National Library of Energy BETA

Sample records for metallic element atomic

  1. Metal atom oxidation laser

    DOE Patents [OSTI]

    Jensen, R.J.; Rice, W.W.; Beattie, W.H.

    1975-10-28

    A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides. (auth)

  2. Metal atom oxidation laser

    DOE Patents [OSTI]

    Jensen, R.J.; Rice, W.W.; Beattie, W.H.

    1975-10-28

    A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides.

  3. Metal atomization spray nozzle

    DOE Patents [OSTI]

    Huxford, Theodore J.

    1993-01-01

    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.

  4. Metal atomization spray nozzle

    DOE Patents [OSTI]

    Huxford, T.J.

    1993-11-16

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

  5. The Common Elements of Atomic and Hadronic Physics (Conference...

    Office of Scientific and Technical Information (OSTI)

    The Common Elements of Atomic and Hadronic Physics Citation Details In-Document Search Title: The Common Elements of Atomic and Hadronic Physics Authors: Brodsky, Stanley J. ;...

  6. Atomic Layer Deposition of Metal Sulfide Materials | Argonne...

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

    Atomic Layer Deposition of Metal Sulfide Materials Title Atomic Layer Deposition of Metal Sulfide Materials Publication Type Journal Article Year of Publication 2015 Authors...

  7. Calculation of binary phase diagrams between the actinide elements, rare earth elements, and transition metal elements

    SciTech Connect (OSTI)

    Selle, J E

    1992-06-26

    Attempts were made to apply the Kaufman method of calculating binary phase diagrams to the calculation of binary phase diagrams between the rare earths, actinides, and the refractory transition metals. Difficulties were encountered in applying the method to the rare earths and actinides, and modifications were necessary to provide accurate representation of known diagrams. To calculate the interaction parameters for rare earth-rare earth diagrams, it was necessary to use the atomic volumes for each of the phases: liquid, body-centered cubic, hexagonal close-packed, and face-centered cubic. Determination of the atomic volumes of each of these phases for each element is discussed in detail. In some cases, empirical means were necessary. Results are presented on the calculation of rare earth-rare earth, rare earth-actinide, and actinide-actinide diagrams. For rare earth-refractory transition metal diagrams and actinide-refractory transition metal diagrams, empirical means were required to develop values for the enthalpy of vaporization for rare earth elements and values for the constant (C) required when intermediate phases are present. Results of using the values determined for each element are presented.

  8. The New Element Americium (Atomic Number 95)

    DOE R&D Accomplishments [OSTI]

    Seaborg, G.T.; James, R.A.; Morgan, L.O.

    1948-01-00

    Several isotopes of the new element 95 have been produced and their radiations characterized. The chemical properties of this tripositive element are similar to those of the typical tripositive lanthanide rare-earth elements. Element 95 is different from the latter in the degree and rate of formation of certain compounds of the complex ion type, which makes possible the separation of element 95 from the lanthanide rare-earths. The name americium (after the Americas) and the symbol Am are suggested for the element on the basis of its position as the sixth member of the actinide rare-earth series, analogous to europium, Eu, of the lanthanide series.

  9. Radioactive Elements in the Standard Atomic Weights Table.

    SciTech Connect (OSTI)

    Holden,N.E.

    2007-08-04

    In the 1949 Report of the Atomic Weights Commission, a series of new elements were added to the Atomic Weights Table. Since these elements had been produced in the laboratory and were not discovered in nature, the atomic weight value of these artificial products would depend upon the production method. Since atomic weight is a property of an element as it occurs in nature, it would be incorrect to assign an atomic weight value to that element. As a result of that discussion, the Commission decided to provide only the mass number of the most stable (or longest-lived) known isotope as the number to be associated with these entries in the Atomic Weights Table. As a function of time, the mass number associated with various elements has changed as longer-lived isotopes of a particular element has been found in nature, or as improved half-life values of an element's isotopes might cause a shift in the longest-lived isotope from one mass to another. In the 1957 Report of the Atomic Weights Commission, it was decided to discontinue the listing of the mass number in the Atomic Weights Table on the grounds that the kind of information supplied by the mass number is inconsistent with the primary purpose of the Table, i.e., to provide accurate values of 'these constants' for use in various chemical calculations. In addition to the Table of Atomic Weights, the Commission included an auxiliary Table of Radioactive Elements for the first time, where the entry would be the isotope of that element which was the most stable, i.e., the one with the longest known half-life. In their 1973 Report, the Commission noted that the users of the main Table of Atomic Weights were dissatisfied with the omission of values for some elements in that Table and it was decided to reintroduce the mass number for the radioactive elements into the main Table. In their 1983 Report, the Commission decided that radioactive elements were considered to lack a characteristic terrestrial isotopic composition

  10. RADIOACTIVE ELEMENTS IN THE STANDARD ATOMIC WEIGHTS TABLE

    SciTech Connect (OSTI)

    Holden, N.E.; Holden, N.; Holden,N.E.

    2011-07-27

    In the 1949 Report of the Atomic Weights Commission, a series of new elements were added to the Atomic Weights Table. Since these elements had been produced in the laboratory and were not discovered in nature, the atomic weight value of these artificial products would depend upon the production method. Since atomic weight is a property of an element as it occurs in nature, it would be incorrect to assign an atomic weight value to that element. As a result of that discussion, the Commission decided to provide only the mass number of the most stable (or longest-lived) known isotope as the number to be associated with these entries in the Atomic Weights Table. As a function of time, the mass number associated with various elements has changed as longer-lived isotopes of a particular element has been found in nature, or as improved half-life values of an element's isotopes might cause a shift in the longest-lived isotope from one mass to another. In the 1957 Report of the Atomic Weights Commission, it was decided to discontinue the listing of the mass number in the Atomic Weights Table on the grounds that the kind of information supplied by the mass number is inconsistent with the primary purpose of the Table, i.e., to provide accurate values of 'these constants' for use in various chemical calculations. In addition to the Table of Atomic Weights, the Commission included an auxiliary Table of Radioactive Elements for the first time, where the entry would be the isotope of that element which was the most stable, i.e., the one with the longest known half-life. In their 1973 Report, the Commission noted that the users of the main Table of Atomic Weights were dissatisfied with the omission of values for some elements in that Table and it was decided to reintroduce the mass number for the radioactive elements into the main Table. In their 1983 Report, the Commission decided that radioactive elements were considered to lack a characteristic terrestrial isotopic composition

  11. Ni/metal hydride secondary element

    DOE Patents [OSTI]

    Bauerlein, Peter

    2005-04-19

    A Ni/metal hydride secondary element having a positive nickel hydroxide electrode, a negative electrode having a hydrogen storage alloy, and an alkaline electrolyte, the positive electrode, provided with a three-dimensional metallic conductive structure, also contains an aluminum compound which is soluble in the electrolyte, in addition to nickel hydroxide and cobalt oxide. The aluminum compound is aluminum hydroxide and/or aluminum oxide, and the mass of the aluminum compound which is present in the positive bulk material mixture is 0.1 to 2% by weight relative to the mass of the nickel hydroxide which is present. In combination with aluminum hydroxide or aluminum oxide, the positive electrode further contains lanthanoid oxidic compounds Y.sub.2 O.sub.3, La.sub.2 O.sub.3 and Ca(OH).sub.2, as well as mixtures of these compounds.

  12. Atomizing apparatus for making polymer and metal powders and whiskers

    DOE Patents [OSTI]

    Otaigbe, Joshua U.; McAvoy, Jon M.; Anderson, Iver E.; Ting, Jason; Mi, Jia; Terpstra, Robert

    2003-03-18

    Method for making polymer particulates, such as spherical powder and whiskers, by melting a polymer material under conditions to avoid thermal degradation of the polymer material, atomizing the melt using gas jet means in a manner to form atomized droplets, and cooling the droplets to form polymer particulates, which are collected for further processing. Atomization parameters can be controlled to produce polymer particulates with controlled particle shape, particle size, and particle size distribution. For example, atomization parameters can be controlled to produce spherical polymer powders, polymer whiskers, and combinations of spherical powders and whiskers. Atomizing apparatus also is provided for atoomizing polymer and metallic materials.

  13. Heaviest Nuclei: New Element with Atomic Number 117

    ScienceCinema (OSTI)

    Oganessian, Yuri [Flerov Laboratory of Nuclear Reactions, Russia and Joint Institute for Nuclear Research

    2010-09-01

    One of the fundamental outcomes of the nuclear shell model is the prediction of the 'stability islands' in the domain of the hypothetical super heavy elements. The talk is devoted to the experimental verification of these predictions - the synthesis and study of both the decay and chemical properties of the super heavy elements. The discovery of a new chemical element with atomic number Z=117 is reported. The isotopes 293117 and 294117 were produced in fusion reactions between 48Ca and 249Bk. Decay chains involving 11 new nuclei were identified by means of the Dubna gas-filled recoil separator. The measured decay properties show a strong rise of stability for heavier isotopes with Z =111, validating the concept of the long sought island of enhanced stability for heaviest nuclei.

  14. Atomic and electronic structure of Ni-Nb metallic glasses

    SciTech Connect (OSTI)

    Yuan, C. C.; Yang, Y.-F. Xi, X. K.

    2013-12-07

    Solid state {sup 93}Nb nuclear magnetic resonance spectroscopy has been employed to investigate the atomic and electronic structures in Ni-Nb based metallic glass (MG) model system. {sup 93}Nb nuclear magnetic resonance (NMR) isotropic metallic shift of Ni{sub 60}Nb{sub 35}Sn{sub 5} has been found to be ∼100 ppm lower than that of Ni{sub 60}Nb{sub 35}Zr{sub 5} MG, which is correlated with their intrinsic fracture toughness. The evolution of {sup 93}Nb NMR isotropic metallic shifts upon alloying is clearly an electronic origin, as revealed by both local hyperfine fields analysis and first-principle computations. This preliminary result indicates that, in addition to geometrical considerations, atomic form factors should be taken into a description of atomic structures for better understanding the mechanical behaviors of MGs.

  15. Induce magnetism into silicene by embedding transition-metal atoms

    SciTech Connect (OSTI)

    Sun, Xiaotian; Wang, Lu E-mail: yyli@suda.edu.cn; Lin, Haiping; Hou, Tingjun; Li, Youyong E-mail: yyli@suda.edu.cn

    2015-06-01

    Embedding transition-metal (TM) atoms into nonmagnetic nanomaterials is an efficient way to induce magnetism. Using first-principles calculations, we systematically investigated the structural stability and magnetic properties of TM atoms from Sc to Zn embedded into silicene with single vacancy (SV) and double vacancies (DV). The binding energies for different TM atoms correlate with the TM d-shell electrons. Sc, Ti, and Co show the largest binding energies of as high as 6 eV, while Zn has the lowest binding energy of about 2 eV. The magnetic moment of silicene can be modulated by embedding TM atoms from V to Co, which mainly comes from the 3d orbitals of TM along with partly contributions from the neighboring Si atoms. Fe atom on SV and Mn atom on DV have the largest magnetic moment of more than 3 μB. In addition, we find that doping of N or C atoms on the vacancy site could greatly enhance the magnetism of the systems. Our results provide a promising approach to design silicene-based nanoelectronics and spintronics device.

  16. Atomic picture of elastic deformation in a metallic glass

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

    Wang, X. D.; Aryal, S.; Zhong, C.; Ching, W. Y.; Sheng, H. W.; Zhang, H.; Zhang, D. X.; Cao, Q. P.; Jiang, J. Z.

    2015-03-17

    The tensile behavior of a Ni₆₀Nb₄₀ metallic glass (MG) has been studied by using ab initio density functional theory (DFT) calculation with a large cell containing 1024 atoms (614 Ni and 410 Nb). We provide insight into how a super elastic limit can be achieved in a MG. Spatially inhomogeneous responses of single atoms and also major polyhedra are found to change greatly with increasing external stress when the strain is over 2%, causing the intrinsically viscoelastic behavior. We uncover the origin of the observed super elastic strain limit under tension (including linear and viscoelastic strains) in small-sized MG samples,more » mainly caused by inhomogeneous distribution of excess volumes in the form of newly formed subatomic cavities.« less

  17. Atomic picture of elastic deformation in a metallic glass

    SciTech Connect (OSTI)

    Wang, X. D.; Aryal, S.; Zhong, C.; Ching, W. Y.; Sheng, H. W.; Zhang, H.; Zhang, D. X.; Cao, Q. P.; Jiang, J. Z.

    2015-03-17

    The tensile behavior of a Ni??Nb?? metallic glass (MG) has been studied by using ab initio density functional theory (DFT) calculation with a large cell containing 1024 atoms (614 Ni and 410 Nb). We provide insight into how a super elastic limit can be achieved in a MG. Spatially inhomogeneous responses of single atoms and also major polyhedra are found to change greatly with increasing external stress when the strain is over 2%, causing the intrinsically viscoelastic behavior. We uncover the origin of the observed super elastic strain limit under tension (including linear and viscoelastic strains) in small-sized MG samples, mainly caused by inhomogeneous distribution of excess volumes in the form of newly formed subatomic cavities.

  18. The Common Elements of Atomic and Hadronic Physics

    SciTech Connect (OSTI)

    Brodsky, Stanley J.

    2015-02-26

    Atomic physics and hadronic physics are both governed by the Yang Mills gauge theory Lagrangian; in fact, Abelian quantum electrodynamics can be regarded as the zero-color limit of quantum chromodynamics. I review a number of areas where the techniques of atomic physics can provide important insight into hadronic eigenstates in QCD. For example, the Dirac-Coulomb equation, which predicts the spectroscopy and structure of hydrogenic atoms, has an analog in hadron physics in the form of frame-independent light-front relativistic equations of motion consistent with light-front holography which give a remarkable first approximation to the spectroscopy, dynamics, and structure of light hadrons. The production of antihydrogen in flight can provide important insight into the dynamics of hadron production in QCD at the amplitude level. The renormalization scale for the running coupling is unambiguously set in QED; an analogous procedure sets the renormalization scales in QCD, leading to scheme-independent scale-fixed predictions. Conversely, many techniques which have been developed for hadron physics, such as scaling laws, evolution equations, the quark-interchange process and light-front quantization have important applicants for atomic physics and photon science, especially in the relativistic domain.

  19. METHOD AND APPARATUS FOR TESTING THE PRESENCE OF SPECIFIC ATOMIC ELEMENTS IN A SUBSTANCE

    DOE Patents [OSTI]

    Putman, J.L.

    1960-01-26

    Detection of specific atomic elements in a substance and particularly the applicability to well logging are discussed. The principal novelty resides in the determination of several of the auxiliary energy peaks in addition to the main energy peak of the gamma-ray energy spectrum of a substance and comparison of such peaks to the spectrum of the specific atomic element being tested for. thus resulting in identification of same. The invention facilitates the identification of specific elements even when in the presence of other elements having similar gamma energy spectra as to the main energy peaks.

  20. Method for detection of antibodies for metallic elements

    DOE Patents [OSTI]

    Barrick, Charles W.; Clarke, Sara M.; Nordin, Carl W.

    1993-11-30

    An apparatus and method for detecting antibodies specific to non-protein antigens. The apparatus is an immunological plate containing a plurality of plastic projections coated with a non-protein material. Assays utilizing the plate are capable of stabilizing the non-protein antigens with detection levels for antibodies specific to the antigens on a nanogram level. A screening assay with the apparatus allows for early detection of exposure to non-protein materials. Specifically metallic elements are detected.

  1. Mapping Metals Incorporation of a Single Catalyst Particle Using Element

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

    Specific X-ray Nanotomography | Stanford Synchrotron Radiation Lightsource Mapping Metals Incorporation of a Single Catalyst Particle Using Element Specific X-ray Nanotomography Tuesday, March 31, 2015 Fluid catalytic cracking (FCC) is the refining process for converting large and/or heavy molecules of oil feedstock into smaller and lighter hydrocarbons, such as gasoline. The workhorse of the FCC process is a tiny catalyst particle of 50-150 µm diameter that consists of a complex mixture of

  2. Method for detection of antibodies for metallic elements

    DOE Patents [OSTI]

    Barrick, C.W.; Clarke, S.M.; Nordin, C.W.

    1993-11-30

    An apparatus and method for detecting antibodies specific to non-protein antigens. The apparatus is an immunological plate containing a plurality of plastic projections coated with a non-protein material. Assays utilizing the plate are capable of stabilizing the non-protein antigens with detection levels for antibodies specific to the antigens on a nanogram level. A screening assay with the apparatus allows for early detection of exposure to non-protein materials. Specifically metallic elements are detected. 10 figures.

  3. Oligomeric rare-earth metal cluster complexes with endohedral transition metal atoms

    SciTech Connect (OSTI)

    Steinberg, Simon; Zimmermann, Sina; Brühmann, Matthias; Meyer, Eva; Rustige, Christian; Wolberg, Marike; Daub, Kathrin; Bell, Thomas; Meyer, Gerd

    2014-11-15

    Comproportionation reactions of rare-earth metal trihalides (RX{sub 3}) with the respective rare-earth metals (R) and transition metals (T) led to the formation of 22 oligomeric R cluster halides encapsulating T, in 19 cases for the first time. The structures of these compounds were determined by single-crystal X-ray diffraction and are composed of trimers ((T{sub 3}R{sub 11})X{sub 15}-type, P6{sub 3}/m), tetramers ((T{sub 4}R{sub 16})X{sub 28}(R{sub 4}) (P-43m), (T{sub 4}R{sub 16})X{sub 20} (P4{sub 2}/nnm), (T{sub 4}R{sub 16})X{sub 24}(RX{sub 3}){sub 4} (I4{sub 1}/a) and (T{sub 4}R{sub 16})X{sub 23} (C2/m) types of structure) and pentamers ((Ru{sub 5}La{sub 14}){sub 2}Br{sub 39}, Cc) of (TR{sub r}){sub n} (n=2–5) clusters. These oligomers are further enveloped by inner (X{sup i}) as well as outer (X{sup a}) halido ligands, which possess diverse functionalities and interconnect like oligomers through i–i, i–a and/or a–i bridges. The general features of the crystal structures for these new compounds are discussed and compared to literature entries as well as different structure types with oligomeric T centered R clusters. Dimers and tetramers originating from the aggregation of (TR{sub 6}) octahedra via common edges are more frequent than trimers and pentamers, in which the (TR{sub r}) clusters share common faces. - Graphical abstract: Rare earth-metal cluster complexes with endohedral transition metal atoms (TR{sub 6}) may connect via common edges or faces to form dimers, trimers, tetramers and pentamers of which the tetramers are the most prolific. Packing effects and electron counts play an important role. - Highlights: • Rare-earth metal cluster complexes encapsulate transition metal atoms. • Oligomers are built via connection of octahedral clusters via common edges or faces. • Dimers through pentamers with closed structures are known. • Tetramers including a tetrahedron of endohedral atoms are the most prolific.

  4. Forecast of Standard Atomic Weights for the Mononuclidic Elements – 2011

    SciTech Connect (OSTI)

    Holden, N.E.; Holden, N.; Holden,N.E.

    2011-07-27

    In this short report, I will provide an early warning about potential changes to the standard atomic weight values for the twenty mononuclidic and the so-called pseudo-mononuclidic ({sup 232}Th and {sup 231}Pa) chemical elements due to the estimated changes in the mass values to be published in the next Atomic Mass Tables within the next two years. There have been many new measurements of atomic masses, since the last published Atomic Mass Table. The Atomic Mass Data Center has released an unpublished version of the present status of the atomic mass values as a private communication. We can not update the Standard Atomic Weight Table at this time based on these unpublished values but we can anticipate how many changes are probably going to be expected in the next few years on the basis of the forthcoming publication of the Atomic Mass Table. I will briefly discuss the procedures that the Atomic Weights Commission used in deriving the recommended Standard Atomic Weight values and their uncertainties from the atomic mass values. I will also discuss some concern raised about a proposed change in the definition of the mole. The definition of the mole is now connected directly to the mass of a {sup 12}C isotope (which is defined as 12 exactly) and to the kilogram. A change in the definition of the mole will probably impact the mass of {sup 12}C.

