: First a metal-insulator transition takes place in the molecular solid; with increased pressure a metal-metal molecular-to-atomic transition occurs. An additional transition due to intrinsic impurities has been observed. Implications for metallic hydrogen are discussed.

J. van Straaten and Isaac F. Silvera

1986-08-11T23:59:59.000Z

464

EIS-0306: Treatment and Management of Sodium-Bonded Spent Nuclear Fuel |  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

306: Treatment and Management of Sodium-Bonded Spent Nuclear 306: Treatment and Management of Sodium-Bonded Spent Nuclear Fuel EIS-0306: Treatment and Management of Sodium-Bonded Spent Nuclear Fuel Summary This EIS evaluates the potential environmental impacts of the proposed electrometallurgical treatment of DOE-owned sodium bonded spent nuclear fuel in the Fuel Conditioning Facility at Argonne National Laboratory-West (ANL-W). Public Comment Opportunities None available at this time. Documents Available for Download September 19, 2000 EIS-0306: Record of Decision Treatment and Management of Sodium-Bonded Spent Nuclear Fuel July 1, 2000 EIS-0306: Final Environmental Impact Statement Treatment and Management of Sodium-Bonded Spent Nuclear Fuel July 1, 1999 EIS-0306: Draft Environmental Impact Statement Treatment of Sodium-Bonded Spent Nuclear Fuel

465

FLUIDIC: Metal Air Recharged  

SciTech Connect

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.

Friesen, Cody

2014-03-07T23:59:59.000Z

466

FLUIDIC: Metal Air Recharged  

ScienceCinema (OSTI)

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.

Friesen, Cody

2014-04-02T23:59:59.000Z

467

The Bond Between CO and Cp?3U in Cp?3U(CO) involves Backbondingfrom the Cp'3U Ligand-based Orbitals of ?pi-Symmetry, where Cp' Represents a Substituted Cyclopentadienyl Ligand.  

SciTech Connect

The experimental CO stretching frequencies in the 1:1 adducts between (C5H5-nRn)3U and CO range from 1976 cm-1 in (C5H4SiMe3)3U(CO) to 1900 cm-1 in (C5HMe4)3U(CO). The origin of the large difference between the stretching frequencies in free (2143 cm-1) and coordinated CO and the large effect the substituents on the cyclopentadienyl ligands play in the difference is explored by DFT calculations with a small core effective core potential in which 32 electrons on uranium are explicitly treated. The results of these calculations, along with a NBO analysis, show that a sigma-bond is formed between CO and an empty sigma-orbital on the Cp'3U fragment composed of f sigma and d sigma parentage orbitals. The backbonding interaction, which results in lowering the CO stretching frequency, does not originate from non-bonding metal-based orbitals but from the filled ligand-based orbitals of pi-symmetry that are used for bonding in the Cp'3U fragment. This model, which is different from the backbonding model used in the d-transition metal complexes, rationalizes the large substituent effect in the 5f-metal complexes.

Maron, Laurent; Eisenstein, Odile; Andersen, Richard

2009-06-16T23:59:59.000Z

468

Apoferritin Templated Synthesis of Metal Phosphate Nanoparticle...  

NLE Websites -- All DOE Office Websites (Extended Search)

Apoferritin Templated Synthesis of Metal Phosphate Nanoparticle Labels for Electrochemical Immunoassay. Apoferritin Templated Synthesis of Metal Phosphate Nanoparticle Labels for...

469

THE COORDINATION CHEMISTRY OF METAL SURFACES  

E-Print Network (OSTI)

result 7 ' 30 u 31 in metal carbide cluster chemistry willin metal chemistry. Oxidation of the iron carbide cluster

Muetterties, Earl L.

2013-01-01T23:59:59.000Z

470

Hydrothermal alkali metal recovery process  

DOE Patents (OSTI)

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.