  5. The atomic level journey from aqueous polyoxometalate to metal oxide

    SciTech Connect (OSTI)

    Hou, Yu; Fast, Dylan B.; Ruther, Rose E.; Amador, Jenn M.; Fullmer, Lauren B.; Decker, Shawn R.; Zakharov, Lev N.; Dolgos, Michelle R. Nyman, May

    2015-01-15

    Aqueous precursors tailored for the deposition of thin film materials are desirable for sustainable, simple, low energy production of advanced materials. Yet the simple practice of using aqueous precursors is complicated by the multitude of interactions that occur between ions and water during dehydration. Here we use lithium polyoxoniobate salts to investigate the fundamental interactions in the transition from precursor cluster to oxide film. Small-angle X-ray scattering of solutions, total X-ray scattering of intermediate gels, and morphological and structural characterization of the lithium niobate thin films reveal the atomic level transitions between these states. The studies show that (1) lithium–[H{sub 2}Nb{sub 6}O{sub 19}]{sup 6−} has drastically different solution behaviour than lithium–[Nb{sub 6}O{sub 19}]{sup 8−}, linked to the precursor salt structure (2) in both compositions, the intermediate gel preserves the polyoxoniobate clusters and show similar local order and (3) the morphology and phases of deposited films reflect the ions behaviour throughout the journey from cluster solution to metal oxide. - Graphical abstract: Aqueous lithium polyoxoniobate salts were used to prepare lithium niobate (LiNbO{sub 3}) thin films. Fundamental studies were performed to investigate the interactions in the transition from precursor cluster to the oxide film. It was found that acid–base and ion-association chemistries of the aqueous and gel systems significantly affect the key processes in this atom-level journey. - Highlights: • Lithium polyoxoniobate clusters were synthesized with control over Li:Nb ratio as precursors for LiNbO{sub 3} films. • X-ray scattering studies in solution and the solid-state revealed differences controlled by Li:Nb ratio. • Film deposition studies revealed phase, composition and morphology is controlled by Li:Nb ratio. • Cluster to film transformation was revealed using total X-ray scattering and TGA.

  6. Understanding Atom Probe Tomography of Oxide-Supported Metal Nanoparticles by Correlation with Atomic Resolution Electron Microscopy and Field Evaporation Simulation

    SciTech Connect (OSTI)

    Devaraj, Arun; Colby, Robert J.; Vurpillot, F.; Thevuthasan, Suntharampillai

    2014-03-26

    Metal-dielectric composite materials, specifically metal nanoparticles supported on or embedded in metal oxides, are widely used in catalysis. The accurate optimization of such nanostructures warrants the need for detailed three-dimensional characterization. Atom probe tomography is uniquely capable of generating sub-nanometer structural and compositional data with part-per-million mass sensitivity, but there are reconstruction artifacts for composites containing materials with strongly differing fields of evaporation, as for oxide-supported metal nanoparticles. By correlating atom probe tomography with scanning transmission electron microscopy for Au nanoparticles embedded in an MgO support, deviations from an ideal topography during evaporation are demonstrated directly, and correlated with compositional errors in the reconstructed data. Finite element simulations of the field evaporation process confirm that protruding Au nanoparticles will evolve on the tip surface, and that evaporation field variations lead to an inaccurate assessment of the local composition, effectively lowering the spatial resolution of the final reconstructed dataset. Cross-correlating the experimental data with simulations results in a more detailed understanding of local evaporation aberrations during APT analysis of metal-oxide composites, paving the way towards a more accurate three-dimensional characterization of this technologically important class of materials.

  7. SEPARATION OF PLUTONIUM FROM ELEMENTS HAVING AN ATOMIC NUMBER NOT LESS THAN 92

    DOE Patents [OSTI]

    Fitch, F.T.; Russell, D.S.

    1958-09-16

    other elements having atomic numbers nnt less than 92, It has been proposed in the past to so separate plutonium by solvent extraction iato an organic solvent using triglycoldichlcride as the organic solvent. The improvement lies in the discovery that triglycoldichloride performs far more efflciently as an extractant, wher certain second organie compounds are added to it. Mentioned as satisfactory additive compounds are benzaldehyde, saturated aliphatic aldehydes containtng at least twc carbon atoms, and certain polyhydric phenols.

  8. Atomic Layer Deposition (ALD) Preparation of Noble Metal Catalysts - Energy

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

    National Nuclear Security Administration | (NNSA) Explores Peaceful Uses of Nuclear Explosions Atomic Energy Commission Explores Peaceful Uses of Nuclear Explosions Nevada Test Site, NV As part of the Plowshare program seeking to develop peaceful uses for nuclear explosives, the Atomic Energy Commission conducts the Sedan test at the Nevada Test Site Programs | National Nuclear Security Administration | (NNSA)

    Takes Over Responsibility for all Atomic Energy Programs Atomic Energy

  9. Hydrogen atom donor compounds as contrast enhancers for black-and-white photothermographic and thermographic elements

    DOE Patents [OSTI]

    Harring, Lori S.; Simpson, Sharon M.; Sansbury, Francis H.

    1997-01-01

    Hydrogen atom donor compounds are useful as contrast enhancers when used in combination with (i) hindered phenol developers, and (ii) trityl hydrazide and/or formyl-phenyl hydrazine co-developers, to produce ultra-high contrast black-and-white photothermographic and thermographic elements. The photothermographic and thermographic elements may be used as a photomask in a process where there is a subsequent exposure of an ultraviolet or short wavelength visible radiation-sensitive imageable medium.

  10. Method and apparatus for atomization and spraying of molten metals

    DOE Patents [OSTI]

    Hobson, D.O.; Alexeff, I.; Sikka, V.K.

    1988-07-19

    A method and device for dispersing molten metal into fine particulate spray, the method comprises applying an electric current through the molten metal and simultaneously applying a magnetic field to the molten metal in a plane perpendicular to the electric current, whereby the molten metal is caused to form into droplets at an angle perpendicular to both the electric current and the magnetic field. The device comprises a structure for providing a molten metal, appropriately arranged electrodes for applying an electric current through the molten metal, and a magnet for providing a magnetic field in a plane perpendicular to the electric current. 11 figs.

  11. Method for quantitative determination and separation of trace amounts of chemical elements in the presence of large quantities of other elements having the same atomic mass

    DOE Patents [OSTI]

    Miller, C.M.; Nogar, N.S.

    1982-09-02

    Photoionization via autoionizing atomic levels combined with conventional mass spectroscopy provides a technique for quantitative analysis of trace quantities of chemical elements in the presence of much larger amounts of other elements with substantially the same atomic mass. Ytterbium samples smaller than 10 ng have been detected using an ArF* excimer laser which provides the atomic ions for a time-of-flight mass spectrometer. Elemental selectivity of greater than 5:1 with respect to lutetium impurity has been obtained. Autoionization via a single photon process permits greater photon utilization efficiency because of its greater absorption cross section than bound-free transitions, while maintaining sufficient spectroscopic structure to allow significant photoionization selectivity between different atomic species. Separation of atomic species from others of substantially the same atomic mass is also described.

  12. Electric dipole polarizabilities at imaginary frequencies for hydrogen, the alkali-metal, alkaline-earth, and noble gas atoms

    SciTech Connect (OSTI)

    Derevianko, Andrei Porsev, Sergey G. Babb, James F.

    2010-05-15

    The electric dipole polarizabilities evaluated at imaginary frequencies for hydrogen, the alkali-metal atoms, the alkaline-earth atoms, and the noble gases are tabulated along with the resulting values of the atomic static polarizabilities, the atom-surface interaction constants, and the dispersion (or van der Waals) constants for the homonuclear and the heteronuclear diatomic combinations of the atoms.

  13. Atomic-scale dynamics of a model glass-forming metallic liquid: Dynamical crossover, dynamical decoupling, and dynamical clustering

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

    Jaiswal, Abhishek; Egami, Takeshi; Zhang, Yang

    2015-04-01

    The phase behavior of multi-component metallic liquids is exceedingly complex because of the convoluted many-body and many-elemental interactions. Herein, we present systematic studies of the dynamic aspects of such a model ternary metallic liquid Cu40Zr51Al9 using molecular dynamics simulation with embedded atom method. We observed a dynamical crossover from Arrhenius to super-Arrhenius behavior in the transport properties (diffusion coefficient, relaxation times, and shear viscosity) bordered at Tx ~1300K. Unlike in many molecular and macromolecular liquids, this crossover phenomenon occurs in the equilibrium liquid state well above the melting temperature of the system (Tm ~ 900K), and the crossover temperature ismore » roughly twice of the glass-transition temperature (Tg). Below Tx, we found the elemental dynamics decoupled and the Stokes-Einstein relation broke down, indicating the onset of heterogeneous spatially correlated dynamics in the system mediated by dynamic communications among local configurational excitations. To directly characterize and visualize the correlated dynamics, we employed a non-parametric, unsupervised machine learning technique and identified dynamical clusters of atoms with similar atomic mobility. The revealed average dynamical cluster size shows an accelerated increase below Tx and mimics the trend observed in other ensemble averaged quantities that are commonly used to quantify the spatially heterogeneous dynamics such as the non-Gaussian parameter and the four-point correlation function.« less

  14. Analytic matrix elements for the two-electron atomic basis with logarithmic terms

    SciTech Connect (OSTI)

    Liverts, Evgeny Z.; Barnea, Nir

    2014-08-01

    The two-electron problem for the helium-like atoms in S-state is considered. The basis containing the integer powers of ln r, where r is a radial variable of the Fock expansion, is studied. In this basis, the analytic expressions for the matrix elements of the corresponding Hamiltonian are presented. These expressions include only elementary and special functions, what enables very fast and accurate computation of the matrix elements. The decisive contribution of the correct logarithmic terms to the behavior of the two-electron wave function in the vicinity of the triple-coalescence point is reaffirmed.

  15. Surface faceting and elemental diffusion behaviour at atomic scale for alloy nanoparticles during in situ annealing

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

    Chi, Miaofang; Wang, Chao; Lei, Yinkai; Wang, Guofeng; Li, Dongguo; More, Karren L.; Lupini, Andrew; Allard, Lawrence F.; Markovic, Nenad M.; Stamenkovic, Vojislav R.

    2015-11-18

    The catalytic performance of nanoparticles is primarily determined by the precise nature of the surface and near-surface atomic configurations, which can be tailored by post-synthesis annealing effectively and straightforwardly. Understanding the complete dynamic response of surface structure and chemistry to thermal treatments at the atomic scale is imperative for the rational design of catalyst nanoparticles. Here, by tracking the same individual Pt3Co nanoparticles during in situ annealing in a scanning transmission electron microscope, we directly discern five distinct stages of surface elemental rearrangements in Pt3Co nanoparticles at the atomic scale: initial random (alloy) elemental distribution; surface platinum-skin-layer formation; nucleation ofmore » structurally ordered domains; ordered framework development and, finally, initiation of amorphization. Furthermore, a comprehensive interplay among phase evolution, surface faceting and elemental inter-diffusion is revealed, and supported by atomistic simulations. Furthermore, this work may pave the way towards designing catalysts through post-synthesis annealing for optimized catalytic performance.« less

  16. The use of ion chromatography-dc plasma atomic emission spectrometry for the speciation of trace metals

    SciTech Connect (OSTI)

    Urasa, I.T.

    1991-09-20

    The original objects of this research program were: to interface d.c. plasma atomic emission spectrometer with an ion chromatograph; to characterize and optimize the combined systems for application in the speciation of metals in aqueous solutions; to use this system in the study of the solution chemistry of various metals; and to find ways in which the measurement sensitivity of the method can be enhanced, thereby allowing the detection of metal species at low ppb concentration levels. This approach has been used to study the chemistry of and speciate several elements in solution including: arsenic, chromium, iron, manganese, nickel phosphorus, platinum, selenium, and vanadium. During the course of this research, we have found that the solution chemistry of the elements studied and the speciation data obtained can vary considerably depending on the solution, and the chromatographic conditions employed. The speciation of chromium, iron, and vanadium was found to be highly influenced by the acidity of the sample. The element selective nature of the d.c. plasma detector allows these changes to be monitored, thereby providing quantitative information on the new moieties formed. New approaches are being developed including the use of chelating ligands as preconcentration agents for purposes of reducing further the detection limits of the elements of interest and to improve the overall element speciation scheme. New thrusts are being directed towards the employment of post-column derivatization method coupled with colorimetric measurements to detect and quantify metal species eluting from the chromatographic column. The influence of sample acidity on these investigations will be carefully evaluated. These new thrusts are described in the accompanying Project Renewal Proposal.

  17. Note: Design principles of a linear array multi-channel effusive metal-vapor atom source

    SciTech Connect (OSTI)

    Jana, B.; Majumder, A.; Thakur, K. B.; Das, A. K.

    2013-10-15

    Atomic beams can easily be produced by allowing atoms to effuse through a channel. In an earlier investigation [A. Majumder et al., Vacuum 83, 989 (2009)], we had designed, fabricated, and characterized an effusive metal-vapor source using collinear-array of multi-channel. In this note, we describe the theoretical basis of designing the source. Atom density in atomic beam has been estimated using a set of analytical expressions for long-channel operated in transparent mode. Parametric studies on aspect ratio of channel, inter-channel separation, beam width, and vertical distance from the source are carried out. They are useful in providing physical picture and optimizing design parameters.

  18. Theory of magic optical traps for Zeeman-insensitive clock transitions in alkali-metal atoms

    SciTech Connect (OSTI)

    Derevianko, Andrei

    2010-05-15

    Precision measurements and quantum-information processing with cold atoms may benefit from trapping atoms with specially engineered, 'magic' optical fields. At the magic trapping conditions, the relevant atomic properties remain immune to strong perturbations by the trapping fields. Here we develop a theoretical analysis of magic trapping for especially valuable Zeeman-insensitive clock transitions in alkali-metal atoms. The involved mechanism relies on applying a magic bias B field along a circularly polarized trapping laser field. We map out these B fields as a function of trapping laser wavelength for all commonly used alkalis. We also highlight a common error in evaluating Stark shifts of hyperfine manifolds.

  19. PROCESSING OF URANIUM-METAL-CONTAINING FUEL ELEMENTS

    DOE Patents [OSTI]

    Moore, R.H.

    1962-10-01

    A process is given for recovering uranium from neutronbombarded uranium- aluminum alloys. The alloy is dissolved in an aluminum halide--alkali metal halide mixture in which the halide is a mixture of chloride and bromide, the aluminum halide is present in about stoichiometric quantity as to uranium and fission products and the alkali metal halide in a predominant quantity; the uranium- and electropositive fission-products-containing salt phase is separated from the electronegative-containing metal phase; more aluminum halide is added to the salt phase to obtain equimolarity as to the alkali metal halide; adding an excess of aluminum metal whereby uranium metal is formed and alloyed with the excess aluminum; and separating the uranium-aluminum alloy from the fission- productscontaining salt phase. (AEC)

  20. Flow injection sample pretreatment in the determination of trace elements in waters by atomic spectrometry

    SciTech Connect (OSTI)

    Tyson, J.F.

    1995-12-31

    Flow injection (FI) techniques are a way of automating sampling pretreatment procedures with direct coupling to the instrument. For a variety of reasons, flame atomic absorption spectrometry (FAAS) would be the method of choice for the determination of trace elements in water samples were it not for some of the inherent limitations of this technique. These limitations are concerned with the various interferences that arise from matrix components and with the atom number density in the source. This together with the various noise sources sets detection limits which are not low enough for many applications. Thus many FI procedures are devised with the aim of overcoming these limitations and thus solid phase extraction (SPE) as a means of preconcentration features largely in recently published work. Results will be presented for the determination of trace elements in water samples (both fresh and saline) in which SPE procedures were used to (a) remove the potentially interfering sea-water matrix for determinations using ICP-MS and (b) preconcentrate cadmium from surface waters prior to determination by FAAS. Hydride generation methods have been applied for the determination of selenium and arsenic. In highly saline media the elevated recoveries of Se have been investigated and for the determination of As, an evaluation of the claim that the use of surfactants improves the performance of a flow based hydride generation system has critically evaluated.

  1. From deep TLS validation to ensembles of atomic models built from elemental motions

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

    Urzhumtsev, Alexandre; Afonine, Pavel V.; Van Benschoten, Andrew H.; Fraser, James S.; Adams, Paul D.

    2015-07-28

    The translation–libration–screw model first introduced by Cruickshank, Schomaker and Trueblood describes the concerted motions of atomic groups. Using TLS models can improve the agreement between calculated and experimental diffraction data. Because the T, L and S matrices describe a combination of atomic vibrations and librations, TLS models can also potentially shed light on molecular mechanisms involving correlated motions. However, this use of TLS models in mechanistic studies is hampered by the difficulties in translating the results of refinement into molecular movement or a structural ensemble. To convert the matrices into a constituent molecular movement, the matrix elements must satisfy severalmore » conditions. Refining the T, L and S matrix elements as independent parameters without taking these conditions into account may result in matrices that do not represent concerted molecular movements. Here, a mathematical framework and the computational tools to analyze TLS matrices, resulting in either explicit decomposition into descriptions of the underlying motions or a report of broken conditions, are described. The description of valid underlying motions can then be output as a structural ensemble. All methods are implemented as part of the PHENIX project.« less

  2. From deep TLS validation to ensembles of atomic models built from elemental motions

    SciTech Connect (OSTI)

    Urzhumtsev, Alexandre; Afonine, Pavel V.; Van Benschoten, Andrew H.; Fraser, James S.; Adams, Paul D.

    2015-07-28

    The translation–libration–screw model first introduced by Cruickshank, Schomaker and Trueblood describes the concerted motions of atomic groups. Using TLS models can improve the agreement between calculated and experimental diffraction data. Because the T, L and S matrices describe a combination of atomic vibrations and librations, TLS models can also potentially shed light on molecular mechanisms involving correlated motions. However, this use of TLS models in mechanistic studies is hampered by the difficulties in translating the results of refinement into molecular movement or a structural ensemble. To convert the matrices into a constituent molecular movement, the matrix elements must satisfy several conditions. Refining the T, L and S matrix elements as independent parameters without taking these conditions into account may result in matrices that do not represent concerted molecular movements. Here, a mathematical framework and the computational tools to analyze TLS matrices, resulting in either explicit decomposition into descriptions of the underlying motions or a report of broken conditions, are described. The description of valid underlying motions can then be output as a structural ensemble. All methods are implemented as part of the PHENIX project.

  3. Phase transition into the metallic state in hypothetical (without molecules) dense atomic hydrogen

    SciTech Connect (OSTI)

    Khomkin, A. L. Shumikhin, A. S.

    2013-10-15

    A simple physical model of the metal-dielectric (vapor-liquid) phase transition in hypothetical (without molecules) atomic hydrogen is proposed. The reason for such a transition is the quantum collective cohesive energy occurring due to quantum electron-electron exchange similar to the cohesive energy in the liquid-metal phase of alkali metals. It is found that the critical parameters of the transition are P{sub c} ? 41000 atm, ?{sub c} ? 0.1 g/cm{sup 3}, and T{sub c} ? 9750 K.

  4. Atomic-scale dynamics of a model glass-forming metallic liquid: Dynamical crossover, dynamical decoupling, and dynamical clustering

    SciTech Connect (OSTI)

    Jaiswal, Abhishek; Egami, Takeshi; Zhang, Yang

    2015-04-01

    The phase behavior of multi-component metallic liquids is exceedingly complex because of the convoluted many-body and many-elemental interactions. Herein, we present systematic studies of the dynamic aspects of such a model ternary metallic liquid Cu40Zr51Al9 using molecular dynamics simulation with embedded atom method. We observed a dynamical crossover from Arrhenius to super-Arrhenius behavior in the transport properties (diffusion coefficient, relaxation times, and shear viscosity) bordered at Tx ~1300K. Unlike in many molecular and macromolecular liquids, this crossover phenomenon occurs in the equilibrium liquid state well above the melting temperature of the system (Tm ~ 900K), and the crossover temperature is roughly twice of the glass-transition temperature (Tg). Below Tx, we found the elemental dynamics decoupled and the Stokes-Einstein relation broke down, indicating the onset of heterogeneous spatially correlated dynamics in the system mediated by dynamic communications among local configurational excitations. To directly characterize and visualize the correlated dynamics, we employed a non-parametric, unsupervised machine learning technique and identified dynamical clusters of atoms with similar atomic mobility. The revealed average dynamical cluster size shows an accelerated increase below Tx and mimics the trend observed in other ensemble averaged quantities that are commonly used to quantify the spatially heterogeneous dynamics such as the non-Gaussian parameter and the four-point correlation function.

  5. Hanford Atomic Metal Trades Council Gives Gifts to More Than 100 Children in Need

    Broader source: Energy.gov [DOE]

    For the fifth consecutive year, members of the Hanford Atomic Metal Trades Council’s 14 affiliates and other workers at the Hanford Site donated bicycles, helmets, toys, clothes, books, diapers, and other items to 107 children in need over the holidays.

  6. Rydberg hydrogen atom near a metallic surface: Stark regime and ionization dynamics

    SciTech Connect (OSTI)

    Inarrea, Manuel; Salas, J. Pablo; Lanchares, Victor; Pascual, Ana Isabel; Palacian, Jesus F.; Yanguas, Patricia

    2007-11-15

    We investigate the classical dynamics of a hydrogen atom near a metallic surface in the presence of a uniform electric field. To describe the atom-surface interaction we use a simple electrostatic image model. Owing to the axial symmetry of the system, the z-component of the canonical angular momentum P{sub {phi}} is an integral and the electronic dynamics is modeled by a two degrees of freedom Hamiltonian in cylindrical coordinates. The structure and evolution of the phase space as a function of the electric field strength is explored extensively by means of numerical techniques of continuation of families of periodic orbits and Poincare surfaces of section. We find that, due to the presence of the electric field, the atom is strongly polarized through two consecutive pitchfork bifurcations that strongly change the phase space structure. Finally, by means of the phase space transition state theory and the classical spectral theorem, the ionization dynamics of the atom is studied.

  7. Process and apparatus for generating elemental sulfur and re-usable metal oxide from spent metal sulfide sorbents

    DOE Patents [OSTI]

    Ayala, Raul E.; Gal, Eli

    1995-01-01

    A process and apparatus for generating elemental sulfur and re-usable metal oxide from spent metal-sulfur compound. Spent metal-sulfur compound is regenerated to re-usable metal oxide by moving a bed of spent metal-sulfur compound progressively through a single regeneration vessel having a first and second regeneration stage and a third cooling and purging stage. The regeneration is carried out and elemental sulfur is generated in the first stage by introducing a first gas of sulfur dioxide which contains oxygen at a concentration less than the stoichiometric amount required for complete oxidation of the spent metal-sulfur compound. A second gas containing sulfur dioxide and excess oxygen at a concentration sufficient for complete oxidation of the partially spent metal-sulfur compound, is introduced into the second regeneration stage. Gaseous sulfur formed in the first regeneration stage is removed prior to introducing the second gas into the second regeneration stage. An oxygen-containing gas is introduced into the third cooling and purging stage. Except for the gaseous sulfur removed from the first stage, the combined gases derived from the regeneration stages which are generally rich in sulfur dioxide and lean in oxygen, are removed from the regenerator as an off-gas and recycled as the first and second gas into the regenerator. Oxygen concentration is controlled by adding air, oxygen-enriched air or pure oxygen to the recycled off-gas.

  8. Corrosion resistant amorphous metals and methods of forming corrosion resistant amorphous metals

    DOE Patents [OSTI]

    Farmer, Joseph C.; Wong, Frank M. G.; Haslam, Jeffery J.; Yang, Nancy; Lavernia, Enrique J.; Blue, Craig A.; Graeve, Olivia A.; Bayles, Robert; Perepezko, John H.; Kaufman, Larry; Schoenung, Julie; Ajdelsztajn, Leo

    2009-11-17

    A system for coating a surface comprises providing a source of amorphous metal, providing ceramic particles, and applying the amorphous metal and the ceramic particles to the surface by a spray. The coating comprises a composite material made of amorphous metal that contains one or more of the following elements in the specified range of composition: yttrium (.gtoreq.1 atomic %), chromium (14 to 18 atomic %), molybdenum (.gtoreq.7 atomic %), tungsten (.gtoreq.1 atomic %), boron (.ltoreq.5 atomic %), or carbon (.gtoreq.4 atomic %).

  9. Corrosion resistant amorphous metals and methods of forming corrosion resistant amorphous metals

    DOE Patents [OSTI]

    Farmer, Joseph C.; Wong, Frank M.G.; Haslam, Jeffery J.; Yang, Nancy; Lavernia, Enrique J.; Blue, Craig A.; Graeve, Olivia A.; Bayles, Robert; Perepezko, John H.; Kaufman, Larry; Schoenung, Julie; Ajdelsztajn, Leo

    2014-07-15

    A system for coating a surface comprises providing a source of amorphous metal, providing ceramic particles, and applying the amorphous metal and the ceramic particles to the surface by a spray. The coating comprises a composite material made of amorphous metal that contains one or more of the following elements in the specified range of composition: yttrium (.gtoreq.1 atomic %), chromium (14 to 18 atomic %), molybdenum (.gtoreq.7 atomic %), tungsten (.gtoreq.1 atomic %), boron (.ltoreq.5 atomic %), or carbon (.gtoreq.4 atomic %).

  10. Second-Nearest-Neighbor Correlations from Connection of Atomic Packing Motifs in Metallic Glasses and Liquids

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

    Ding, Jun; Ma, Evan; Asta, Mark; Ritchie, Robert O.

    2015-11-30

    Using molecular dynamics simulations, we have studied the atomic correlations characterizing the second peak in the radial distribution function (RDF) of metallic glasses and liquids. The analysis was conducted from the perspective of different connection schemes of atomic packing motifs, based on the number of shared atoms between two linked coordination polyhedra. The results demonstrate that the cluster connections by face-sharing, specifically with three common atoms, are most favored when transitioning from the liquid to glassy state, and exhibit the stiffest elastic response during shear deformation. These properties of the connections and the resultant atomic correlations are generally the samemore » for different types of packing motifs in different alloys. Splitting of the second RDF peak was observed for the inherent structure of the equilibrium liquid, originating solely from cluster connections; this trait can then be inherited in the metallic glass formed via subsequent quenching of the parent liquid through the glass transition, in the absence of any additional type of local structural order. In conclusion, increasing ordering and cluster connection during cooling, however, may tune the position and intensity of the split peaks.« less

  11. Second-Nearest-Neighbor Correlations from Connection of Atomic Packing Motifs in Metallic Glasses and Liquids

    SciTech Connect (OSTI)

    Ding, Jun; Ma, Evan; Asta, Mark; Ritchie, Robert O.

    2015-11-30

    Using molecular dynamics simulations, we have studied the atomic correlations characterizing the second peak in the radial distribution function (RDF) of metallic glasses and liquids. The analysis was conducted from the perspective of different connection schemes of atomic packing motifs, based on the number of shared atoms between two linked coordination polyhedra. The results demonstrate that the cluster connections by face-sharing, specifically with three common atoms, are most favored when transitioning from the liquid to glassy state, and exhibit the stiffest elastic response during shear deformation. These properties of the connections and the resultant atomic correlations are generally the same for different types of packing motifs in different alloys. Splitting of the second RDF peak was observed for the inherent structure of the equilibrium liquid, originating solely from cluster connections; this trait can then be inherited in the metallic glass formed via subsequent quenching of the parent liquid through the glass transition, in the absence of any additional type of local structural order. In conclusion, increasing ordering and cluster connection during cooling, however, may tune the position and intensity of the split peaks.

  12. Understanding glass-forming ability through sluggish crystallization of atomically thin metallic glassy films

    SciTech Connect (OSTI)

    Sun, Y. T.; Cao, C. R.; Huang, K. Q.; Zhao, N. J.; Gu, L. E-mail: dzheng@iphy.ac.cn Zheng, D. N. E-mail: dzheng@iphy.ac.cn Wang, W. H. E-mail: dzheng@iphy.ac.cn

    2014-08-04

    The glass-forming ability (GFA) of an alloy, closely related to its ability to resist crystallization, is a crucial issue in condensed matter physics. So far, the studies on GFA are mostly statistical and empirical guides. Benefiting from the ultrahigh thermal stability of ultrathin metallic glassy film and high resolution spherical aberration-corrected transmission electron microscope, the crystallization of atomically thin ZrCu and its microalloyed ZrCuAl glasses with markedly different GFA was investigated at the atomic scale. We find the Zr diffusivity estimated from the density of nuclei is dramatically decreased by adding of Al, which is the major reason for the much better GFA of the ZrCuAl metallic glass.

  13. Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films

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

    Klein, C.; Vollmers, N. J.; Gerstmann, U.; Zahl, P.; Lukermann, D.; Jnawali, G.; Pfnur, H.; Sutter, P.; Tegenkamp, C.; Schmidt, W. G.; et al

    2015-05-27

    By combining scanning tunneling microscopy with density functional theory it is shown that the Bi(111) surface provides a well-defined incorporation site in the first bilayer that traps highly coordinating atoms such as transition metals (TMs) or noble metals. All deposited atoms assume exactly the same specific sevenfold coordinated subsurface interstitial site while the surface topography remains nearly unchanged. Notably, 3d TMs show a barrier-free incorporation. The observed surface modification by barrier-free subsorption helps to suppress aggregation in clusters. Thus, it allows a tuning of the electronic properties not only for the pure Bi(111) surface, but may also be observed formore » topological insulators formed by substrate-stabilized Bi bilayers.« less

  14. Probing the Kondo lattice model with alkaline-earth-metal atoms

    SciTech Connect (OSTI)

    Foss-Feig, Michael; Hermele, Michael; Rey, Ana Maria

    2010-05-15

    We study transport properties of alkaline-earth-metal atoms governed by the Kondo lattice Hamiltonian plus a harmonic confining potential, and suggest simple dynamical probes of several different regimes of the phase diagram that can be implemented with current experimental techniques. In particular, we show how Kondo physics at strong coupling, at low density, and in the heavy fermion phase is manifest in the dipole oscillations of the conduction band upon displacement of the trap center.

  15. Thermal Casimir-Polder shifts in Rydberg atoms near metallic surfaces

    SciTech Connect (OSTI)

    Crosse, J. A.; Clements, Kate; Buhmann, Stefan Y.; Scheel, Stefan; Ellingsen, Simen A.

    2010-07-15

    The Casimir-Polder (CP) potential and transition rates of a Rydberg atom above a plane metal surface at finite temperature are discussed. As an example, the CP potential and transition rates of a rubidium atom above a copper surface at 300 K are computed. Close to the surface we show that the quadrupole correction to the force is significant and increases with increasing principal quantum number n. For both the CP potential and decay rates one finds that the dominant contribution comes from the longest wavelength transition and the potential is independent of temperature. We provide explicit scaling laws for potential and decay rates as functions of atom-surface distance and principal quantum number of the initial Rydberg state.

  16. Finite element analyses of tool stresses in metal cutting processes

    SciTech Connect (OSTI)

    Kistler, B.L.

    1997-01-01

    In this report, we analytically predict and examine stresses in tool tips used in high speed orthogonal machining operations. Specifically, one analysis was compared to an existing experimental measurement of stresses in a sapphire tool tip cutting 1020 steel at slow speeds. In addition, two analyses were done of a carbide tool tip in a machining process at higher cutting speeds, in order to compare to experimental results produced as part of this study. The metal being cut was simulated using a Sandia developed damage plasticity material model, which allowed the cutting to occur analytically without prespecifying the line of cutting/failure. The latter analyses incorporated temperature effects on the tool tip. Calculated tool forces and peak stresses matched experimental data to within 20%. Stress contours generally agreed between analysis and experiment. This work could be extended to investigate/predict failures in the tool tip, which would be of great interest to machining shops in understanding how to optimize cost/retooling time.

  17. Effects of Atomic Scale Roughness at Metal/insulator Interfaces on Metal Work Function

    SciTech Connect (OSTI)

    Ling, Sanliang; Watkins, M. B.; Shlyuger, Alexander L.

    2013-09-26

    We evaluate the performance of different van der Waals (vdW) corrected density functional theory (DFT) methods in predicting the structure of perfect interfaces between the LiF(001), MgO(001), NiO(001) films on the Ag(001) surface and the resulting work function shift of Ag(001). The results demonstrate that including the van der Waals interaction is important for obtaining accurate interface structures and the metal work function shift. The work function shift results from a subtle interplay of several effects strongly affected by even small changes in the interface geometry. This makes the accuracy of theoretical methods insufficient for predicting the shift values better than within 0.2 eV. Most of the existing van der Waals corrected functionals are not particularly suited for studying metal/insulator interfaces. The lack of accurate experimental data on the interface geometries and surface rumpling of insulators hampers the calibration of existing and novel density functionals.

  18. Low-melting elemental metal or fusible alloy encapsulated polymerization initiator for delayed initiation

    DOE Patents [OSTI]

    Hermes, Robert E.

    2015-12-22

    An encapsulated composition for polymerization includes an initiator composition for initiating a polymerization reaction, and a capsule prepared from an elemental metal or fusible alloy having a melting temperature from about 20.degree. C. to about 200.degree. C. A fluid for polymerization includes the encapsulated composition and a monomer. When the capsule melts or breaks open, the initiator is released.

  19. Symmetric charge-transfer cross sections of IIIa rare-earth-metal elements

    SciTech Connect (OSTI)

    Hashida, Masaki; Sakabe, Shuji; Izawa, Yasukazu

    2011-03-15

    Symmetric charge-transfer cross sections of IIIa rare-earth-metal elements (Sc, Y, and Gd) in the impact energy range of 30 to 1000 eV were measured for the first time. The experiments were performed with a crossed-beam apparatus that featured primary ion production by photoionization with a tunable dye laser. Comparing the cross sections of IIIa rare-earth-metal elements ({sigma}{sub Sc}, {sigma}{sub Y}, and {sigma}{sub Gd}) with those of alkali metals or helium {sigma}{sub 0}, we found that {sigma}{sub 0{approx_equal}{sigma}Sc}<{sigma}{sub Y}<{sigma}{sub Gd{approx_equal}}2{sigma}{sub 0}at an impact energy of 1000 eV.

  20. The use of ion chromatography-dc plasma atomic emission spectrometry for the speciation of trace metals. Annual performance report, February 1, 1989--January 31, 1992

    SciTech Connect (OSTI)

    Urasa, I.T.

    1991-09-20

    The original objects of this research program were: to interface d.c. plasma atomic emission spectrometer with an ion chromatograph; to characterize and optimize the combined systems for application in the speciation of metals in aqueous solutions; to use this system in the study of the solution chemistry of various metals; and to find ways in which the measurement sensitivity of the method can be enhanced, thereby allowing the detection of metal species at low ppb concentration levels. This approach has been used to study the chemistry of and speciate several elements in solution including: arsenic, chromium, iron, manganese, nickel phosphorus, platinum, selenium, and vanadium. During the course of this research, we have found that the solution chemistry of the elements studied and the speciation data obtained can vary considerably depending on the solution, and the chromatographic conditions employed. The speciation of chromium, iron, and vanadium was found to be highly influenced by the acidity of the sample. The element selective nature of the d.c. plasma detector allows these changes to be monitored, thereby providing quantitative information on the new moieties formed. New approaches are being developed including the use of chelating ligands as preconcentration agents for purposes of reducing further the detection limits of the elements of interest and to improve the overall element speciation scheme. New thrusts are being directed towards the employment of post-column derivatization method coupled with colorimetric measurements to detect and quantify metal species eluting from the chromatographic column. The influence of sample acidity on these investigations will be carefully evaluated. These new thrusts are described in the accompanying Project Renewal Proposal.

  1. Rare earth elements and critical metal content of extracted landfilled material and potential recovery opportunities

    SciTech Connect (OSTI)

    Gutiérrez-Gutiérrez, Silvia C.; Coulon, Frédéric; Jiang, Ying; Wagland, Stuart

    2015-08-15

    Highlights: • Samples from multiple core drills were obtained from 4× landfill sites in the UK. • Each sample analysed for rare earth elements, critical metals and valuable metals. • Two stage microwave digestion method ensuring high yield. • High quantities of copper and aluminium were observed in the soil layers of landfill. • Across 4× landfills aluminium and copper present has a value of around $400 million. - Abstract: Rare earth elements (REEs), Platinum group metals (PGMs) and other critical metals currently attract significant interest due to the high risks of supply shortage and substantial impact on the economy. Their uses in many applications have made them present in municipal solid waste (MSW) and in commercial and industrial waste (C&I), since several industrial processes produce by-products with high content of these metals. With over 4000 landfills in the UK alone, the aim of this study was to assess the existence of these critical metals within landfills. Samples collected from four closed landfills in UK were subjected to a two-step acid digestion to extract 27 metals of interest. Concentrations across the four landfill sites were 58 ± 6 mg kg{sup −1} for REEs comprising 44 ± 8 mg kg{sup −1} for light REEs, 11 ± 2 mg kg{sup −1} for heavy REEs and 3 ± 1 mg kg{sup −1} for Scandium (Sc) and 3 ± 1.0 mg kg{sup −1} of PGMs. Compared to the typical concentration in ores, these concentrations are too low to achieve a commercially viable extraction. However, content of other highly valuable metals (Al and Cu) was found in concentrations equating to a combined value across the four landfills of around $400 million, which increases the economic viability of landfill mining. Presence of critical metals will mainly depend on the type of waste that was buried but the recovery of these metals through landfill mining is possible and is economically feasible only if additional materials (plastics, paper, metallic items and other) are

  2. Surface faceting and elemental diffusion behaviour at atomic scale for alloy nanoparticles during in situ annealing

    SciTech Connect (OSTI)

    Chi, Miaofang; Wang, Chao; Lei, Yinkai; Wang, Guofeng; Li, Dongguo; More, Karren L.; Lupini, Andrew; Allard, Lawrence F.; Markovic, Nenad M.; Stamenkovic, Vojislav R.

    2015-11-18

    The catalytic performance of nanoparticles is primarily determined by the precise nature of the surface and near-surface atomic configurations, which can be tailored by post-synthesis annealing effectively and straightforwardly. Understanding the complete dynamic response of surface structure and chemistry to thermal treatments at the atomic scale is imperative for the rational design of catalyst nanoparticles. Here, by tracking the same individual Pt3Co nanoparticles during in situ annealing in a scanning transmission electron microscope, we directly discern five distinct stages of surface elemental rearrangements in Pt3Co nanoparticles at the atomic scale: initial random (alloy) elemental distribution; surface platinum-skin-layer formation; nucleation of structurally ordered domains; ordered framework development and, finally, initiation of amorphization. Furthermore, a comprehensive interplay among phase evolution, surface faceting and elemental inter-diffusion is revealed, and supported by atomistic simulations. Furthermore, this work may pave the way towards designing catalysts through post-synthesis annealing for optimized catalytic performance.

  3. Graphene oxide/metal nanocrystal multilaminates as the atomic limit for safe and selective hydrogen storage

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

    Cho, Eun Seon; Ruminski, Anne M.; Aloni, Shaul; Liu, Yi-Sheng; Guo, Jinghua; Urban, Jeffrey J.

    2016-02-23

    Interest in hydrogen fuel is growing for automotive applications; however, safe, dense, solid-state hydrogen storage remains a formidable scientific challenge. Metal hydrides offer ample storage capacity and do not require cryogens or exceedingly high pressures for operation. However, hydrides have largely been abandoned because of oxidative instability and sluggish kinetics. We report a new, environmentally stable hydrogen storage material constructed of Mg nanocrystals encapsulated by atomically thin and gas-selective reduced graphene oxide (rGO) sheets. This material, protected from oxygen and moisture by the rGO layers, exhibits exceptionally dense hydrogen storage (6.5 wt% and 0.105 kg H2 per litre in themore » total composite). As rGO is atomically thin, this approach minimizes inactive mass in the composite, while also providing a kinetic enhancement to hydrogen sorption performance. In conclusion, these multilaminates of rGO-Mg are able to deliver exceptionally dense hydrogen storage and provide a material platform for harnessing the attributes of sensitive nanomaterials in demanding environments.« less

  4. Diffusion anisotropy of poor metal solute atoms in hcp-Ti

    SciTech Connect (OSTI)

    Scotti, Lucia Mottura, Alessandro

    2015-05-28

    Atom migration mechanisms influence a wide range of phenomena: solidification kinetics, phase equilibria, oxidation kinetics, precipitation of phases, and high-temperature deformation. In particular, solute diffusion mechanisms in α-Ti alloys can help explain their excellent high-temperature behaviour. The purpose of this work is to study self- and solute diffusion in hexagonal close-packed (hcp)-Ti, and its anisotropy, from first-principles using the 8-frequency model. The calculated diffusion coefficients show that diffusion energy barriers depend more on bonding characteristics of the solute rather than the size misfit with the host, while the extreme diffusion anisotropy of some solute elements in hcp-Ti is a result of the bond angle distortion.

  5. Atomic orbital data for elements with atomic numbers 1 less than or equal to Z less than or equal to 103

    SciTech Connect (OSTI)

    Kerley, G.I.

    1988-10-01

    Atomic orbital energies and radial expectation values are tabulated for the ground state electronic configuration of all elements with Z less than or equal to 103 and for all orbitals having principal quantum numbers n less than or equal to 8. These tables have been developed for use in a model of electronic excitation and ionization that requires orbital data for both the occupied and unoccupied orbitals. The wavefunctions were calculated by the Dirac-Hartree-Fock-Slater method, with a local exchange potential due to Liberman. This potential has the Coulombic form at large distances from the nucleus, with the result that both the occupied and unoccupied orbitals are bound states. The complete nonlocal exchange expression was used to compute the orbital energies. The results are in good agreement with full Dirac-Hartree-Fock calculations for the occupied orbitals. 22 refs., 2 tabs.