Wolfs, Denise Y. (Houston, TX); Clavenna, Le Roy R. (Baytown, TX); Eakman, James M. (Houston, TX); Kalina, Theodore (Morris Plains, NJ)

1980-01-01T23:59:59.000Z

471

Coated metal fiber coalescing cell  

SciTech Connect

A cell is described for coalescing oil droplets dispersed in a water emulsion including an elongated perforated tube core into which the emulsion is injected, layers of oleophilic plastic covered metal mat wound about the core through which the emulsion is forced to pass, the fibers of the metal mat being covered by oleophilic plastic such as vinyl, acrylic, polypropylene, polyethylene, polyvinyl chloride, the metal being in the form of layers of expanded metal or metal fibers, either aluminum or stainless steel. In manufacturing the cell a helix wound wire is formed around the cylindrical plastic coated metal to retain it in place and resist pressure drop of fluid flowing through the metal fibers. In addition, the preferred arrangement includes the use of an outer sleeve formed of a mat of fibrous material such as polyester fibers, acrylic fibers, modacrylic fibers and mixtures thereof.

Rutz, W.D.; Swain, R.J.

1980-12-23T23:59:59.000Z

472

Water supply and sludge metals  

SciTech Connect

Ultimate sludge disposal is one of the major tasks facing wastewater treatment facilities today. Where adequate farmland exists in proximity to the treatment facility and where sludge characteristics are suitable, land application is often the most economical method. In some cases, however, metal concentrations in the sludge either limit the site life or the application rate to the point where land application is not economical. When metals are above regulatory limits, land application may become impossible. The origin of the metals has largely been credited to industrial users and stormwater runoff and have, in fact, often represented significant sources of metals. Another potentially significant source of metals that has been frequently overlooked is the water supply system (including the distribution and home piping systems). Data from some treatment facilities suggest that the water supply system is the major source of metals and is the reason that sewage sludge metal levels are above allowable land application limits.

Brown, W.E. (Wright-Pierce Engineers, Topsham, ME (USA))

1988-04-01T23:59:59.000Z

473

Corrosion protective coating for metallic materials  

DOE Patents (OSTI)

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. 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.

Buchheit, Rudolph G. (Albuquerque, NM); Martinez, Michael A. (Albuquerque, NM)

1998-01-01T23:59:59.000Z

474

Corrosion protective coating for metallic materials  

DOE Patents (OSTI)

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.

Buchheit, R.G.; Martinez, M.A.

1998-05-26T23:59:59.000Z

475

Modulation of contact resistance between metal and graphene by controlling the graphene edge, contact area, and point defects: An ab initio study  

SciTech Connect

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.

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)

2014-05-14T23:59:59.000Z

476

Book Review of Introduction to Bonding and Hybridization Theory  

Science Journals Connector (OSTI)

Book Review of Introduction to Bonding and Hybridization Theory ... I had never really thought about this before (the standard textbook figure showing electronegativities omits the noble gases), but is it true noble gases do not have electronegativity values, or simply that textbooks have redrawn the figure from Pauling’s work, which predates the discovery of compounds with xenon? ... I plan to use these DVDs (particularly Hybridization Theory) in future classes, especially where the repeated shifting between two- and three-dimensional representations and the 360° rotations of molecules will help students immensely. ...

Scott Smidt

2010-11-03T23:59:59.000Z

477

Overlap population density as an index of bond strength  

E-Print Network (OSTI)

be eliminated. This is done by carrying out an orthogonal transformdtion on b, witn a known matrix U, viz. D = UAU' (10) Next~ M is constructed vis, the equation: M=V'D 'U (11) M transforms b to the unit matrix X: (12) Since: I ~1 MdM = U 'D PhU 'D U... on molecules of the same chemical i'amily as those under study, viz, R2-NN02, D. Thermal Decomposition of Nitramides Although estimates of the energies of bonds other than N-N, B?G. Gowcnlock, P. Jones and J. R. Majer~ Trans. Faraday Soc. ~7 23 (1981) RE...

Gallagher, Michael James

2012-06-07T23:59:59.000Z

478

Chemical bond and entanglement of electrons in the hydrogen molecule  

E-Print Network (OSTI)

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.