  6. Electrochemical probe for simultaneous extraction and identification of elements in metal alloys

    SciTech Connect (OSTI)

    Alperin, D.M.; Vargas, V.I.; Carminatti, H.

    1984-04-01

    A method based on well-known electrochemical procedures is currently used for the extraction and identification of metal alloys. In this method, the elements are passed to the ionic state with a dc source by using two electrodes, one applied to the metal and the other to a wet paper which is in contact with the sample. After the extraction, the paper is submitted to detection procedures. Here a problem is described in which the electrodes are placed differently from those of the methods mentioned above. In this probe both electrodes are in contact with the paper. The paper of the probe could be used for the simultaneous extraction and identification of ions, requiring only a small area of the sample (e.g., 1mm/sup 2/)

  7. Heavy metal transfers between trophic compartments in different ecosystems in Galicia (Northwest Spain): Essential elements

    SciTech Connect (OSTI)

    Gonzalez, X.I.; Aboal, J.R.; Fernandez, J.A.; Carballeira, A.

    2008-11-15

    In the present study, we determined the concentrations of Cu, Fe, Mn, and Zn in soil and several trophic compartments at a total of 16 sampling stations. The trophic compartments studied were primary producers, represented by two species of terrestrial mosses (Pseudoescleropodium purum and Hypnum cupressiforme) and oak trees (Quercus robur or Q. pyrenaica); primary consumers, represented by the wood mouse (Apodemus sylvaticus) and the yellow necked mouse (A. flavicollis); secondary consumers, represented by the shrew (Sorex granarius); and finally, detritivores, represented by slugs (Arion ater). Thirteen of the sampling stations were located in mature oak woodlands (Quercus sp.); two of the sampling stations were located in the area surrounding a restored lignite mine dump, and the other in an ultrabasic area. The analytical determinations revealed a lack of significant correlations among trophic compartments, possibly caused by effective regulation of metals by organisms and/or spatial variation in availability of metals from soil or food. Furthermore, the only element that showed a clear pattern of biomagnification was Cu; as for the other elements, there was always some divergence from such a pattern. Finally, the patterns of bioaccumulation in contaminated and woodland sampling stations were very similar, although there was enrichment of the concentrations of Cu, Mn, and Zn in the mice viscera, which, except for Mn, were related to higher edaphic concentrations.

  8. High aspect ratio iridescent three-dimensional metal–insulator–metal capacitors using atomic layer deposition

    SciTech Connect (OSTI)

    Burke, Micheal Blake, Alan; Djara, Vladimir; O'Connell, Dan; Povey, Ian M.; Cherkaoui, Karim; Monaghan, Scott; Scully, Jim; Murphy, Richard; Hurley, Paul K.; Pemble, Martyn E.; Quinn, Aidan J.

    2015-01-01

    The authors report on the structural and electrical properties of TiN/Al{sub 2}O{sub 3}/TiN metal–insulator–metal (MIM) capacitor structures in submicron three-dimensional (3D) trench geometries with an aspect ratio of ∼30. A simplified process route was employed where the three layers for the MIM stack were deposited using atomic layer deposition (ALD) in a single run at a process temperature of 250 °C. The TiN top and bottom electrodes were deposited via plasma-enhanced ALD using a tetrakis(dimethylamino)titanium precursor. 3D trench devices yielded capacitance densities of 36 fF/μm{sup 2} and quality factors >65 at low frequency (200 Hz), with low leakage current densities (<3 nA/cm{sup 2} at 1 V). These devices also show strong optical iridescence which, when combined with the covert embedded capacitance, show potential for system in package (SiP) anticounterfeiting applications.

  9. Gas atomization processing of tin and silicon modified LaNi{sub 5} for nickel-metal hydride battery applications

    SciTech Connect (OSTI)

    Ting, J.

    1999-02-12

    Numerous researchers have studied the relevant material properties of so-called AB{sub 5} alloys for battery applications. These studies involved LaNi{sub 5} substituted alloys which were prepared using conventional cast and crush alloying techniques. While valuable to the understanding of metal hydride effects, the previous work nearly ignored the potential for alternative direct powder production methods, like high pressure gas atomization (HPGA). Thus, there is a need to understand the relationship between gas atomization processes, powder particle solidification phases, and hydrogen absorption properties of ultra fine (< 25 {micro}m) atomized powders with high surface area for enhanced battery performance. Concurrently, development of a gas atomization nozzle that is more efficient than all current designs is needed to increase the yield of ultrafine AB{sub 5} alloy powder for further processing advantage. Gas atomization processing of the AB{sub 5} alloys was demonstrated to be effective in producing ultrafine spherical powders that were resilient to hydrogen cycling for the benefit of improving corrosion resistance in battery application. These ultrafine powders benefited from the rapid solidification process by having refined solute segregation in the microstructure of the gas atomized powders which enabled a rapid anneal treatment of the powders. The author has demonstrated the ability to produce high yields of ultrafine powder efficiently and cost effectively, using the new HPGA-III technology. Thus, the potential benefits of processing AB{sub 5} alloys using the new HPGA technology could reduce manufacturing cost of nickel-metal hydride powder. In the near future, the manufacture of AB{sub 5} alloy powders could become a continuous and rapid production process. The economic benefit of an improved AB{sub 5} production process may thereby encourage the use of nickel-metal hydride rechargeable batteries in electrical vehicle applications in the foreseeable

  10. Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films

    SciTech Connect (OSTI)

    Klein, C.; Vollmers, N. J.; Gerstmann, U.; Zahl, P.; Lukermann, D.; Jnawali, G.; Pfnur, H.; Sutter, P.; Tegenkamp, C.; Schmidt, W. G.; Horn-von Hoegen, M.

    2015-05-27

    By combining scanning tunneling microscopy with density functional theory it is shown that the Bi(111) surface provides a well-defined incorporation site in the first bilayer that traps highly coordinating atoms such as transition metals (TMs) or noble metals. All deposited atoms assume exactly the same specific sevenfold coordinated subsurface interstitial site while the surface topography remains nearly unchanged. Notably, 3d TMs show a barrier-free incorporation. The observed surface modification by barrier-free subsorption helps to suppress aggregation in clusters. Thus, it allows a tuning of the electronic properties not only for the pure Bi(111) surface, but may also be observed for topological insulators formed by substrate-stabilized Bi bilayers.

  11. SUB-LEU-METAL-THERM-001 SUBCRITICAL MEASUREMENTS OF LOW ENRICHED TUBULAR URANIUM METAL FUEL ELEMENTS BEFORE & AFTER IRRADIATION

    SciTech Connect (OSTI)

    SCHWINKENDORF, K.N.

    2006-05-12

    With the shutdown of the Hanford PUREX (Plutonium-Uranium Extraction Plant) reprocessing plant in the 1970s, adequate storage capacity for spent Hanford N Reactor fuel elements in the K and N Reactor pools became a concern. To maximize space utilization in the pools, accounting for fuel burnup was considered. Calculations indicated that at typical fuel exposures for N Reactor, the spent-fuel critical mass would be twice the critical mass for green fuel. A decision was reached to test the calculational result with a definitive experiment. If the results proved positive, storage capacity could be increased and N Reactor operation could be prolonged. An experiment to be conducted in the N Reactor spent-fuel storage pool was designed and assembled and the services of the Battelle Northwest Laboratories (BNWL) (now Pacific Northwest National Laboratory [PNNL]) critical mass laboratory were procured for the measurements. The experiments were performed in April 1975 in the Hanford N Reactor fuel storage pool. The fuel elements were MKIA fuel assemblies, comprising two concentric tubes of low-enriched metallic uranium. Two separate sets of measurements were performed: one with ''green'' (fresh) fuel and one with spent fuel. Both the green and spent fuel, were measured in the same geometry. The spent-fuel MKIA assemblies had an average burnup of 2865 MWd (megawatt days)/t. A constraint was imposed restricting the measurements to a subcritical limit of k{sub eff} = 0.97. Subcritical count rate data was obtained with pulsed-neutron and approach-to-critical measurements. Ten (10) configurations with green fuel and nine (9) configurations with spent fuel are described and evaluated. Of these, 3 green fuel and 4 spent fuel loading configurations were considered to serve as benchmark models. However, shortcomings in experimental data failed to meet the high standards for a benchmark problem. Nevertheless, the data provided by these subcritical measurements can supply useful

  12. Element

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

    Departmental Element 2. System Name/ Major Application Name 3. Location 4. Name of System Owner/ Information or Data Owner 5. Contact Information 6. Does the system collect or maintain Social Security numbers? 7. Source of Legal Requirement/Authority to Collect or Maintain Social Security Numbers? 8. Does the system have a Privacy Impact Assessment (PIA)? 9. Does the system have a System of Records Notice (SORN)? If yes, provide the name of the System of Records Notice. 10. Does the system

  13. Neutronic fuel element fabrication

    DOE Patents [OSTI]

    Korton, George

    2004-02-24

    This disclosure describes a method for metallurgically bonding a complete leak-tight enclosure to a matrix-type fuel element penetrated longitudinally by a multiplicity of coolant channels. Coolant tubes containing solid filler pins are disposed in the coolant channels. A leak-tight metal enclosure is then formed about the entire assembly of fuel matrix, coolant tubes and pins. The completely enclosed and sealed assembly is exposed to a high temperature and pressure gas environment to effect a metallurgical bond between all contacting surfaces therein. The ends of the assembly are then machined away to expose the pin ends which are chemically leached from the coolant tubes to leave the coolant tubes with internal coolant passageways. The invention described herein was made in the course of, or under, a contract with the U.S. Atomic Energy Commission. It relates generally to fuel elements for neutronic reactors and more particularly to a method for providing a leak-tight metal enclosure for a high-performance matrix-type fuel element penetrated longitudinally by a multiplicity of coolant tubes. The planned utilization of nuclear energy in high-performance, compact-propulsion and mobile power-generation systems has necessitated the development of fuel elements capable of operating at high power densities. High power densities in turn require fuel elements having high thermal conductivities and good fuel retention capabilities at high temperatures. A metal clad fuel element containing a ceramic phase of fuel intimately mixed with and bonded to a continuous refractory metal matrix has been found to satisfy the above requirements. Metal coolant tubes penetrate the matrix to afford internal cooling to the fuel element while providing positive fuel retention and containment of fission products generated within the fuel matrix. Metal header plates are bonded to the coolant tubes at each end of the fuel element and a metal cladding or can completes the fuel-matrix enclosure

  14. SUB-LEU-METAL-THERM-001 SUBCRITICAL MEASUREMENTS OF LOW ENRICHED TUBULAR URANIUM METAL FUEL ELEMENTS BEFORE & AFTER IRRADIATION

    SciTech Connect (OSTI)

    TOFFER, H.

    2006-07-18

    With the shutdown of the Hanford PUREX (Plutonium-Uranium Extraction Plant) reprocessing plant in the 1970s, adequate storage capacity for spent Hanford N Reactor fuel elements in the K and N Reactor pools became a concern. To maximize space utilization in the pools, accounting for fuel burnup was considered. Fuel that had experienced a neutron environment in a reactor is known as spent, exposed, or irradiated fuel. In contrast fuel that has not yet been placed in a reactor is known as green, unexposed, or unirradiated fuel. Calculations indicated that at typical fuel exposures for N Reactor, the spent-fuel critical mass would be twice the critical mass for green fuel. A decision was reached to test the calculational result with a definitive experiment. If the results proved positive, storage capacity could be increased and N Reactor operation could be prolonged. An experiment to be conducted in the N Reactor spent-fuel storage pool was designed and assembled (References 1 and 2) and the services of the Battelle Northwest Laboratories (BNWL) (now Pacific Northwest National Laboratory [PNNL]) critical mass laboratory were procured for the measurements (Reference 3). The experiments were performed in April 1975 in the Hanford N Reactor fuel storage pool. The fuel elements were MKIA fuel assemblies, comprised of two concentric tubes of low-enriched metallic uranium. Two separate sets of measurements were performed: one with unirradiated fuel and one with irradiated fuel. Both the unirradiated and irradiated fuel, were measured in the same geometry. The spent-fuel MKIA assemblies had an average burnup of 2865 MWd (megawatt days)/t. A constraint was imposed restricting the measurements to a subcritical limit of k{sub eff} = 0.97. Subcritical count rate data was obtained with pulsed-neutron and approach-to-critical measurements. Ten (10) configurations with green fuel and nine (9) configurations with spent fuel are described and evaluated. Of these, three (3) green fuel

  15. Precious metals and rare earth elements in municipal solid waste – Sources and fate in a Swiss incineration plant

    SciTech Connect (OSTI)

    Morf, Leo S.; Gloor, Rolf; Haag, Olaf; Haupt, Melanie; Skutan, Stefan; Lorenzo, Fabian Di; Böni, Daniel

    2013-03-15

    Highlights: ► We carefully addressed all the very valuable comments and suggestions of the reviewers. ► We also have shortened the size of the paper and tried simplify it substantially, as requested by the reviewers (introduction 25% reduced!). ► We have decided to take the chance and have replaced the data for the “additional” elements (Cu, Cd, Zn, Pb, Sn, Cr, Ni, Fe, Al) of the earlier MFA (Morf, 2011) with data that belong to the samples of this study. ► We are convinced that with the revision the paper has significantly improved in quality and attractiveness. - Abstract: In Switzerland many kinds of waste, e.g. paper, metals, electrical and electronic equipment are separately collected and recycled to a large extent. The residual amount of municipal solid waste (MSW) has to be thermally treated before final disposal. Efforts to recover valuable metals from incineration residues have recently increased. However, the resource potential of critical elements in the waste input (sources) and their partitioning into recyclable fractions and residues (fate) is unknown. Therefore, a substance flow analysis (SFA) for 31 elements including precious metals (Au, Ag), platinum metal group elements (Pt, Rh) and rare earth elements (La, Ce, etc.) has been conducted in a solid waste incinerator (SWI) with a state-of-the-art bottom ash treatment according to the Thermo-Re® concept. The SFA allowed the determination of the element partitioning in the SWI, as well as the elemental composition of the MSW by indirect analysis. The results show that the waste-input contains substantial quantities of precious metals, such as 0.4 ± 0.2 mg/kg Au and 5.3 ± 0.7 mg/kg Ag. Many of the valuable substances, such as Au and Ag are enriched in specific outputs (e.g. non-ferrous metal fractions) and are therefore recoverable. As the precious metal content in MSW is expected to rise due to its increasing application in complex consumer products, the results of this study are

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

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

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

    2014-11-03

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

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

    SciTech Connect (OSTI)

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

    2014-11-03

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

  18. Reduction of frequency noise and frequency shift by phase shifting elements in frequency modulation atomic force microscopy

    SciTech Connect (OSTI)

    Kobayashi, Kei; Yamada, Hirofumi; Matsushige, Kazumi

    2011-03-15

    We recently reported the analysis of the frequency noise in the frequency modulation atomic force microscopy (FM-AFM) both in high-Q and low-Q environments [Rev. Sci. Instrum. 80, 043708 (2009)]. We showed in the paper that the oscillator noise, the frequency fluctuation of the oscillator, becomes prominent in the modulation frequency lower than f{sub 0}/2Q, where f{sub 0} and Q are the resonance frequency and Q-factor. The magnitude of the oscillator noise is determined by the slope of the phase versus frequency curve of the cantilever at f{sub 0}. However, in actual FM-AFM in liquids, the phase versus frequency curve may not be always ideal because of the existence of various phase shifting elements (PSEs). For example, the spurious resonance peaks caused by the acoustic excitation and a band-pass filter in the self-oscillation loop increase the slope of the phase versus frequency curve. Due to those PSEs, the effective Q-factor is often increased from the intrinsic Q-factor of the cantilever. In this article, the frequency noise in the FM-AFM system with the PSEs in the self-oscillation loop is analyzed to show that the oscillator noise is reduced by the increase of the effective Q-factor. It is also shown that the oscillation frequency deviates from the resonance frequency due to the increase of the effective Q-factor, thereby causing the reduction in the frequency shift signal with the same factor. Therefore the increase of the effective Q-factor does not affect the signal-to-noise ratio in the frequency shift measurement, but it does affect the quantitativeness of the measured force in the FM-AFM. Furthermore, the reduction of the frequency noise and frequency shift by the increase of the effective Q-factor were confirmed by the experiments.

  19. Kinetic and Mechanistic Studies of Carbon-to-Metal Hydrogen Atom Transfer Involving Os-Centered Radicals: Evidence for Tunneling

    SciTech Connect (OSTI)

    Lewandowska-Androlojc, Anna; Grills, David C.; Zhang, Jie; Bullock, R. Morris; Miyazawa, Akira; Kawanishi, Yuji; Fujita, Etsuko

    2014-03-05

    We have investigated the kinetics of novel carbon-to-metal hydrogen atom transfer reactions, in which homolytic cleavage of a C-H bond is accomplished by a single metal-centered radical. Studies by means of time-resolved IR spectroscopic measurements revealed efficient hydrogen atom transfer from xanthene, 9,10-dihydroanthracene and 1,4-cyclohexadiene to Cp(CO)2Os• and (n5-iPr4C5H)(CO)2Os• radicals, formed by photoinduced homolysis of the corresponding osmium dimers. The rate constants for hydrogen abstraction from these hydrocarbons were found to be in the range 1.54 × 105 M 1 s 1 -1.73 × 107 M 1 s-1 at 25 °C. For the first time, kinetic isotope effects for carbon-to-metal hydrogen atom transfer were determined. Large primary kinetic isotope effects of 13.4 ± 1.0 and 16.6 ± 1.4 were observed for the hydrogen abstraction from xanthene to form Cp(CO)2OsH and (n5-iPr4C5H)(CO)2OsH, respectively, at 25 °C. Temperature-dependent measurements of the kinetic isotope effects over a 60 -C temperature range were carried out to obtain the difference in activation energies and the pre-exponential factor ratio. For hydrogen atom transfer from xanthene to (n5-iPr4C5H)(CO)2Os•, the (ED - EH) = 3.25 ± 0.20 kcal/mol and AH/AD = 0.056 ± 0.018 values are greater than the semi-classical limits and thus suggest a quantum mechanical tunneling mechanism. The work at BNL was carried out under contract DE-AC02-98CH10886 with the U.S. Department of Energy and supported by its Division of Chemical Sciences, Geosciences & Biosciences, Office of Basic Energy Sciences. RMB also thanks the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences for support. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  20. Method for removal of metal atoms from aqueous solution using suspended plant cells

    DOE Patents [OSTI]

    Jackson, Paul J.; Torres, deceased, Agapito P.; Delhaize, Emmanuel

    1992-01-01

    The use of plant suspension cultures to remove ionic metallic species and TNT-based explosives and their oxidation products from aqueous solution is described. Several plant strains were investigated including D. innoxia, Citrus citrus, and Black Mexican Sweet Corn. All showed significant ability to remove metal ions. Ions removed to sub-ppm levels include barium, iron, and plutonium. D. innoxia cells growing in media containing weapons effluent contaminated with Ba.sup.2+ also remove TNT, other explosives and oxidation products thereof from solution. The use of dead, dehydrated cells were also found to be of use in treating waste directly.

  1. Determination of heavy metals in solid emission and immission samples using atomic absorption spectroscopy

    SciTech Connect (OSTI)

    Fara, M.; Novak, F.

    1995-12-01

    Both flame and electrothermal methods of atomic absorption spectroscopy (AAS) have been applied to the determination of Al, As, Be, Ca, Cd, Co, Cr, Cu, Fe, Mn, Ni, Pb, TI, Se, V and Zn in emission and emission (deposition) samples decomposed in open PTFE test-tubes by individual fuming-off hydrofluoric, perchloroic and nitric acid. An alternative hydride technique was also used for As and Se determination and Hg was determined using a self-contained AAS analyzer. A graphite platform proved good to overcome non-spectral interferences in AAS-ETA. Methods developed were verified by reference materials (inc. NBS 1633a).

  2. Compositions of corrosion-resistant Fe-based amorphous metals suitable for producing thermal spray coatings

    DOE Patents [OSTI]

    Farmer, Joseph C; Wong, Frank M.G.; Haslam, Jeffery J; Ji, Xiaoyan; Day, Sumner D; Blue, Craig A; Rivard, John D.K.; Aprigliano, Louis F; Kohler, Leslie K; Bayles, Robert; Lemieux, Edward J; Yang, Nancy; Perepezko, John H; Kaufman, Larry; Heuer, Arthur; Lavernia, Enrique J

    2013-09-03

    A method of coating a surface comprising providing a source of amorphous metal that contains manganese (1 to 3 atomic %), yttrium (0.1 to 10 atomic %), and silicon (0.3 to 3.1 atomic %) in the range of composition given in parentheses; and that contains the following elements in the specified range of composition given in parentheses: chromium (15 to 20 atomic %), molybdenum (2 to 15 atomic %), tungsten (1 to 3 atomic %), boron (5 to 16 atomic %), carbon (3 to 16 atomic %), and the balance iron; and applying said amorphous metal to the surface by a spray.

  3. Compositions of corrosion-resistant Fe-based amorphous metals suitable for producing thermal spray coatings

    DOE Patents [OSTI]

    Farmer, Joseph C.; Wong, Frank M. G.; Haslam, Jeffery J.; Ji, Xiaoyan; Day, Sumner D.; Blue, Craig A.; Rivard, John D. K.; Aprigliano, Louis F.; Kohler, Leslie K.; Bayles, Robert; Lemieux, Edward J.; Yang, Nancy; Perepezko, John H.; Kaufman, Larry; Heuer, Arthur; Lavernia, Enrique J.

    2013-07-09

    A method of coating a surface comprising providing a source of amorphous metal that contains manganese (1 to 3 atomic %), yttrium (0.1 to 10 atomic %), and silicon (0.3 to 3.1 atomic %) in the range of composition given in parentheses; and that contains the following elements in the specified range of composition given in parentheses: chromium (15 to 20 atomic %), molybdenum (2 to 15 atomic %), tungsten (1 to 3 atomic %), boron (5 to 16 atomic %), carbon (3 to 16 atomic %), and the balance iron; and applying said amorphous metal to the surface by a spray.

  4. Initiation of atomic layer deposition of metal oxides on polymer substrates by water plasma pretreatment

    SciTech Connect (OSTI)

    Steven Brandt, E.; Grace, Jeremy M.

    2012-01-15

    The role of surface hydroxyl content in atomic layer deposition (ALD) of aluminum oxide (AO) on polymers is demonstrated by performing an atomic layer deposition of AO onto a variety of polymer types, before and after pretreatment in a plasma struck in water vapor. The treatment and deposition reactions are performed in situ in a high vacuum chamber that is interfaced to an x-ray photoelectron spectrometer to prevent adventitious exposure to atmospheric contaminants. X-ray photoelectron spectroscopy is used to follow the surface chemistries of the polymers, including theformation of surface hydroxyls and subsequent growth of AO by ALD. Using dimethyl aluminum isopropoxide and water as reactants, ALD is obtained for water-plasma-treated poly(styrene) (PS), poly(propylene) (PP), poly(vinyl alcohol) (PVA), and poly(ethylene naphthalate) (PEN). For PS, PP, and PEN, initial growth rates of AO on the native (untreated) polymers are at least an order of magnitude lower than on the same polymer surface following the plasma treatment. By contrast, native PVA is shown to initiate ALD of AO as a result of the presence of intrinsic surface hydroxyls that are derived from the repeat unit of this polymer.

  5. Local Probe into the Atomic Structure of Metallic Glasses using EELS

    SciTech Connect (OSTI)

    Alamgir, F.M.; Ito, Y. Schwarz, R.B.

    1999-11-30

    Electron energy loss spectroscopy (EELS) is used to extract information on the topological arrangement of atoms around Pd in the bulk-glass-forming Pd{sub 60}Ni{sub 20}P{sub 20}. It is found that the environment around Pd in the glass is only a slight modification of the Pd crystalline structure. However, the modification is enough to allow this alloy to form a glass in bulk. In examining the differences between the structure of crystalline Pd and glassy Pd{sub 60}Ni{sub 20}P{sub 20} it is concluded that incorporation of Ni and P into the structure frustrates the structure enough that glass formation becomes easy.

  6. The Ames Process for Rare Earth Metals | The Ames Laboratory

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

    The Ames Process for Rare Earth Metals The Ames Process for the preparation of high purity ... If we rearrange the order of elements from increasing atomic weight to increasing boiling ...

  7. Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy

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

    Santodonato, Louis J.; Zhang, Yang; Feygenson, Mikhail; Parish, Chad M.; Gao, Michael C.; Weber, Richard J. K.; Neuefeind, Joerg C.; Tang, Zhi; Liaw, Peter K.

    2015-01-20

    The alloy-design strategy of combining multiple elements in near-equimolar ratios has shown great potential for producing exceptional engineering materials, often known as “high-entropy alloys”. Understanding the elemental distribution, and, thus, the evolution of the configurational entropy during solidification, is undertaken in the present study using the Al1.3CoCrCuFeNi model alloy. Here we show that even when the material undergoes elemental segregation, precipitation, chemical ordering, and spinodal decomposition, a significant amount of disorder remains, due to the distributions of multiple elements in the major phases. In addition, the results suggest that the high-entropy-alloy-design strategy may be applied to a wide range ofmore » complex materials, and should not be limited to the goal of creating single-phase solid solutions.« less

  8. Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy

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

    Santodonato, Louis J.; Zhang, Yang; Feygenson, Mikhail; Parish, Chad M.; Gao, Michael C.; Weber, Richard J. K.; Neuefeind, Joerg C.; Tang, Zhi; Liaw, Peter K.

    2015-01-20

    The alloy-design strategy of combining multiple elements in near-equimolar ratios has shown great potential for producing exceptional engineering materials, often known as high-entropy alloys . Understanding the elemental distribution, and, thus, the evolution of the configurational entropy during solidification, is undertaken in the present study using the Al1.3CoCrCuFeNi model alloy. Here we show that, even when the material undergoes elemental segregation, precipitation, chemical ordering and spinodal decomposition, a significant amount of disorder remains, due to the distributions of multiple elements in the major phases. The results suggest that the high-entropy alloy-design strategy may be applied to a wide range ofmore » complex materials, and should not be limited to the goal of creating single-phase solid solutions.« less

  9. Atomic Scale Imaging of the Electronic Structure and Chemistry of Graphene and Its Precursors on Metal Surfaces

    SciTech Connect (OSTI)

    Flynn, George W

    2015-02-16

    Executive Summary of Final Report for Award DE-FG02-88ER13937 Project Title: Atomic Scale Imaging of the Electronic Structure and Chemistry of Graphene and its Precursors on Metal Surfaces Applicant/Institution: Columbia University Principal Investigator: George W. Flynn Objectives: The objectives of this project were to reveal the mechanisms and reaction processes that solid carbon materials undergo when combining with gases such as oxygen, water vapor and hydrocarbons. This research was focused on fundamental chemical events taking place on single carbon sheets of graphene, a two-dimensional, polycyclic carbon material that possesses remarkable chemical and electronic properties. Ultimately, this work is related to the role of these materials in mediating the formation of polycyclic aromatic hydrocarbons (PAH’s), their reactions at interfaces, and the growth of soot particles. Our intent has been to contribute to a fundamental understanding of carbon chemistry and the mechanisms that control the formation of PAH’s, which eventually lead to the growth of undesirable particulates. We expect increased understanding of these basic chemical mechanisms to spur development of techniques for more efficient combustion of fossil fuels and to lead to a concomitant reduction in the production of undesirable solid carbon material. Project Description: Our work treated specifically the surface chemistry aspects of carbon reactions by using proximal probe (atomic scale imaging) techniques to study model systems of graphene that have many features in common with soot forming reactions of importance in combustion flames. Scanning tunneling microscopy (STM) is the main probe technique that we used to study the interfacial structure and chemistry of graphene, mainly because of its ability to elucidate surface structure and dynamics with molecular or even atomic resolution. Scanning tunneling spectroscopy (STS), which measures the local density of quantum states over a single

  10. Magnetocaloric effect in heavy rare-earth elements doped Fe-based bulk metallic glasses with tunable Curie temperature

    SciTech Connect (OSTI)

    Li, Jiawei; Huo, Juntao; Chang, Chuntao E-mail: dujun@nimte.ac.cn; Du, Juan E-mail: dujun@nimte.ac.cn; Man, Qikui; Wang, Xinmin; Li, Run-Wei; Law, Jiayan

    2014-08-14

    The effects of heavy rare earth (RE) additions on the Curie temperature (T{sub C}) and magnetocaloric effect of the Fe-RE-B-Nb (RE = Gd, Dy and Ho) bulk metallic glasses were studied. The type of dopping RE element and its concentration can easily tune T{sub C} in a large temperature range of 120 K without significantly decreasing the magnetic entropy change (ΔS{sub M}) and refrigerant capacity (RC) of the alloys. The observed values of ΔS{sub M} and RC of these alloys compare favorably with those of recently reported Fe-based metallic glasses with enhanced RC compared to Gd{sub 5}Ge{sub 1.9}Si{sub 2}Fe{sub 0.1}. The tunable T{sub C} and large glass-forming ability of these RE doped Fe-based bulk metallic glasses can be used in a wide temperature range with the final required shapes.

  11. Inductively coupled plasma-atomic emission spectroscopy: a computer controlled, scanning monochromator system for the rapid determination of the elements

    SciTech Connect (OSTI)

    Floyd, M.A.

    1980-03-01

    A computer controlled, scanning monochromator system specifically designed for the rapid, sequential determination of the elements is described. The monochromator is combined with an inductively coupled plasma excitation source so that elements at major, minor, trace, and ultratrace levels may be determined, in sequence, without changing experimental parameters other than the spectral line observed. A number of distinctive features not found in previously described versions are incorporated into the system here described. Performance characteristics of the entire system and several analytical applications are discussed.

  12. Process for recovering elemental phosphorus and a metal concentrate from ferrophos

    DOE Patents [OSTI]

    Munday, Theodore F.; Mohr, Richard A.

    1989-02-21

    Ferrophos is treated in a plasma furnace by maintaining an electric arc between a cathode and at least one point on the surface of the ferrophos which serves as the anode in the presence of an inert plasma gas, maintaining the average temperature of the ferrophos at about 2,000.degree. C. to about 2,700.degree. C., evolving gaseous phosphorus from the ferrophos until it contains less than about 7% by weight phosphorus, removing a purified phosphorus gas as one product and a metal concentrate having a reduced phosphorus content as a coproduct.

  13. Thermodynamic assessment and experimental verification of reactive ion etching of magnetic metal elements

    SciTech Connect (OSTI)

    Kim, Taeseung; Chen, Jack Kun-Chieh; Chang, Jane P.

    2014-07-01

    A thermodynamic analysis of etch chemistries for Co, Fe, and Ni using a combination of hydrogen, oxygen, and halogen gases suggested that a single etchant does not work at 300?K; however, a sequential exposure to multiple etchants results in sufficiently high partial pressure of the reaction products for the process to be considered viable. This sequential dose utilized the two reactions, a surface halogenation followed by the secondary etchant exposure. (MX{sub 2}?(c)?+?3Y ?MY(g)?+?2XY(g), where M?=?Co, Fe, Ni; X?=?F, Cl, Br; Y?=?O, H) The volatilization reaction induced by sequential plasma exposure changed the equilibrium point, increasing the partial pressure of the etch product. Amongst all combinations, Cl{sub 2} or Br{sub 2} plasmas followed by H{sub 2} plasma were the most effective. From both the gas phase diagnostics and surface composition analysis, H{sub 2} plasma alone could not etch metallic Co, Fe, and Ni films but alternating doses of Cl{sub 2} and H{sub 2} plasmas resulted in more effective removal of chlorinated metals and increased the overall etch rate.

  14. Mapping Metals Incorporation of a Whole Single Catalyst Particle Using Element Specific X-ray Nanotomography

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

    Meirer, Florian; Morris, Darius T.; Kalirai, Sam; Liu, Yijin; Andrews, Joy C.; Weckhuysen, Bert M.

    2015-01-02

    Full-field transmission X-ray microscopy has been used to determine the 3D structure of a whole individual fluid catalytic cracking (FCC) particle at high spatial resolution and in a fast, noninvasive manner, maintaining the full integrity of the particle. Using X-ray absorption mosaic imaging to combine multiple fields of view, computed tomography was performed to visualize the macropore structure of the catalyst and its availability for mass transport. We mapped the relative spatial distributions of Ni and Fe using multiple-energy tomography at the respective X-ray absorption K-edges and correlated these distributions with porosity and permeability of an equilibrated catalyst (E-cat) particle.more » Both metals were found to accumulate in outer layers of the particle, effectively decreasing porosity by clogging of pores and eventually restricting access into the FCC particle.« less

  15. Mapping Metals Incorporation of a Whole Single Catalyst Particle Using Element Specific X-ray Nanotomography

    SciTech Connect (OSTI)

    Meirer, Florian; Morris, Darius T.; Kalirai, Sam; Liu, Yijin; Andrews, Joy C.; Weckhuysen, Bert M.

    2015-01-02

    Full-field transmission X-ray microscopy has been used to determine the 3D structure of a whole individual fluid catalytic cracking (FCC) particle at high spatial resolution and in a fast, noninvasive manner, maintaining the full integrity of the particle. Using X-ray absorption mosaic imaging to combine multiple fields of view, computed tomography was performed to visualize the macropore structure of the catalyst and its availability for mass transport. We mapped the relative spatial distributions of Ni and Fe using multiple-energy tomography at the respective X-ray absorption K-edges and correlated these distributions with porosity and permeability of an equilibrated catalyst (E-cat) particle. Both metals were found to accumulate in outer layers of the particle, effectively decreasing porosity by clogging of pores and eventually restricting access into the FCC particle.

  16. Activity of N-coordinated multi-metal-atom active site structures for Pt-free oxygen reduction reaction catalysis: Role of *OH ligands

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

    Holby, Edward F.; Taylor, Christopher D.

    2015-03-19

    We report calculated oxygen reduction reaction energy pathways on multi-metal-atom structures that have previously been shown to be thermodynamically favorable. We predict that such sites have the ability to spontaneously cleave the O₂ bond and then will proceed to over-bind reaction intermediates. In particular, the *OH bound state has lower energy than the final 2 H₂O state at positive potentials. Contrary to traditional surface catalysts, this *OH binding does not poison the multi-metal-atom site but acts as a modifying ligand that will spontaneously form in aqueous environments leading to new active sites that have higher catalytic activities. These *OH boundmore » structures have the highest calculated activity to date.« less

  17. Activity of N-coordinated multi-metal-atom active site structures for Pt-free oxygen reduction reaction catalysis: Role of *OH ligands

    SciTech Connect (OSTI)

    Holby, Edward F.; Taylor, Christopher D.

    2015-03-19

    We report calculated oxygen reduction reaction energy pathways on multi-metal-atom structures that have previously been shown to be thermodynamically favorable. We predict that such sites have the ability to spontaneously cleave the O? bond and then will proceed to over-bind reaction intermediates. In particular, the *OH bound state has lower energy than the final 2 H?O state at positive potentials. Contrary to traditional surface catalysts, this *OH binding does not poison the multi-metal-atom site but acts as a modifying ligand that will spontaneously form in aqueous environments leading to new active sites that have higher catalytic activities. These *OH bound structures have the highest calculated activity to date.

  18. Process for producing elements from a fused bath using a metal strap and ceramic electrode body nonconsumable electrode assembly

    DOE Patents [OSTI]

    Byrne, S.C.

    1984-07-03

    A nonconsumable electrode assembly is described suitable for use in the production of metal by electrolytic reduction of a metal compound dissolved in a molten salt, the assembly comprising a ceramic electrode body and a metal subassembly of a metal conductor rod and at least one metal strap affixed to an end of the rod with opposing portions extending radially outwardly from the rod axis and having the ends of the strap attached to the electrode body. 7 figs.

  19. Process for producing elements from a fused bath using a metal strap and ceramic electrode body nonconsumable electrode assembly

    DOE Patents [OSTI]

    Byrne, Stephen C.

    1984-01-01

    A nonconsumable electrode assembly suitable for use in the production of metal by electrolytic reduction of a metal compound dissolved in a molten salt, the assembly comprising a ceramic electrode body and a metal subassembly of a metal conductor rod and at least one metal strap affixed to an end of the rod with opposing portions extending radially outwardly from the rod axis and having the ends of the strap attached to the electrode body.

  20. Lawrenciums ionization potential, atom by atom

    SciTech Connect (OSTI)

    Miller, Johanna L.

    2015-06-15

    Researchers in Japan have begun probing the atomic physics of elements that can be produced only in minute quantities.

  1. Atomic-Resolution Visualization of Distinctive Chemical Mixing Behavior of Ni, Co and Mn with Li in Layered Lithium Transition-Metal Oxide Cathode Materials

    SciTech Connect (OSTI)

    Yan, Pengfei; Zheng, Jianming; Lv, Dongping; Wei, Yi; Zheng, Jiaxin; Wang, Zhiguo; Kuppan, Saravanan; Yu, Jianguo; Luo, Langli; Edwards, Danny J.; Olszta, Matthew J.; Amine, Khalil; Liu, Jun; Xiao, Jie; Pan, Feng; Chen, Guoying; Zhang, Jiguang; Wang, Chong M.

    2015-07-06

    Capacity and voltage fading of layer structured cathode based on lithium transition metal oxide is closely related to the lattice position and migration behavior of the transition metal ions. However, it is scarcely clear about the behavior of each of these transition metal ions. We report direct atomic resolution visualization of interatomic layer mixing of transition metal (Ni, Co, Mn) and lithium ions in layer structured oxide cathodes for lithium ion batteries. Using chemical imaging with aberration corrected scanning transmission electron microscope (STEM) and DFT calculations, we discovered that in the layered cathodes, Mn and Co tend to reside almost exclusively at the lattice site of transition metal (TM) layer in the structure or little interlayer mixing with Li. In contrast, Ni shows high degree of interlayer mixing with Li. The fraction of Ni ions reside in the Li layer followed a near linear dependence on total Ni concentration before reaching saturation. The observed distinctively different behavior of Ni with respect to Co and Mn provides new insights on both capacity and voltage fade in this class of cathode materials based on lithium and TM oxides, therefore providing scientific basis for selective tailoring of oxide cathode materials for enhanced performance.

  2. Two Keggin-type heteropolytungstates with transition metal as a central atom: Crystal structure and magnetic study with 2D-IR correlation spectroscopy

    SciTech Connect (OSTI)

    Chai, Feng [Department of Chemistry, Fuzhou University, Fuzhou 350108 (China); Chen, YiPing, E-mail: ypchen007@sina.com [Department of Chemistry, Fuzhou University, Fuzhou 350108 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); You, ZhuChai; Xia, ZeMin; Ge, SuZhi; Sun, YanQiong; Huang, BiHua [Department of Chemistry, Fuzhou University, Fuzhou 350108 (China)

    2013-06-01

    Two Keggin-type heteropolytungstates, [Co(phen)?]?[CoW??O??]9H?O 1 (phen=1,10-phenanthroline) and [Fe(phen)?]?[FeW??O??]H?OH?O 2, have been synthesized via the hydrothermal technique and characterized by single crystal X-ray diffraction analyses, IR, XPS, TG analysis, UVDRS, XRD, thermal-dependent and magnetic-dependent 2D-COS IR (two-dimensional infrared correlation spectroscopy). Crystal structure analysis reveals that the polyanions in compound 1 are linked into 3D supramolecule through hydrogen bonding interactions between lattice water molecules and terminal oxygen atoms of polyanion units, and [Co(phen)?]? cations distributed in the polyanion framework with many hydrogen bonding interactions. The XPS spectra indicate that all the Co atoms in 1 are +2 oxidation state, the Fe atoms in 2 existing with +2 and +3 mixed oxidation states. - Graphical abstract: The magnetic-dependent synchronous 2D correlation IR spectra of 1 (a), 2 (b) over 050 mT in the range of 6001000 cm?, the obvious response indicate two Keggin polyanions skeleton susceptible to applied magnetic field. Highlights: Two Keggin-type heteropolytungstates with transition metal as a central atom has been obtained. Compound 1 forms into 3D supramolecular architecture through hydrogen bonding between water molecules and polyanions. Magnetic-dependent 2D-IR correlation spectroscopy was introduced to discuss the magnetism of polyoxometalate.

  3. The structures and dynamics of atomic and molecular adsorbates on metal surfaces by scanning tunneling microscopy and low energy electron diffraction

    SciTech Connect (OSTI)

    Yoon, Hyungsuk Alexander

    1996-12-01

    Studies of surface structure and dynamics of atoms and molecules on metal surfaces are presented. My research has focused on understanding the nature of adsorbate-adsorbate and adsorbate-substrate interactions through surface studies of coverage dependency and coadsorption using both scanning tunneling microscopy (STM) and low energy electron diffraction (LEED). The effect of adsorbate coverage on the surface structures of sulfur on Pt(111) and Rh(111) was examined. On Pt(111), sulfur forms p(2x2) at 0.25 ML of sulfur, which transforms into a more compressed ({radical}3x{radical}3)R30{degrees} at 0.33 ML. On both structures, it was found that sulfur adsorbs only in fcc sites. When the coverage of sulfur exceeds 0.33 ML, it formed more complex c({radical}3x7)rect structure with 3 sulfur atoms per unit cell. In this structure, two different adsorption sites for sulfur atoms were observed - two on fcc sites and one on hcp site within the unit cell.