Nikos Iliopoulos; Andreas F. Terzis

2014-08-01T23:59:59.000Z

479

Evolution of the Surface Science of Catalysis from Single Crystals to Metal Nanoparticles under Pressure  

SciTech Connect

Vacuum studies of metal single crystal surfaces using electron and molecular beam scattering revealed that the surface atoms relocate when the surface is clean (reconstruction) and when it is covered by adsorbates (adsorbate induced restructuring). It was also discovered that atomic steps and other low coordination surface sites are active for breaking chemical bonds (H-H, O=O, C-H, C=O and C-C) with high reaction probability. Investigations at high reactant pressures using sum frequency generation (SFG)--vibrational spectroscopy and high pressure scanning tunneling microscopy (HPSTM) revealed bond breaking at low reaction probability sites on the adsorbate-covered metal surface, and the need for adsorbate mobility for continued turnover. Since most catalysts (heterogeneous, enzyme and homogeneous) are nanoparticles, colloid synthesis methods were developed to produce monodispersed metal nanoparticles in the 1-10 nm range and controlled shapes to use them as new model catalyst systems in two-dimensional thin film form or deposited in mesoporous three-dimensional oxides. Studies of reaction selectivity in multipath reactions (hydrogenation of benzene, cyclohexene and crotonaldehyde) showed that reaction selectivity depends on both nanoparticle size and shape. The oxide-metal nanoparticle interface was found to be an important catalytic site because of the hot electron flow induced by exothermic reactions like carbon monoxide oxidation.

Somorjai, Gabor A.; Park, Jeong Y.

2008-03-06T23:59:59.000Z

480

ITP Metal Casting: Implementation of Metal Casting Best Practices  

Energy.gov (U.S. Department of Energy (DOE))

The project examined cases where metal casters had implemented ITP research results and detailed the benefits they received due to that implementation.

Note: This page contains sample records for the topic "metal oxo bonds" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


481

Studies of high temperature ternary phases in mixed-metal-rich early transition metal sulfide and phosphide systems  

SciTech Connect

Investigations of ternary mixed early transition metal-rich sulfide and phosphide systems resulted in the discovery of new structures and new phases. A new series of Zr and Hf - group V transition metal - sulfur K-phases was synthesized and crystallographically characterized. When the group V transition metal was Nb or Ta, the unit cell volume was larger than any previously reported K-phase. The presence of adventitious oxygen was determined in two K-phases through a combination of neutron scattering and X-ray diffraction experiments. A compound Hf{sub 10}Ta{sub 3}S{sub 3} was found to crystallize in a new-structure type similar to the known gamma brasses. This structure is unique in that it is the only reported {open_quotes}stuffed{close_quotes} gamma-brass type structure. The metal components, Hf and Ta, are larger in size and more electropositive than the metals found in normal gamma brasses (e.g. Cu and Zn) and because of the larger metallic radii, sulfur can be incorporated into the structure where it plays an integral role in stabilizing this phase relative to others. X-ray single-crystal, X-ray powder and neutron powder refinements were performed on this structure. A new structure was found in the ternary Nb-Zr-P system which has characteristics in common with many known early transition metal-rich sulfides, selenides, and phosphides. This structure has the simplest known interconnection of the basic building blocks known for this structural class. Anomalous scattering was a powerful tool for differentiating between Zr and Nb when using Mo K{alpha} X-radiation. The compounds ZrNbP and HfNbP formed in the space group Prima with the simple Co{sub 2}Si structure which is among the most common structures found for crystalline solid materials. Solid solution compounds in the Ta-Nb-P, Ta-Zr-P, Nb-Zr-P, Hf-Nb-P, and Hf-Zr-S systems were crystallographically characterized. The structural information corroborated ideas about bonding in metal-rich compounds.

Marking, G.A.