  4. Atomizing nozzle and process

    DOE Patents [OSTI]

    Anderson, Iver E.; Figliola, Richard S.; Molnar, Holly M.

    1993-07-20

    High pressure atomizing nozzle includes a high pressure gas manifold having a divergent expansion chamber between a gas inlet and arcuate manifold segment to minimize standing shock wave patterns in the manifold and thereby improve filling of the manifold with high pressure gas for improved melt atomization. The atomizing nozzle is especially useful in atomizing rare earth-transition metal alloys to form fine powder particles wherein a majority of the powder particles exhibit particle sizes having near-optimum magnetic properties.

  5. Atomizing nozzle and process

    DOE Patents [OSTI]

    Anderson, Iver E.; Figliola, Richard S.; Molnar, Holly M.

    1992-06-30

    High pressure atomizing nozzle includes a high pressure gas manifold having a divergent expansion chamber between a gas inlet and arcuate manifold segment to minimize standing shock wave patterns in the manifold and thereby improve filling of the manifold with high pressure gas for improved melt atomization. The atomizing nozzle is especially useful in atomizing rare earth-transition metal alloys to form fine powder particles wherein a majority of the powder particles exhibit particle sizes having near-optimum magnetic properties.

  6. Thermodynamic estimation of minor element distribution between immiscible liquids in Fe-Cu-based metal phase generated in melting treatment of municipal solid wastes

    SciTech Connect (OSTI)

    Lu, X.; Nakajima, K.; Sakanakura, H.; Matsubae, K.; Bai, H.; Nagasaka, T.

    2012-06-15

    Graphical abstract: Display Omitted Highlights: Black-Right-Pointing-Pointer Two liquids separation of metal occurs in the melting of municipal solid waste. Black-Right-Pointing-Pointer The distribution of PGMs etc. between two liquid metal phases is studied. Black-Right-Pointing-Pointer Quite simple thermodynamic model is applied to predict the distribution ratio. Black-Right-Pointing-Pointer Au and Ag originated from WEEE are found to be concentrated into Cu-rich phase. - Abstract: Waste electrical and electronic equipment (WEEE) has become an important target in managing material cycles from the viewpoint of not only waste management and control of environmental pollution but also resource conservation. This study investigated the distribution tendency of trace elements in municipal solid waste (MSW) or incinerator ash, including valuable non-ferrous metals (Ni, Co, Cr, Mn, Mo, Ti, V, W, Zr), precious group metals (PGMs) originated from WEEE (Ag, Au, Pd, Pt), and others (Al, B, Pb, Si), between Fe-rich and Cu-rich metal phases by means of simple thermodynamic calculations. Most of the typical alloying elements for steel (Co, Cr, Mo, Nb, Ni, Si, Ti, V, and W) and Rh were preferentially distributed into the Fe-rich phase. PGMs, such as Au, Ag, and Pd, were enriched in the Cu-rich phase, whereas Pt was almost equally distributed into both phases. Since the primary metallurgical processing of Cu is followed by an electrolysis for refining, and since PGMs in crude copper have been industrially recovered from the resulting anode slime, our results indicated that Ag, Au, and Pd could be effectively recovered from MSW if the Cu-rich phase could be selectively collected.

  7. THE OLD, SUPER-METAL-RICH OPEN CLUSTER, NGC 6791ELEMENTAL ABUNDANCES IN TURN-OFF STARS FROM KECK/HIRES SPECTRA

    SciTech Connect (OSTI)

    Merchant Boesgaard, Ann; Lum, Michael G.; Deliyannis, Constantine P. E-mail: mikelum@ifa.hawaii.edu

    2015-02-01

    The study of star clusters has advanced our understanding of stellar evolution, Galactic chemical evolution, and nucleosynthesis. Here we investigate the composition of turn-off stars in the intriguing open cluster, NGC 6791, which is old, but super-metal-rich with high-resolution (R= 46,000) Keck/HIRES spectra. We find [Fe/H]= +0.300.02 from measurements of some 40 unblended, unsaturated lines of both Fe I and Fe II in eight turn-off stars. Our O abundances come from the O I triplet near 7774 and we perform a differential analysis relative to the Sun from our Lunar spectrum also obtained with Keck/HIRES. The O results are corrected for small nLTE effects. We find consistent ratios of [O/Fe]{sub n} with a mean of 0.060.02. This is low with respect to field stars that are also both old and metal-rich and continue the trend of decreasing [O/Fe] with increasing [Fe/H]. The small range in our oxygen abundances is consistent with a single population of stars. Our results for the alpha elements [Mg/Fe], [Si/Fe], [Ca/Fe], and [Ti/Fe] are near solar and compare well with those of the old, metal-rich field stars. The two Fe-peak elements, Cr and Ni, are consistent with Fe. These turn-off-star abundances provide benchmark abundances to investigate whether there are any observable abundance differences with the giants that might arise from nuclear-burning and dredge-up processes. Determinations of upper limits were found for Li by spectrum synthesis and are consistent with the upper limits in similar stars in the relatively old, super-metal-rich cluster NGC 6253. Our results support the prediction from standard theory that higher-metallicity stars deplete more Li. Probably no stars in NGC 6791 have retained their initial Li.

  8. Fabrication of metal shells

    SciTech Connect (OSTI)

    O'Holleran, T.P.; Henderson, T.M.; Downs, R.L.; Nolen, R.L.

    1980-01-01

    Small hollow metal spheres are needed as targets for particle-beam fusion experiments and as the inner fuel container for multi-shell targets. For the multishell application, shells fabricated of materials with high atomic numbers, e.g., gold, are of particular interest because they may effectively reduce preheating of the fuel. Because the shells must also contain the fuel mixture (deuterium and tritium) at high pressures, high strength materials, e.g., iron, are also of considerable interest. With the objective of proof of principle we have investigated several techniques of fabricating shells of metal or materials containing large fractions of high atomic number elements. These techniques, our experimental results and their evaluation are presented.

  9. Laminated metal composite formed from low flow stress layers and high flow stress layers using flow constraining elements and making same

    DOE Patents [OSTI]

    Syn, C.K.; Lesuer, D.R.

    1995-07-04

    A laminated metal composite of low flow stress layers and high flow stress layers is described which is formed using flow constraining elements, preferably in the shape of rings, individually placed around each of the low flow stress layers while pressure is applied to the stack to bond the layers of the composite together, to thereby restrain the flow of the low flow stress layers from the stack during the bonding. The laminated metal composite of the invention is made by the steps of forming a stack of alternate layers of low flow stress layers and high flow stress layers with each layer of low flow stress material surrounded by an individual flow constraining element, such as a ring, and then applying pressure to the top and bottom surfaces of the resulting stack to bond the dissimilar layers together, for example, by compression rolling the stack. In a preferred embodiment, the individual flow constraining elements surrounding the layers of low flow stress material are formed of a material which may either be the same material as the material comprising the high flow stress layers, or have similar flow stress characteristics to the material comprising the high flow stress layers. Additional sacrificial layers may be added to the top and bottom of the stack to avoid damage to the stack during the bonding step; and these additional layers may then be removed after the bonding step. 5 figs.

  10. Laminated metal composite formed from low flow stress layers and high flow stress layers using flow constraining elements and making same

    DOE Patents [OSTI]

    Syn, Chol K.; Lesuer, Donald R.

    1995-01-01

    A laminated metal composite of low flow stress layers and high flow stress layers is described which is formed using flow constraining elements, preferably in the shape of rings, individually placed around each of the low flow stress layers while pressure is applied to the stack to bond the layers of the composite together, to thereby restrain the flow of the low flow stress layers from the stack during the bonding. The laminated metal composite of the invention is made by the steps of forming a stack of alternate layers of low flow stress layers and high flow stress layers with each layer of low flow stress material surrounded by an individual flow constraining element, such as a ring, and then applying pressure to the top and bottom surfaces of the resulting stack to bond the dissimilar layers together, for example, by compression rolling the stack. In a preferred embodiment, the individual flow constraining elements surrounding the layers of low flow stress material are formed of a material which may either be the same material as the material comprising the high flow stress layers, or have similar flow stress characteristics to the material comprising the high flow stress layers. Additional sacrificial layers may be added to the top and bottom of the stack to avoid damage to the stack during the bonding step; and these additional layers may then be removed after the bonding step.

  11. Transition metal nitride coated with atomic layers of Pt as a low-cost, highly stable electrocatalyst for the oxygen reduction reaction

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

    Tian, Xinlong; Adzic, Radoslav R.; Luo, Junming; Nan, Haoxiong; Zou, Haobin; Chen, Rong; Shu, Ting; Li, Xiuhua; Li, Yingwei; Song, Huiyi; et al

    2016-01-21

    Here, the main challenges to the commercial viability of polymer electrolyte membrane fuel cells are (i) the high cost associated with using large amounts of Pt in fuel cell cathodes to compensate for the sluggish kinetics of the oxygen reduction reaction, (ii) catalyst degradation, and (iii) carbon-support corrosion. To address these obstacles, our group has focused on robust, carbon-free transition metal nitride materials with low Pt content that exhibit tunable physical and catalytic properties. Here, we report on the high performance of a novel catalyst with low Pt content, prepared by placing several layers of Pt atoms on nanoparticles ofmore » titanium nickel binary nitride. For the ORR, the catalyst exhibited a more than 400% and 200% increase in mass activity and specific activity, respectively, compared with the commercial Pt/C catalyst. It also showed excellent stability/durability, experiencing only a slight performance loss after 10,000 potential cycles, while TEM results showed its structure had remained intact. The catalyst’s outstanding performance may have resulted from the ultrahigh dispersion of Pt (several atomic layers coated on the nitride nanoparticles), and the excellent stability/durability may have been due to the good stability of nitride and synergetic effects between ultrathin Pt layer and the robust TiNiN support.« less

  12. Work function tuning of plasma-enhanced atomic layer deposited WC{sub x}N{sub y} electrodes for metal/oxide/semiconductor devices

    SciTech Connect (OSTI)

    Zonensain, Oren; Fadida, Sivan; Eizenberg, Moshe; Fisher, Ilanit; Gao, Juwen; Chattopadhyay, Kaushik; Harm, Greg; Mountsier, Tom; Danek, Michal

    2015-02-23

    One of the main challenges facing the integration of metals as gate electrodes in advanced MOS devices is control over the Fermi level position at the metal/dielectric interface. In this study, we demonstrate the ability to tune the effective work function (EWF) of W-based electrodes by process modifications of the atomic layer deposited (ALD) films. Tungsten carbo-nitrides (WC{sub x}N{sub y}) films were deposited via plasma-enhanced and/or thermal ALD processes using organometallic precursors. The process modifications enabled us to control the stoichiometry of the WC{sub x}N{sub y} films. Deposition in hydrogen plasma (without nitrogen based reactant) resulted in a stoichiometry of WC{sub 0.4} with primarily W-C chemical bonding, as determined by x-ray photoelectron spectroscopy. These films yielded a relatively low EWF of 4.2 ± 0.1 eV. The introduction of nitrogen based reactant to the plasma or the thermal ALD deposition resulted in a stoichiometry of WC{sub 0.1}N{sub 0.6–0.8} with predominantly W-N chemical bonding. These films produced a high EWF of 4.7 ± 0.1 eV.

  13. Cation-poor complex metallic alloys in Ba(Eu)–Au–Al(Ga) systems: Identifying the keys that control structural arrangements and atom distributions at the atomic level

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

    Smetana, Volodymyr; Steinberg, Simon; Mudryk, Yaroslav; Pecharsky, Vitalij; Miller, Gordon J.; Mudring, Anja -Verena

    2015-10-19

    Four complex intermetallic compounds BaAu6±xGa6±y (x = 1, y = 0.9) (I), BaAu6±xAl6±y (x = 0.9, y = 0.6) (II), EuAu6.2Ga5.8 (III), and EuAu6.1Al5.9 (IV) have been synthesized, and their structures and homogeneity ranges have been determined by single crystal and powder X-ray diffraction. Whereas I and II originate from the NaZn13-type structure (cF104–112, Fm3C), III (tP52, P4/nbm) is derived from the tetragonal Ce2Ni17Si9-type, and IV (oP104, Pbcm) crystallizes in a new orthorhombic structure type. Both I and II feature formally anionic networks with completely mixed site occupation by Au and triel (Tr = Al, Ga) atoms, while a successivemore » decrease of local symmetry from the parental structures of I and II to III and, ultimately, to IV correlates with increasing separation of Au and Tr on individual crystallographic sites. Density functional theory-based calculations were employed to determine the crystallographic site preferences of Au and the respective triel element to elucidate reasons for the atom distribution (“coloring scheme”). Chemical bonding analyses for two different “EuAu6Tr6” models reveal maximization of the number of heteroatomic Au–Tr bonds as the driving force for atom organization. The Fermi levels fall in broad pseudogaps for both models allowing some electronic flexibility. Spin-polarized band structure calculations on the “EuAu6Tr6” models hint to singlet ground states for europium and long-range magnetic coupling for both EuAu6.2Ga5.8 (III) and EuAu6.1Al5.9 (IV). This is substantiated by experimental evidence because both compounds show nearly identical magnetic behavior with ferromagnetic transitions at TC = 6 K and net magnetic moments of 7.35 μB/f.u. at 2 K. As a result, the effective moments of 8.3 μB/f.u., determined from Curie–Weiss fits, point to divalent oxidation states for europium in both III and IV.« less

  14. THE ORIGINS OF LIGHT AND HEAVY R-PROCESS ELEMENTS IDENTIFIED BY CHEMICAL TAGGING OF METAL-POOR STARS

    SciTech Connect (OSTI)

    Tsujimoto, Takuji; Shigeyama, Toshikazu

    2014-11-01

    Growing interests in neutron star (NS) mergers as the origin of r-process elements have sprouted since the discovery of evidence for the ejection of these elements from a short-duration ?-ray burst. The hypothesis of a NS merger origin is reinforced by a theoretical update of nucleosynthesis in NS mergers successful in yielding r-process nuclides with A >130. On the other hand, whether the origin of light r-process elements are associated with nucleosynthesis in NS merger events remains unclear. We find a signature of nucleosynthesis in NS mergers from peculiar chemical abundances of stars belonging to the Galactic globular cluster M15. This finding combined with the recent nucleosynthesis results implies a potential diversity of nucleosynthesis in NS mergers. Based on these considerations, we are successful in the interpretation of an observed correlation between [light r-process/Eu] and [Eu/Fe] among Galactic halo stars and accordingly narrow down the role of supernova nucleosynthesis in the r-process production site. We conclude that the tight correlation by a large fraction of halo stars is attributable to the fact that core-collapse supernovae produce light r-process elements while heavy r-process elements such as Eu and Ba are produced by NS mergers. On the other hand, stars in the outlier, composed of r-enhanced stars ([Eu/Fe] ?+1) such as CS22892-052, were exclusively enriched by matter ejected by a subclass of NS mergers that is inclined to be massive and consist of both light and heavy r-process nuclides.

  15. Dynamic response of Cu4Zr54 metallic glass to high strain rate shock loading: plasticity, spall and atomic-level structures

    SciTech Connect (OSTI)

    Luo, Shengnian; Arman, Bedri; Germann, Timothy C; Cagin, Tahir

    2009-01-01

    We investigate dynamic response of Cu{sub 46}Zr{sub 54} metallic glass under adiabatic planar shock wave loading (one-dimensional strain) wjth molecular dynamics simulations, including Hugoniot (shock) states, shock-induced plasticity and spallation. The Hugoniot states are obtained up to 60 CPa along with the von Mises shear flow strengths, and the dynamic spall strength, at different strain rates and temperatures. The spall strengths likely represent the limiting values achievable in experiments such as laser ablation. For the steady shock states, a clear elastic-plastic transition is identified (e.g., in the shock velocity-particle velocity curve), and the shear strength shows strain-softening. However, the elastic-plastic transition across the shock front displays transient stress overshoot (hardening) above the Hugoniot elastic limit followed by a relatively sluggish relaxation to the steady shock state, and the plastic shock front steepens with increasing shock strength. The local von Mises shear strain analysis is used to characterize local deformation, and the Voronoi tessellation analysis, the corresponding short-range structures at various stages of shock, release, tension and spallation. The plasticity in this glass is manifested as localized shear transformation zones and of local structure rather than thermal origin, and void nucleation occurs preferentially at the highly shear-deformed regions. The Voronoi and shear strain analyses show that the atoms with different local structures are of different shear resistances that lead to shear localization (e.g., the atoms indexed with (0,0,12,0) are most shear-resistant, and those with (0,2,8,1) are highly prone to shear flow). The dynamic changes in local structures are consistent with the observed deformation dynamics.

  16. Comparison of gate dielectric plasma damage from plasma-enhanced atomic layer deposited and magnetron sputtered TiN metal gates

    SciTech Connect (OSTI)

    Brennan, Christopher J.; Neumann, Christopher M.; Vitale, Steven A.

    2015-07-28

    Fully depleted silicon-on-insulator transistors were fabricated using two different metal gate deposition mechanisms to compare plasma damage effects on gate oxide quality. Devices fabricated with both plasma-enhanced atomic-layer-deposited (PE-ALD) TiN gates and magnetron plasma sputtered TiN gates showed very good electrostatics and short-channel characteristics. However, the gate oxide quality was markedly better for PE-ALD TiN. A significant reduction in interface state density was inferred from capacitance-voltage measurements as well as a 1200× reduction in gate leakage current. A high-power magnetron plasma source produces a much higher energetic ion and vacuum ultra-violet (VUV) photon flux to the wafer compared to a low-power inductively coupled PE-ALD source. The ion and VUV photons produce defect states in the bulk of the gate oxide as well as at the oxide-silicon interface, causing higher leakage and potential reliability degradation.

  17. Cation-poor complex metallic alloys in Ba(Eu)–Au–Al(Ga) systems: Identifying the keys that control structural arrangements and atom distributions at the atomic level

    SciTech Connect (OSTI)

    Smetana, Volodymyr; Steinberg, Simon; Mudryk, Yaroslav; Pecharsky, Vitalij; Miller, Gordon J.; Mudring, Anja -Verena

    2015-10-19

    Four complex intermetallic compounds BaAu6±xGa6±y (x = 1, y = 0.9) (I), BaAu6±xAl6±y (x = 0.9, y = 0.6) (II), EuAu6.2Ga5.8 (III), and EuAu6.1Al5.9 (IV) have been synthesized, and their structures and homogeneity ranges have been determined by single crystal and powder X-ray diffraction. Whereas I and II originate from the NaZn13-type structure (cF104–112, Fm3C), III (tP52, P4/nbm) is derived from the tetragonal Ce2Ni17Si9-type, and IV (oP104, Pbcm) crystallizes in a new orthorhombic structure type. Both I and II feature formally anionic networks with completely mixed site occupation by Au and triel (Tr = Al, Ga) atoms, while a successive decrease of local symmetry from the parental structures of I and II to III and, ultimately, to IV correlates with increasing separation of Au and Tr on individual crystallographic sites. Density functional theory-based calculations were employed to determine the crystallographic site preferences of Au and the respective triel element to elucidate reasons for the atom distribution (“coloring scheme”). Chemical bonding analyses for two different “EuAu6Tr6” models reveal maximization of the number of heteroatomic Au–Tr bonds as the driving force for atom organization. The Fermi levels fall in broad pseudogaps for both models allowing some electronic flexibility. Spin-polarized band structure calculations on the “EuAu6Tr6” models hint to singlet ground states for europium and long-range magnetic coupling for both EuAu6.2Ga5.8 (III) and EuAu6.1Al5.9 (IV). This is substantiated by experimental evidence because both compounds show nearly identical magnetic behavior with ferromagnetic transitions at TC = 6 K and net magnetic moments of 7.35 μB/f.u. at 2 K. As a result, the effective moments

  18. Microalloying of transition metal silicides by mechanical activation and field-activated reaction

    DOE Patents [OSTI]

    Munir, Zuhair A. (Davis, CA); Woolman, Joseph N. (Davis, CA); Petrovic, John J. (Los Alamos, NM)

    2003-09-02

    Alloys of transition metal suicides that contain one or more alloying elements are fabricated by a two-stage process involving mechanical activation as the first stage and densification and field-activated reaction as the second stage. Mechanical activation, preferably performed by high-energy planetary milling, results in the incorporation of atoms of the alloying element(s) into the crystal lattice of the transition metal, while the densification and field-activated reaction, preferably performed by spark plasma sintering, result in the formation of the alloyed transition metal silicide. Among the many advantages of the process are its ability to accommodate materials that are incompatible in other alloying methods.