1994-01-04T23:59:59.000Z

482

Inorganic concepts relevant to metal binding, activity, and toxicity in a biological system  

SciTech Connect

The purpose of this paper is to review selected physical and inorganic concepts and factors which might be important in assessing and/or understanding the fact and disposition of a metal system in a biological environment. Hopefully, such inquiries will ultimately permit us to understand, rationalize, and predict differences and trends in biological effects as a function of the basic nature of a metal system and, in optimal cases, serve as input to a system of guidelines for the notion of Chemical Dosimetry.'' The plan of this paper is to first review, in general terms, the basic principles of the Crystal Field Theory (CFT), a unifying theory of bonding in metal complexes. This will provide the necessary theoretical background for the subsequent discussion of selected concepts and factors. 21 refs., 7 figs., 6 tabs.

Hoeschele, J.D. (Warner-Lambert Co., Ann Arbor, MI (USA). Parke-Davis Pharmaceutical Research Div.); Turner, J.E.; England, M.W. (Oak Ridge National Lab., TN (USA))

1990-01-01T23:59:59.000Z

483

International Recycling of LLW Metals  

SciTech Connect

Melting of radioactive scrap metal has been successfully practiced for more than 15 years, with approximately 60,000 tons of steel being processed into beneficial reuse applications. This process has converted radioactive scrap metal at a licensed facility into useful products such as shield blocks, security barriers and shield containers. These products are used within the nuclear industry, such as nuclear power plants, waste disposal facilities and high-energy physics research facilities. Recycling provides the following benefits by comparison with direct disposal: - Preserving metal resources. - Conserving valuable Low Level Waste (LLW) disposal site resources, thereby extending disposal site life. - Reducing the cost of metal products to end users by using materials less expensive than virgin metals. This paper outlines international metal recycling practices implemented at EnergySolutions' Bear Creek Facility in Oak Ridge, Tennessee. (authors)

Eshleman, T.; Jansen, J. [EnergySolutions (United States); Shinya, Sawada [KEK - High Energy Accelerator Research Organization (Japan)

2008-07-01T23:59:59.000Z

484

Metal to ceramic sealed joint  

DOE Patents (OSTI)

A metal to ceramic sealed joint which can withstand wide variations in temperature and maintain a good seal is provided for use in a device adapted to withstand thermal cycling from about 20 to about 1000 degrees C. The sealed joint includes a metal member, a ceramic member having an end portion, and an active metal braze forming a joint to seal the metal member to the ceramic member. The joint is positioned remote from the end portion of the ceramic member to avoid stresses at the ends or edges of the ceramic member. The sealed joint is particularly suited for use to form sealed metal to ceramic joints in a thermoelectric generator such as a sodium heat engine where a solid ceramic electrolyte is joined to metal parts in the system.

Lasecki, John V. (Livonia, MI); Novak, Robert F. (Farmington Hills, MI); McBride, James R. (Ypsilanti, MI)

1991-01-01T23:59:59.000Z

485

Metal to ceramic sealed joint  

DOE Patents (OSTI)

A metal to ceramic sealed joint which can withstand wide variations in temperature and maintain a good seal is provided for use in a device adapted to withstand thermal cycling from about 20 to about 1000 degrees C. The sealed joint includes a metal member, a ceramic member having an end portion, and an active metal braze forming a joint to seal the metal member to the ceramic member. The joint is positioned remote from the end portion of the ceramic member to avoid stresses at the ends or edges of the ceramic member. The sealed joint is particularly suited for use to form sealed metal to ceramic joints in a thermoelectric generator such as a sodium heat engine where a solid ceramic electrolyte is joined to metal parts in the system. 11 figures.

Lasecki, J.V.; Novak, R.F.; McBride, J.R.

1991-08-27T23:59:59.000Z

486

ITP Metal Casting: A Vision for the U.S. Metal Casting Industry...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

mcvision.pdf More Documents & Publications ITP Metal Casting: Metalcasting Industry Technology Roadmap ITP Metal Casting: Implementation of Metal Casting Best Practices ITP...