  19. DOE - Office of Legacy Management -- Westinghouse Atomic Power Div - PA 16

    Office of Legacy Management (LM)

    Power Div - PA 16 FUSRAP Considered Sites Site: WESTINGHOUSE ATOMIC POWER DIV. (PA.16 ) Eliminated from further consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Route 30 (Forrest Hills) , Pittsburgh , Pennsylvania PA.16-1 Evaluation Year: 1985 PA.16-1 Site Operations: Processed uranium metal for research and development and pilot-scale production of uranium oxide fuel elements. Prepared uranium metal for Enrico Fermi's Stagg Field experiment. PA.16-1 Site

  20. Improved graphite furnace atomizer

    DOE Patents [OSTI]

    Siemer, D.D.

    1983-05-18

    A graphite furnace atomizer for use in graphite furnace atomic absorption spectroscopy is described wherein the heating elements are affixed near the optical path and away from the point of sample deposition, so that when the sample is volatilized the spectroscopic temperature at the optical path is at least that of the volatilization temperature, whereby analyteconcomitant complex formation is advantageously reduced. The atomizer may be elongated along its axis to increase the distance between the optical path and the sample deposition point. Also, the atomizer may be elongated along the axis of the optical path, whereby its analytical sensitivity is greatly increased.

  1. Atomic magnetometer

    DOE Patents [OSTI]

    Schwindt, Peter; Johnson, Cort N.

    2012-07-03

    An atomic magnetometer is disclosed which uses a pump light beam at a D1 or D2 transition of an alkali metal vapor to magnetically polarize the vapor in a heated cell, and a probe light beam at a different D2 or D1 transition to sense the magnetic field via a polarization rotation of the probe light beam. The pump and probe light beams are both directed along substantially the same optical path through an optical waveplate and through the heated cell to an optical filter which blocks the pump light beam while transmitting the probe light beam to one or more photodetectors which generate electrical signals to sense the magnetic field. The optical waveplate functions as a quarter waveplate to circularly polarize the pump light beam, and as a half waveplate to maintain the probe light beam linearly polarized.

  2. Shape-selective catalysts for Fischer-Tropsch chemistry : atomic layer deposition of active catalytic metals. Activity report : January 1, 2005 - September 30, 2005.

    SciTech Connect (OSTI)

    Cronauer, D. C.

    2011-04-15

    Argonne National Laboratory is carrying out a research program to create, prepare, and evaluate catalysts to promote Fischer-Tropsch (FT) chemistry - specifically, the reaction of hydrogen with carbon monoxide to form long-chain hydrocarbons. In addition to needing high activity, it is desirable that the catalysts have high selectivity and stability with respect to both mechanical strength and aging properties. The broad goal is to produce diesel fraction components and avoiding excess yields of both light hydrocarbons and heavy waxes. Originally the goal was to prepare shape-selective catalysts that would limit the formation of long-chain products and yet retain the active metal sites in a protected 'cage.' Such catalysts were prepared with silica-containing fractal cages. The activity was essentially the same as that of catalysts without the cages. We are currently awaiting follow-up experiments to determine the attrition strength of these catalysts. A second experimental stage was undertaken to prepare and evaluate active FT catalysts formed by atomic-layer deposition [ALD] of active components on supported membranes and particulate supports. The concept was that of depositing active metals (i.e. ruthenium, iron or cobalt) upon membranes with well defined flow channels of small diameter and length such that the catalytic activity and product molecular weight distribution could be controlled. In order to rapidly evaluate the catalytic membranes, the ALD coating processes were performed in an 'exploratory mode' in which ALD procedures from the literature appropriate for coating flat surfaces were applied to the high surface area membranes. Consequently, the Fe and Ru loadings in the membranes were likely to be smaller than those expected for complete monolayer coverage. In addition, there was likely to be significant variation in the Fe and Ru loading among the membranes due to difficulties in nucleating these materials on the aluminum oxide surfaces. The first

  3. Gamma and proton irradiation effects and thermal stability of electrical characteristics of metal-oxide-silicon capacitors with atomic layer deposited Al2O3 dielectric

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

    J. M. Rafi; Lynn, D.; Pellegrini, G.; Fadeyev, V.; Galloway, Z.; Sadrozinski, H. F. -W.; Christophersen, M.; Philips, B. F.; Kierstead, J.; Hoeferkamp, M.; et al

    2015-12-11

    The radiation hardness and thermal stability of the electrical characteristics of atomic layer deposited Al2O3 layers to be used as passivation films for silicon radiation detectors with slim edges are investigated. To directly measure the interface charge and to evaluate its change with the ionizing dose, metal-oxide-silicon (MOS) capacitors implementing differently processed Al2O3 layers were fabricated on p-type silicon substrates. Qualitatively similar results are obtained for degradation of capacitance–voltage and current–voltage characteristics under gamma and proton irradiations up to equivalent doses of 30 Mrad and 21.07 Mrad, respectively. While similar negative charge densities are initially extracted for all non-irradiated capacitors,more » superior radiation hardness is obtained for MOS structures with alumina layers grown with H2O instead of O3 as oxidant precursor. Competing effects between radiation-induced positive charge trapping and hydrogen release from the H2O-grown Al2O3 layers may explain their higher radiation resistance. Finally, irradiated and non-irradiated MOS capacitors with differently processed Al2O3 layers have been subjected to thermal treatments in air at temperatures ranging between 100 °C and 200 °C and the thermal stability of their electrical characteristics has been evaluated. Partial recovery of the gamma-induced degradation has been noticed for O3-grown MOS structures. Lastly, this can be explained by a trapped holes emission process, for which an activation energy of 1.38 ± 0.15 eV has been extracted.« less

  4. Ultra-sensitive Magnetic Microscopy with an Atomic Magnetometer...

    Office of Scientific and Technical Information (OSTI)

    Country of Publication: United States Language: English Subject: 74 ATOMIC AND ... PERFORMANCE TESTING; SENSITIVITY; DATA ACQUISITION SYSTEMS; ALKALI METALS; ATOMS Word ...

  5. Calculations of atomic sputtering and displacement cross-sections in solid elements by electrons with energies from threshold to 1. 5 MV

    SciTech Connect (OSTI)

    Bradley, C.R.

    1988-12-01

    The kinetics of knock-on collisions of relativistic electrons with nuclei and details of the numerical evaluation of differential, recoil, and total Mott cross-sections are reviewed and discussed. The effects of electron beam induced displacement and sputtering, in the transmission electron microscope (TEM) environment, on microanalysis are analyzed with particular emphasis placed on the removal of material by knock-on sputtering. The mass loss predicted due to transmission knock-on sputtering is significant for many elements under conditions frequently encountered in microanalysis. Total Mott cross-sections are tabulated for all naturally occurring solid elements up to Z = 92 at displacement energies of one, two, four, and five times the sublimation energy and for accelerating voltages accessible in the transmission electron microscope. Fortran source code listings for the calculation of the differential Mott cross-section as a function of electron scattering angle (dMottCS), as a function of nuclear recoil angle (RECOIL), and the total Mott cross-section (TOTCS) are included. 48 refs., 21 figs., 12 tabs.

  6. Control Heterogeneous Catalysis at Atomic and Electronic-level...

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

    Control Heterogeneous Catalysis at Atomic and Electronic-level Using Intermetallic Compounds Precious metals and metal alloys are important heterogeneous catalysts for renewable...

  7. Rare Earth Metals & Alloys | The Ames Laboratory

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

    Rare Earth Metals & Alloys Quantities of high-purity rare earth metals and alloys in ... storage, cutting and cleaning and SDS information for the rare earth elements (metals).

  8. Atomizer with liquid spray quenching

    DOE Patents [OSTI]

    Anderson, I.E.; Osborne, M.G.; Terpstra, R.L.

    1998-04-14

    Method and apparatus are disclosed for making metallic powder particles wherein a metallic melt is atomized by a rotating disk or other atomizer at an atomizing location in a manner to form molten droplets moving in a direction away from said atomizing location. The atomized droplets pass through a series of thin liquid quenching sheets disposed in succession about the atomizing location with each successive quenching sheet being at an increasing distance from the atomizing location. The atomized droplets are incrementally cooled and optionally passivated as they pass through the series of liquid quenching sheets without distorting the atomized droplets from their generally spherical shape. The atomized, cooled droplets can be received in a chamber having a collection wall disposed outwardly of the series of liquid quenching sheets. A liquid quenchant can be flowed proximate the chamber wall to carry the cooled atomized droplets to a collection chamber where atomized powder particles and the liquid quenchant are separated such that the liquid quenchant can be recycled. 6 figs.

  9. Atomizer with liquid spray quenching

    DOE Patents [OSTI]

    Anderson, Iver E.; Osborne, Matthew G.; Terpstra, Robert L.

    1998-04-14

    Method and apparatus for making metallic powder particles wherein a metallic melt is atomized by a rotating disk or other atomizer at an atomizing location in a manner to form molten droplets moving in a direction away from said atomizing location. The atomized droplets pass through a series of thin liquid quenching sheets disposed in succession about the atomizing location with each successive quenching sheet being at an increasing distance from the atomizing location. The atomized droplets are incrementally cooled and optionally passivated as they pass through the series of liquid quenching sheets without distorting the atomized droplets from their generally spherical shape. The atomized, cooled droplets can be received in a chamber having a collection wall disposed outwardly of the series of liquid quenching sheets. A liquid quenchant can be flowed proximate the chamber wall to carry the cooled atomized droplets to a collection chamber where atomized powder particles and the liquid quenchant are separated such that the liquid quenchant can be recycled.

  10. Catalyst for elemental sulfur recovery process

    DOE Patents [OSTI]

    Flytzani-Stephanopoulos, Maria; Liu, Wei

    1995-01-01

    A catalytic reduction process for the direct recovery of elemental sulfur from various SO.sub.2 -containing industrial gas streams. The catalytic process provides high activity and selectivity, as well as stability in the reaction atmosphere, for the reduction of SO.sub.2 to elemental sulfur product with carbon monoxide or other reducing gases. The reaction of sulfur dioxide and reducing gas takes place over a metal oxide composite catalyst having one of the following empirical formulas: [(OF.sub.2).sub.1-n (RO.sub.1)n].sub.1-k M.sub.k, [(FO.sub.2).sub.1-n (RO.sub.1.5).sub.n ].sub.1-k M.sub.k, or [Ln.sub.x Zr.sub.1-x O.sub.2-0.5x ].sub.1-k M.sub.k wherein FO.sub.2 is a fluorite-type oxide; RO represents an alkaline earth oxide; RO.sub.1.5 is a Group IIIB or rare earth oxide; Ln is a rare earth element having an atomic number from 57 to 65 or mixtures thereof; M is a transition metal or a mixture of transition metals; n is a number having a value from 0.0 to 0.35; k is a number having a value from 0.0 to about 0.5; and x is a number having a value from about 0.45 to about 0.55.

  11. Atom-split it for nuclear energy

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

    adjustments were provided by the 'Calutron Girls' Seaborg-Chairman of the Atomic Energy Commission 1961-1971; discovered many elements Buckyball-Buckminsterfullerene; 60...

  12. Guided evolution of bulk metallic glass nanostructures: A platform for designing three-dimensional electrocatalytic surfaces

    SciTech Connect (OSTI)

    Doubek, Gustavo; Sekol, Ryan C.; Li, Jinyang; Ryu, Won -Hee; Gittleson, Forrest S.; Nejati, Siamak; Moy, Eric; Reid, Candy; Carmo, Marcelo; Linardi, Marcelo; Bordeenithikasem, Punnathat; Kinser, Emily; Liu, Yanhui; Tong, Xiao; Osuji, Chinedum; Schroers, Jan; Mukherjee, Sundeep; Taylor, Andre D.

    2015-12-22

    Precise control over catalyst surface composition and structure is necessary to improve the function of electrochemical systems. To that end, bulk metallic glass (BMG) alloys with atomically dispersed elements provide a highly processable, nanoscale platform for electrocatalysis and surface modification. Here we report on nanostructures of Pt-based BMGs that are modified with various subtractive and additive processes to improve their electrochemical performance.

  13. Iowa Powder Atomization Technologies

    ScienceCinema (OSTI)

    None

    2013-03-01

    The same atomization effect seen in a fuel injector is being applied to titanium metal resulting in fine titanium powders that are less than half the width of a human hair. Titanium melts above 3,000°F and is highly corrosive therefore requiring specialized containers. The liquid titanium is poured through an Ames Laboratory - USDOE patented tube which is intended to increase the energy efficiency of the atomization process, which has the ability to dramatically decrease the cost of fine titanium powders. This novel process could open markets for green manufacturing of titanium components from jet engines to biomedical implants.

  14. Iowa Powder Atomization Technologies

    SciTech Connect (OSTI)

    2012-01-01

    The same atomization effect seen in a fuel injector is being applied to titanium metal resulting in fine titanium powders that are less than half the width of a human hair. Titanium melts above 3,000°F and is highly corrosive therefore requiring specialized containers. The liquid titanium is poured through an Ames Laboratory - USDOE patented tube which is intended to increase the energy efficiency of the atomization process, which has the ability to dramatically decrease the cost of fine titanium powders. This novel process could open markets for green manufacturing of titanium components from jet engines to biomedical implants.

  15. FOIL ELEMENT FOR NUCLEAR REACTOR

    DOE Patents [OSTI]

    Noland, R.A.; Walker, D.E.; Spinrad, B.I.

    1963-07-16

    A method of making a foil-type fuel element is described. A foil of fuel metal is perforated in; regular design and sheets of cladding metal are placed on both sides. The cladding metal sheets are then spot-welded to each other through the perforations, and the edges sealed. (AEC)

  16. Low interface defect density of atomic layer deposition BeO with self-cleaning reaction for InGaAs metal oxide semiconductor field effect transistors

    SciTech Connect (OSTI)

    Shin, H. S.; SEMATECH, 2706 Montopolis Dr., Austin, Texas 78741; The University of Texas, Austin, Texas 78758 ; Yum, J. H.; The University of Texas, Austin, Texas 78758 ; Johnson, D. W.; Texas A and M University College Station, Texas 77843 ; Harris, H. R.; Hudnall, Todd W.; Oh, J.; Kirsch, P.; Wang, W.-E.; Bielawski, C. W.; Banerjee, S. K.; Lee, J. C.; Lee, H. D.

    2013-11-25

    In this paper, we discuss atomic configuration of atomic layer deposition (ALD) beryllium oxide (BeO) using the quantum chemistry to understand the theoretical origin. BeO has shorter bond length, higher reaction enthalpy, and larger bandgap energy compared with those of ALD aluminum oxide. It is shown that the excellent material properties of ALD BeO can reduce interface defect density due to the self-cleaning reaction and this contributes to the improvement of device performance of InGaAs MOSFETs. The low interface defect density and low leakage current of InGaAs MOSFET were demonstrated using X-ray photoelectron spectroscopy and the corresponding electrical results.

  17. Trace metal characterization and speciation in geothermal effluent by multiple scanning anodic stripping voltammetry and atomic absorpotion analysis. Annual progress report

    SciTech Connect (OSTI)

    Kowalski, B R

    1980-01-01

    Only the actual application of the ultratrace metal analysis methods to samples taken from geothermal sites in Washington and Oregon is covered. The in-field sampling equipment constructed for the studies, procedures developed or adapted, and the results obtained on representative samples taken from geothermal sites are described. (MHR)

  18. ATOM | NISAC

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

    NISACATOM content top Network Optimization Models (RNAS and ATOM) Posted by Admin on Mar 1, 2012 in | Comments 0 comments Many critical infrastructures can be represented by a...

  19. The synthetic elements

    SciTech Connect (OSTI)

    Hoffman, D.C.

    1990-05-01

    Prior to 1940, the heaviest element known was uranium, discovered in 1789. Since that time the elements 93 through 109 have been synthesized and identified and the elements 43, 61, 85, and 87 which were missing form the periodic tables of the 1930's have been discovered. The techniques and problems involved in these discoveries and the placement of the transuranium elements in the periodic table will be discussed. The production and positive identification of elements heavier than Md (Z=101), which have very short half-lives and can only be produced an atom-at-a-time, are very difficult and there have been controversies concerning their discovery. Some of the new methods which have been developed and used in these studies will be described. The prospects for production of still heavier elements will be considered.

  20. Method for preparing metal powder, device for preparing metal powder, method for processing spent nuclear fuel

    DOE Patents [OSTI]

    Park, Jong-Hee (Clarendon Hills, IL)

    2011-11-29

    A method for producing metal powder is provided the comprising supplying a molten bath containing a reducing agent, contacting a metal oxide with the molten bath for a time and at a temperature sufficient to reduce the metal in the metal oxide to elemental metal and produce free oxygen; and isolating the elemental metal from the molten bath.

  1. Polarization-dependent atomic dipole traps behind a circular aperture for neutral-atom quantum computing

    SciTech Connect (OSTI)

    Gillen-Christandl, Katharina; Copsey, Bert D.

    2011-02-15

    The neutral-atom quantum computing community has successfully implemented almost all necessary steps for constructing a neutral-atom quantum computer. We present computational results of a study aimed at solving the remaining problem of creating a quantum memory with individually addressable sites for quantum computing. The basis of this quantum memory is the diffraction pattern formed by laser light incident on a circular aperture. Very close to the aperture, the diffraction pattern has localized bright and dark spots that can serve as red-detuned or blue-detuned atomic dipole traps. These traps are suitable for quantum computing even for moderate laser powers. In particular, for moderate laser intensities ({approx}100 W/cm{sup 2}) and comparatively small detunings ({approx}1000-10 000 linewidths), trap depths of {approx}1 mK and trap frequencies of several to tens of kilohertz are achieved. Our results indicate that these dipole traps can be moved by tilting the incident laser beams without significantly changing the trap properties. We also explored the polarization dependence of these dipole traps. We developed a code that calculates the trapping potential energy for any magnetic substate of any hyperfine ground state of any alkali-metal atom for any laser detuning much smaller than the fine-structure splitting for any given electric field distribution. We describe details of our calculations and include a summary of different notations and conventions for the reduced matrix element and how to convert it to SI units. We applied this code to these traps and found a method for bringing two traps together and apart controllably without expelling the atoms from the trap and without significant tunneling probability between the traps. This approach can be scaled up to a two-dimensional array of many pinholes, forming a quantum memory with single-site addressability, in which pairs of atoms can be brought together and apart for two-qubit gates for quantum computing.

  2. How Atomic Vibrations Transform Vanadium Dioxide

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

    How Atomic Vibrations Transform Vanadium Dioxide How Atomic Vibrations Transform Vanadium Dioxide Calculations Confirm Material's Potential for Next-Generation Electronics, Energy November 10, 2014 Contact: Dawn Levy, levyd@ornl.gov, 865.576.6448 Budaivibe Vanadium atoms (blue) have unusually large thermal vibrations that stabilize the metallic state of a vanadium dioxide crystal. Red depicts oxygen atoms. Image credit: Oak Ridge National Laboratory For more than 50 years, scientists have

  3. JACKETED FUEL ELEMENT

    DOE Patents [OSTI]

    Wigner, E.P.; Szilard, L.; Creutz, E.C.

    1959-02-01

    These fuel elements are comprised of a homogeneous metallic uranium body completely enclosed and sealed in an aluminum cover. The uranium body and aluminum cover are bonded together by a layer of zinc located between them. The bonding layer serves to improve transfer of heat, provides an additional protection against corrosion of the uranium by the coolant, and also localizes any possible corrosion by preventing travel of corrosive material along the surface of the fuel element.