487

Late transition metal bimetallics for photocatalytic hydrogen production, M-X and C-H bond activation  

E-Print Network (OSTI)

Broadly defined this thesis has focused on the design and study of molecular catalysts that engender multi-electron reactions and photoreactions on small molecule substrates relevant to solar energy conversion. Specifically ...

Esswein, Arthur J

2007-01-01T23:59:59.000Z

488

Metal-Catalyzed Carbon-Carbon Bond Forming Reactions for the Synthesis of Significant Chiral Building Blocks  

E-Print Network (OSTI)

................................................... 40 1.3.2 Acceleration of the MBH Reaction............................. 41 1.3.3 NMR Studies of Complex TMEDA?MgI2 .................. 44 1.3.4 Enantioselective MBH Reaction ................................. 46 1.3.5 Synthesis... AND OUTLOOK.................................................. 156 REFERENCES...................................................................................................... 160 APPENDIX A 1H NMR AND 13C NMR SPECTRA...

Bugarin Cervantes, Alejandro

2011-08-08T23:59:59.000Z

489

Metal-ceramic joint assembly  

DOE Patents (OSTI)

A metal-ceramic joint assembly in which a brazing alloy is situated between metallic and ceramic members. The metallic member is either an aluminum-containing stainless steel, a high chromium-content ferritic stainless steel or an iron nickel alloy with a corrosion protection coating. The brazing alloy, in turn, is either an Au-based or Ni-based alloy with a brazing temperature in the range of 9500 to 1200.degree. C.

Li, Jian (New Milford, CT)

2002-01-01T23:59:59.000Z

490

NREL-Low-Cost Financing with Clean Renewable Energy Bonds Webinar | Open  

Open Energy Info (EERE)

NREL-Low-Cost Financing with Clean Renewable Energy Bonds Webinar NREL-Low-Cost Financing with Clean Renewable Energy Bonds Webinar Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Low-Cost Financing with Clean Renewable Energy Bonds Agency/Company /Organization: National Renewable Energy Laboratory Partner: United States Department of Energy Sector: Energy Topics: Finance Resource Type: Webinar, Training materials, Lessons learned/best practices Website: www.nrel.gov/applying_technologies/state_local_activities/webinar_2009 Low-Cost Financing with Clean Renewable Energy Bonds Screenshot References: Low-Cost Financing with Clean Renewable Energy Bonds[1] Logo: Low-Cost Financing with Clean Renewable Energy Bonds Sponsored by the U.S. Department of Energy Technical Assistance Project for state and local officials, this Webinar described the elements of clean

491

Dynamics of Weak, Bifurcated and Strong Hydrogen Bonds in Lithium Nitrate Trihydrate  

SciTech Connect

The properties of three distinct types of hydrogen bonds, namely a weak, a bifurcated and a strong one, all present in/the LiNO3 (HDO)(D2O)2 hydrate lattice unit cell are studied using steady-state and time-resolved spectroscopy. The lifetimes of the OH stretching vibrations for the three individual bonds are 2.2 ps (weak), 1.7 ps (bifurcated), and 1.2 ps (strong), respectively. For the first time the properties of bifurcated H bonds can thus be unambiguously directly compared to those of weak and strong H bonds in the same system. The values of their OH stretching vibration lifetime, anharmonicity, red shift and bond strength lie between those for the strong and weak H bonds. The experimentally observed inhomogeneous broadening of their spectral signature is attributed to the coupling with a low frequency intermolecular wagging vibration/

Werhahn, Jasper C.; Pandelov, S.; Xantheas, Sotiris S.; Iglev, H.

2011-07-07T23:59:59.000Z

492

Method for preparing porous metal hydride compacts  

DOE Patents (OSTI)

A method for preparing porous metallic-matrix hydride compacts which can be repeatedly hydrided and dehydrided without disintegration. A mixture of a finely divided metal hydride and a finely divided matrix metal is contacted with a poison which prevents the metal hydride from dehydriding at room temperature and atmospheric pressure. The mixture of matrix metal and poisoned metal hydride is then compacted under pressure at room temperature to form porous metallic-matrix hydride compacts.

Ron, M.; Gruen, D.M.; Mendelsohn, M.H.; Sheft, I.

1980-01-21T23:59:59.000Z

493

Clean Metal Casting  

SciTech Connect

The objective of this project is to develop a technology for clean metal processing that is capable of consistently providing a metal cleanliness level that is fit for a given application. The program has five tasks: Development of melt cleanliness assessment technology, development of melt contamination avoidance technology, development of high temperature phase separation technology, establishment of a correlation between the level of melt cleanliness and as cast mechanical properties, and transfer of technology to the industrial sector. Within the context of the first task, WPI has developed a standardized Reduced Pressure Test that has been endorsed by AFS as a recommended practice. In addition, within the context of task1, WPI has developed a melt cleanliness sensor based on the principles of electromagnetic separation. An industrial partner is commercializing the sensor. Within the context of the second task, WPI has developed environmentally friendly fluxes that do not contain fluorine. Within the context of the third task, WPI modeled the process of rotary degassing and verified the model predictions with experimental data. This model may be used to optimize the performance of industrial rotary degassers. Within the context of the fourth task, WPI has correlated the level of melt cleanliness at various foundries, including a sand casting foundry, a permanent mold casting foundry, and a die casting foundry, to the casting process and the resultant mechanical properties. This is useful in tailoring the melt cleansing operations at foundries to the particular casting process and the desired properties of cast components.

Makhlouf M. Makhlouf; Diran Apelian

2002-02-05T23:59:59.000Z

494

``Towards Strange Metallic Holography'  

SciTech Connect

We initiate a holographic model building approach to 'strange metallic' phenomenology. Our model couples a neutral Lifshitz-invariant quantum critical theory, dual to a bulk gravitational background, to a finite density of gapped probe charge carriers, dually described by D-branes. In the physical regime of temperature much lower than the charge density and gap, we exhibit anomalous scalings of the temperature and frequency dependent conductivity. Choosing the dynamical critical exponent z appropriately we can match the non-Fermi liquid scalings, such as linear resistivity, observed in strange metal regimes. As part of our investigation we outline three distinct string theory realizations of Lifshitz geometries: from F theory, from polarized branes, and from a gravitating charged Fermi gas. We also identify general features of renormalization group flow in Lifshitz theories, such as the appearance of relevant charge-charge interactions when z {ge} 2. We outline a program to extend this model building approach to other anomalous observables of interest such as the Hall conductivity.

Hartnoll, Sean A.; /Harvard U., Phys. Dept. /Santa Barbara, KITP /UC, Santa Barbara; Polchinski, Joseph; Silverstein, Eva; /Santa Barbara, KITP /UC, Santa Barbara; Tong, David; /Cambridge U., DAMTP /Santa Barbara, KITP /UC, Santa Barbara

2010-08-26T23:59:59.000Z

495

Knowledge-based model of hydrogen-bonding propensity in organic crystals  

Science Journals Connector (OSTI)

A new method is presented to predict which donors and acceptors form hydrogen bonds in a crystal structure, based on the statistical analysis of hydrogen bonds in the Cambridge Structural Database. The approach has potential application in identifying both likely and unusual hydrogen bonding, which can help to rationalize stable and metastable crystalline forms, of relevance to the drug development process in the pharmaceutical industry.

Galek, P.T.A.

2007-09-14T23:59:59.000Z

496

Three Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and Transition State Analogues  

SciTech Connect

Enzymes and their mimics use hydrogen bonds to catalyze chemical transformations. Small molecule transition state analogs of oxyanion holes are characterized by gas phase IR and photoelectron spectroscopy and their binding constants in acetonitrile. As a result, a new class of hydrogen bond catalysts is proposed (OH donors that can contribute three hydrogen bonds to a single functional group) and demonstrated in a Friedel-Crafts reaction.

Beletskiy, Evgeny V.; Schmidt, Jacob C.; Wang, Xue B.; Kass, Steven R.

2012-11-14T23:59:59.000Z

497

A CH O Hydrogen Bond Stabilized Polypeptide Chain Reversal Motif at the C Terminus of Helices  

E-Print Network (OSTI)

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 þ 3. In as many

Babu, M. Madan

498

Structure, adhesion, and stability of metal/oxide and oxide/oxide interfaces  

SciTech Connect

Studies of structural, electronic, and chemical properties of metal/oxide and oxide/oxide interfaces were performed on well-defined interfaces that created by depositing ultra-thin potassium and aluminum films and their oxides onto single crystal TiO[sub 2] and NiO surfaces. Work focused on determining the structure, growth mechanisms, and morphologies of metal and oxide films as they are deposited an single crystal oxide surfaces using RHEED and atomic force microscopy probing electronic structure, bonding and chemical interactions at the interfaces using x-ray and uv photoelectron spectroscopies (XPS, UPS) and Auger electron spectroscopy (AES), and understanding factors affecting stability and reactivity of the interface regions including the role of defects and impurities. Results indicate that kinetic effects have an important influence on interface structure and composition, and they also show that defects in the oxide substrate induce new electronic states at the interface which play a major role in cation-anion bonding and interface interactions. The results establish a link between electronic and chemical bonding properties and the interface structure and morphology, which is required to successfully manipulate the interfacial properties of advanced ceramic materials.

Lad, R.J.

1992-11-01T23:59:59.000Z

499

Seleno groups control the energy-level alignment between conjugated organic molecules and metals  

SciTech Connect

The charge injection from metallic electrodes into hole transporting layers of organic devices often suffers from deviations from vacuum-level alignment at the interface. Even for weakly interacting cases, Pauli repulsion causes an interface dipole between the metal and conjugated organic molecules (COMs) (so called “push-back” or “cushion” effect), which leads notoriously to an increase of the hole injection barrier. On the other hand, for chalcogenol self assembled monolayers (SAMs) on metal surfaces, chemisorption via the formation of chalcogen-metal bonds is commonly observed. In these cases, the energy-level alignment is governed by chalcogen-derived interface states in the vicinity of the metal Fermi-level. In this work, we present X-ray and ultraviolet photoelectron spectroscopy data that demonstrate that the interfacial energy-level alignment mechanism found for chalcogenol SAMs also applies to seleno-functionalized COMs. This can be exploited to mitigate the push-back effect at metal contacts, notably also when COMs with low ionization energies are employed, permitting exceedingly low hole injection barriers, as shown here for the interfaces of tetraseleno-tetracene with Au(111), Ag(111), and Cu(111)

Niederhausen, Jens; Heimel, Georg; Wilke, Andreas; Rabe, Jürgen P. [Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany)] [Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany); Duhm, Steffen [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan) [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan); Institute of Functional Nano and Soft Materials (FUNSOM), Soochow University, Suzhou 215123 (China); Bürker, Christoph; Schreiber, Frank [Institut für Angewandte Physik, Universität Tübingen, 72076 Tübingen (Germany)] [Institut für Angewandte Physik, Universität Tübingen, 72076 Tübingen (Germany); Xin, Qian [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan) [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan); School of Physics, Shandong University, 27 Shanda Nanlu, Jinan 250100 (China); Vollmer, Antje [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, BESSY II, 12489 Berlin (Germany)] [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, BESSY II, 12489 Berlin (Germany); Kera, Satoshi; Ueno, Nobuo [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan)] [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan); Koch, Norbert [Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany) [Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany); Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, BESSY II, 12489 Berlin (Germany)

2014-01-07T23:59:59.000Z

500

E-Print Network 3.0 - anisotropic bond model Sample Search Results  

NLE Websites -- All DOE Office Websites (Extended Search)

in Summary: of the combined bonds. In terms FIG. 7: Phase boundary surface for the Ising model on the d 3 fully anisotropic... anisotropic systems are introduced. These...