  4. L{sub g}?=?100?nm In{sub 0.7}Ga{sub 0.3}As quantum well metal-oxide semiconductor field-effect transistors with atomic layer deposited beryllium oxide as interfacial layer

    SciTech Connect (OSTI)

    Koh, D., E-mail: dh.koh@utexas.edu, E-mail: Taewoo.Kim@sematech.org [Department of Electrical and Computer Engineering, Microelectronics Research Center, The University of Texas at Austin, Austin, Texas 78758 (United States); SEMATECH, Inc., Albany, New York 12203 (United States); Kwon, H. M. [Department of Electronics Engineering, Chungnam National University, Daejeon 305-764 (Korea, Republic of); Kim, T.-W., E-mail: dh.koh@utexas.edu, E-mail: Taewoo.Kim@sematech.org; Veksler, D.; Gilmer, D.; Kirsch, P. D. [SEMATECH, Inc., Albany, New York 12203 (United States); Kim, D.-H. [SEMATECH, Inc., Albany, New York 12203 (United States); GLOBALFOUNDRIES, Malta, New York 12020 (United States); Hudnall, Todd W. [Department of Chemistry and Biochemistry, Texas State University, San Marcos, Texas, 78666 (United States); Bielawski, Christopher W. [Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, Texas 78712 (United States); Maszara, W. [GLOBALFOUNDRIES, Santa Clara, California 95054 (United States); Banerjee, S. K. [Department of Electrical and Computer Engineering, Microelectronics Research Center, The University of Texas at Austin, Austin, Texas 78758 (United States)

    2014-04-21

    In this study, we have fabricated nanometer-scale channel length quantum-well (QW) metal-oxide-semiconductor field effect transistors (MOSFETs) incorporating beryllium oxide (BeO) as an interfacial layer. BeO has high thermal stability, excellent electrical insulating characteristics, and a large band-gap, which make it an attractive candidate for use as a gate dielectric in making MOSFETs. BeO can also act as a good diffusion barrier to oxygen owing to its small atomic bonding length. In this work, we have fabricated In{sub 0.53}Ga{sub 0.47}As MOS capacitors with BeO and Al{sub 2}O{sub 3} and compared their electrical characteristics. As interface passivation layer, BeO/HfO{sub 2} bilayer gate stack presented effective oxide thickness less 1 nm. Furthermore, we have demonstrated In{sub 0.7}Ga{sub 0.3}As QW MOSFETs with a BeO/HfO{sub 2} dielectric, showing a sub-threshold slope of 100?mV/dec, and a transconductance (g{sub m,max}) of 1.1 mS/?m, while displaying low values of gate leakage current. These results highlight the potential of atomic layer deposited BeO for use as a gate dielectric or interface passivation layer for IIIV MOSFETs at the 7?nm technology node and/or beyond.

  5. Metalsemiconductor transition in atomically thin Bi{sub 2}Sr{sub 2}Co{sub 2}O{sub 8} nanosheets

    SciTech Connect (OSTI)

    Wang, Yang; Cheng, Rui; Dong, Jianjin; Liu, Yuan; Zhou, Hailong; Yu, Woo Jong; Terasaki, Ichiro; Huang, Yu; Duan, Xiangfeng

    2014-09-01

    Two-dimensional layered materials have attracted considerable attention since the discovery of graphene. Here we demonstrate that the layered Bi{sub 2}Sr{sub 2}Co{sub 2}O{sub 8} (BSCO) can be mechanically exfoliated into single- or few-layer nanosheets. The BSCO nanosheets with four or more layers display bulk metallic characteristics, while the nanosheets with three or fewer layers have a layer-number-dependent semiconducting characteristics. Charge transport in bilayer or trilayer BSCO nanosheets exhibits Mott 2D variable-range-hopping (VRH) conduction throughout 2 K300 K, while the charge transport in monolayers follows the Mott-VRH law above a crossover temperature of 75 K, and is governed by Efros and Shklovskii-VRH laws below 75 K. Disorder potentials and Coulomb charging both contribute to the transport gap of these nanodevices. Our study reveals a distinct layer number-dependent metal-to-semiconductor transition in a new class of 2D materials, and is of great significance for both fundamental investigations and practical devices.

  6. Nuclear fuel element

    DOE Patents [OSTI]

    Armijo, Joseph S.; Coffin, Jr., Louis F.

    1983-01-01

    A nuclear fuel element for use in the core of a nuclear reactor is disclosed and has a composite cladding having a substrate and a metal barrier metallurgically bonded on the inside surface of the substrate so that the metal barrier forms a shield between the substrate and the nuclear fuel material held within the cladding. The metal barrier forms about 1 to about 30 percent of the thickness of the cladding and is comprised of a low neutron absorption metal of substantially pure zirconium. The metal barrier serves as a preferential reaction site for gaseous impurities and fission products and protects the substrate from contact and reaction with such impurities and fission products. The substrate of the composite cladding is selected from conventional cladding materials and preferably is a zirconium alloy. Methods of manufacturing the composite cladding are also disclosed.

  7. Exploration of R2XM2 (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge): Structural Motifs, the novel Compound Gd2AlGe2 and Analysis of the U3Si2 and Zr3Al2 Structure Types

    SciTech Connect (OSTI)

    Sean William McWhorter

    2006-05-01

    In the process of exploring and understanding the influence of crystal structure on the system of compounds with the composition Gd{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} several new compounds were synthesized with different crystal structures, but similar structural features. In Gd{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4}, the main feature of interest is the magnetocaloric effect (MCE), which allows the material to be useful in magnetic refrigeration applications. The MCE is based on the magnetic interactions of the Gd atoms in the crystal structure, which varies with x (the amount of Si in the compound). The crystal structure of Gd{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} can be thought of as being formed from two 3{sup 2}434 nets of Gd atoms, with additional Gd atoms in the cubic voids and Si/Ge atoms in the trigonal prismatic voids. Attempts were made to substitute nonmagnetic atoms for magnetic Gd using In, Mg and Al. Gd{sub 2}MgGe{sub 2} and Gd{sub 2}InGe{sub 2} both possess the same 3{sup 2}434 nets of Gd atoms as Gd{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4}, but these nets are connected differently, forming the Mo{sub 2}FeB{sub 2} crystal structure. A search of the literature revealed that compounds with the composition R{sub 2}XM{sub 2} (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge) crystallize in one of four crystal structures: the Mo{sub 2}FeB{sub 2}, Zr{sub 3}Al{sub 2}, Mn{sub 2}AlB{sub 2} and W{sub 2}CoB{sub 2} crystal structures. These crystal structures are described, and the relationships between them are highlighted. Gd{sub 2}AlGe{sub 2} forms an entirely new crystal structure, and the details of its synthesis and characterization are given. Electronic structure calculations are performed to understand the nature of bonding in this compound and how electrons can be accounted for. A series of electronic structure calculations were performed on models with the U{sub 3}Si{sub 2} and Zr{sub 3}Al{sub 2} structures, using Zr and A1 as

  8. Resistive hydrogen sensing element

    DOE Patents [OSTI]

    Lauf, Robert J.

    2000-01-01

    Systems and methods are described for providing a hydrogen sensing element with a more robust exposed metallization by application of a discontinuous or porous overlay to hold the metallization firmly on the substrate. An apparatus includes: a substantially inert, electrically-insulating substrate; a first Pd containing metallization deposited upon the substrate and completely covered by a substantially hydrogen-impermeable layer so as to form a reference resistor on the substrate; a second Pd containing metallization deposited upon the substrate and at least a partially accessible to a gas to be tested, so as to form a hydrogen-sensing resistor; a protective structure disposed upon at least a portion of the second Pd containing metallization and at least a portion of the substrate to improve the attachment of the second Pd containing metallization to the substrate while allowing the gas to contact said the second Pd containing metallization; and a resistance bridge circuit coupled to both the first and second Pd containing metallizations. The circuit determines the difference in electrical resistance between the first and second Pd containing metallizations. The hydrogen concentration in the gas may be determined. The systems and methods provide advantages because adhesion is improved without adversely effecting measurement speed or sensitivity.

  9. Photovoltaic radiation detector element

    DOE Patents [OSTI]

    Agouridis, Dimitrios C.

    1983-01-01

    A radiation detector element is formed of a body of semiconductor material, a coating on the body which forms a photovoltaic junction therewith, and a current collector consisting of narrow metallic strips, the aforesaid coating having an opening therein the edge of which closely approaches but is spaced from the current collector strips.

  10. JACKETED REACTOR FUEL ELEMENT

    DOE Patents [OSTI]

    Smith, K.F.; Van Thyne, R.J.

    1958-12-01

    A fuel element is described for fast reactors comprised of a core of uranium metal containing material and a jacket around the core, the jacket consisting of from 2.5 to 15 percent of titanium, from 1 to 5 percent of niobium, and from 80 to 96.5 percent of vanadium.

  11. Photovoltaic radiation detector element

    DOE Patents [OSTI]

    Agouridis, D.C.

    1980-12-17

    A radiation detector element is formed of a body of semiconductor material, a coating on the body which forms a photovoltaic junction therewith, and a current collector consisting of narrow metallic strips, the aforesaid coating having an opening therein in the edge of which closely approaches but is spaced from the current collector strips.

  12. Dissolution of inert gas in a metal alloy

    DOE Patents [OSTI]

    Flinn, John E.; Korth, Gary E.; Wright, Richard N.; Clark, Denis E.; Loop, Richard B.

    1988-01-01

    A metal powder is produced by inert gas atomization processes. The atomizon process is regulated to provide a preselected level of inert gas alloyed in the metal.

  13. FUEL ELEMENTS FOR NEUTRONIC REACTORS

    DOE Patents [OSTI]

    Foote, F.G.; Jette, E.R.

    1963-05-01

    A fuel element for a nuclear reactor is described that consists of a jacket containing a unitary core of fissionable material and a filling of a metal of the group consisting of sodium and sodium-potassium alloys. (AEC)

  14. Atom Interferometry

    SciTech Connect (OSTI)

    Mark Kasevich

    2008-05-07

    Atom de Broglie wave interferometry has emerged as a tool capable of addressing a diverse set of questions in gravitational and condensed matter physics, and as an enabling technology for advanced sensors in geodesy and navigation. This talk will review basic principles, then discuss recent applications and future directions. Scientific applications to be discussed include measurement of G (Newton’s constant), tests of the Equivalence Principle and post-Newtonian gravity, and study of the Kosterlitz-Thouless phase transition in layered superfluids. Technology applications include development of precision gryoscopes and gravity gradiometers. The talk will conclude with speculative remarks looking to the future: Can atom interference methods be sued to detect gravity waves? Can non-classical (entangled/squeezed state) atom sources lead to meaningful sensor performance improvements?

  15. Atom Interferometry

    ScienceCinema (OSTI)

    Mark Kasevich

    2010-01-08

    Atom de Broglie wave interferometry has emerged as a tool capable of addressing a diverse set of questions in gravitational and condensed matter physics, and as an enabling technology for advanced sensors in geodesy and navigation. This talk will review basic principles, then discuss recent applications and future directions. Scientific applications to be discussed include measurement of G (Newton?s constant), tests of the Equivalence Principle and post-Newtonian gravity, and study of the Kosterlitz-Thouless phase transition in layered superfluids. Technology applications include development of precision gryoscopes and gravity gradiometers. The talk will conclude with speculative remarks looking to the future: Can atom interference methods be sued to detect gravity waves? Can non-classical (entangled/squeezed state) atom sources lead to meaningful sensor performance improvements?

  16. An atomic orbital-based formulation of analytical gradients and nonadiabatic coupling vector elements for the state-averaged complete active space self-consistent field method on graphical processing units

    SciTech Connect (OSTI)

    Snyder, James W.; Hohenstein, Edward G.; Luehr, Nathan; Martínez, Todd J.

    2015-10-21

    We recently presented an algorithm for state-averaged complete active space self-consistent field (SA-CASSCF) orbital optimization that capitalizes on sparsity in the atomic orbital basis set to reduce the scaling of computational effort with respect to molecular size. Here, we extend those algorithms to calculate the analytic gradient and nonadiabatic coupling vectors for SA-CASSCF. Combining the low computational scaling with acceleration from graphical processing units allows us to perform SA-CASSCF geometry optimizations for molecules with more than 1000 atoms. The new approach will make minimal energy conical intersection searches and nonadiabatic dynamics routine for molecular systems with O(10{sup 2}) atoms.

  17. Electroless Atomic Layer Deposition: A Scalable Approach to Surface...

    Office of Scientific and Technical Information (OSTI)

    Title: Electroless Atomic Layer Deposition: A Scalable Approach to Surface Modified Metal Powders. Abstract not provided. Authors: Cappillino, Patrick ; Robinson, David ; El Gabaly ...

  18. Atomic Layer Deposition for Stabilization of Amorphous Silicon...

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

    More Documents & Publications Nanostructured Metal Oxide Anodes Atomic Layer Deposition for Stabilization of Silicon Anodes Development of Industrially Viable Battery Electrode ...

  19. The Electronic Structure of Oxygen Atom Vacancy and Hydroxyl...

    Office of Scientific and Technical Information (OSTI)

    Title: The Electronic Structure of Oxygen Atom Vacancy and Hydroxyl Impurity Defects on Titanium Dioxide (110) Surface Introducing a charge into a solid such as a metal oxide ...

  20. Nuclear fuel element

    DOE Patents [OSTI]

    Armijo, Joseph S.; Coffin, Jr., Louis F.

    1980-04-29

    A nuclear fuel element for use in the core of a nuclear reactor is disclosed and has an improved composite cladding comprised of a moderate purity metal barrier of zirconium metallurgically bonded on the inside surface of a zirconium alloy tube. The metal barrier forms a shield between the alloy tube and a core of nuclear fuel material enclosed in the composite cladding. There is a gap between the cladding and the core. The metal barrier forms about 1 to about 30 percent of the thickness of the composite cladding and has low neutron absorption characteristics. The metal barrier serves as a preferential reaction site for gaseous impurities and fission products and protects the alloy tube from contact and reaction with such impurities and fission products. Methods of manufacturing the composite cladding are also disclosed.

  1. Tuning From Half-Metallic to Semiconducting Behavior in SiC Nanoribbons

    SciTech Connect (OSTI)

    Lopez-Benzanilla, Alejandro; Huang, Jingsong; Kent, Paul R; Sumpter, Bobby G

    2013-01-01

    Half-metallic nanoscale conductors, highly sought after for spintronic applications, are usually realized through metal elements, chemical doping, or external electric fields. By means of local and hybrid density functional theory calculations, we identify pristine zigzag silicon carbide nanoribbons (zSiC-NRs) with bare edges as a metal-free monolayered material that exhibits intrinsic half-metallic behavior without chemical doping or external electric field. Ab initio molecular dynamics simulations indicate that the half-metallicity is robust at room temperature. We also demonstrate that edge termination with O and S atoms transforms the zSiC-NRs into a full metal or a semiconducting material, respectively, due to the presence of O dimerization only on the Si edge and of S trimerization on both Si and C edges, the latter being driven by an unusual Peierls-like distortion along the functionalizing S atoms. The rich electronic properties displayed by zSiC-NRs may open new perspectives for spintronic applications using layered, metal-free, and light atom material.

  2. 2.10 Heavy Element Chemistry

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

    6 6/1/2011 2.10 Heavy Element Chemistry For more than 50 years, the Office of Science and predecessor agencies have supported the discovery and study of the actinide elements, in particular the transuranium elements-atoms that are heavier than uranium. Glenn Seaborg and Ed McMillan of the Lawrence Berkeley National Laboratory, 1951 Nobel Laureates in Chemistry for the discovery of plutonium and other actinide elements, began this quest. Today, the Heavy Element Chemistry program continues the

  3. Alkali metal ion battery with bimetallic electrode

    DOE Patents [OSTI]

    Boysen, Dane A; Bradwell, David J; Jiang, Kai; Kim, Hojong; Ortiz, Luis A; Sadoway, Donald R; Tomaszowska, Alina A; Wei, Weifeng; Wang, Kangli

    2015-04-07

    Electrochemical cells having molten electrodes having an alkali metal provide receipt and delivery of power by transporting atoms of the alkali metal between electrode environments of disparate chemical potentials through an electrochemical pathway comprising a salt of the alkali metal. The chemical potential of the alkali metal is decreased when combined with one or more non-alkali metals, thus producing a voltage between an electrode comprising the molten the alkali metal and the electrode comprising the combined alkali/non-alkali metals.

  4. Density functional theory calculations of stability and diffusion mechanisms of impurity atoms in Ge crystals

    SciTech Connect (OSTI)

    Maeta, Takahiro; Sueoka, Koji

    2014-08-21

    Ge-based substrates are being developed for applications in advanced nano-electronic devices because of their higher intrinsic carrier mobility than Si. The stability and diffusion mechanism of impurity atoms in Ge are not well known in contrast to those of Si. Systematic studies of the stable sites of 2nd to 6th row element impurity atoms in Ge crystal were undertaken with density functional theory (DFT) and compared with those in Si crystal. It was found that most of the impurity atoms in Ge were stable at substitutional sites, while transition metals in Si were stable at interstitial sites and the other impurity atoms in Si were stable at substitutional sites. Furthermore, DFT calculations were carried out to clarify the mechanism responsible for the diffusion of impurity atoms in Ge crystals. The diffusion mechanism for 3d transition metals in Ge was found to be an interstitial-substitutional diffusion mechanism, while in Si this was an interstitial diffusion mechanism. The diffusion barriers in the proposed diffusion mechanisms in Ge and Si were quantitatively verified by comparing them to the experimental values in the literature.

  5. The Origin of the Elements

    SciTech Connect (OSTI)

    Murphy, Edward

    2012-11-20

    The world around us is made of atoms. Did you ever wonder where these atoms came from? How was the gold in our jewelry, the carbon in our bodies, and the iron in our cars made? In this lecture, we will trace the origin of a gold atom from the Big Bang to the present day, and beyond. You will learn how the elements were forged in the nuclear furnaces inside stars, and how, when they die, these massive stars spread the elements into space. You will learn about the origin of the building blocks of matter in the Big Bang, and we will speculate on the future of the atoms around us today.

  6. The Origin of the Elements

    ScienceCinema (OSTI)

    Murphy, Edward

    2014-08-06

    The world around us is made of atoms. Did you ever wonder where these atoms came from? How was the gold in our jewelry, the carbon in our bodies, and the iron in our cars made? In this lecture, we will trace the origin of a gold atom from the Big Bang to the present day, and beyond. You will learn how the elements were forged in the nuclear furnaces inside stars, and how, when they die, these massive stars spread the elements into space. You will learn about the origin of the building blocks of matter in the Big Bang, and we will speculate on the future of the atoms around us today.

  7. sp3-hybridized framework structure of group-14 elements discovered...

    Office of Scientific and Technical Information (OSTI)

    with energy band gaps close to the optimal values for optoelectronic or photovoltaic applications. With metal-atom encapsulation, the P42mnm structure would also be a...

  8. Method of producing microporous joints in metal bodies

    DOE Patents [OSTI]

    Danko, Joseph C. (Danville, CA)

    1982-01-01

    Tungsten is placed in contact with either molybdenum, tantalum, niobium, vanadium, rhenium, or other metal of atoms having a different diffusion coefficient than tungsten. The metals are heated so that the atoms having the higher diffusion coefficient migrate to the metal having the lower diffusion rate, leaving voids in the higher diffusion coefficient metal. Heating is continued until the voids are interconnected.

  9. Atomically Thin Metallic Boron | Argonne National Laboratory

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

    Andrew Mannix and Nathan Guisinger examine a boron evaporator while Brandon Fisher checks cryogen flow settings and Brian Kiraly examines a sample next to a vacuum chamber loadlock at the Center for Nanoscale Materials. Photo by Mark Lopez / Argonne National Laboratory. Andrew Mannix and Nathan Guisinger examine a boron evaporator while Brandon Fisher checks cryogen flow settings and Brian Kiraly examines a sample next to a vacuum chamber loadlock at the Center for Nanoscale Materials. Photo by

  10. FUEL ELEMENTS FOR NUCLEAR REACTORS

    DOE Patents [OSTI]

    Blainey, A.; Lloyd, H.

    1961-07-11

    A method of sheathing a tubular fuel element for a nuclear reactor is described. A low melting metal core member is centered in a die, a layer of a powdered sheathing substance is placed on the bottom of the die, the tubular fuel element is inserted in the die, the space between the tubular fuel element and the die walls and core member is filled with the same powdered sheathing substance, a layer of the same substance is placed over the fissile material, and the charge within the die is subjected to pressure in the direction of the axis of the fuel element at the sintering temperature of the protective substance.

  11. Nuclear fuel element

    DOE Patents [OSTI]

    Zocher, Roy W.

    1991-01-01

    A nuclear fuel element and a method of manufacturing the element. The fuel element is comprised of a metal primary container and a fuel pellet which is located inside it and which is often fragmented. The primary container is subjected to elevated pressure and temperature to deform the container such that the container conforms to the fuel pellet, that is, such that the container is in substantial contact with the surface of the pellet. This conformance eliminates clearances which permit rubbing together of fuel pellet fragments and rubbing of fuel pellet fragments against the container, thus reducing the amount of dust inside the fuel container and the amount of dust which may escape in the event of container breach. Also, as a result of the inventive method, fuel pellet fragments tend to adhere to one another to form a coherent non-fragmented mass; this reduces the tendency of a fragment to pierce the container in the event of impact.

  12. MeRNA: a Database of Metal Ion Binding Sites in RNAStructures

    SciTech Connect (OSTI)

    Stefan, Liliana R.; Zhang, Rui; Levitan, Aaron G.; Hendrix, DonnaF.; Brenner, Steven E.; Holbrook, Stephen R.

    2005-10-05

    Metal ions are essential for the folding of RNA into stable tertiary structures and for the catalytic activity of some RNA enzymes. To aid in the study of the roles of metal ions in RNA structural biology, we have created MeRNA (Metals in RNA), a comprehensive compilation of all metal binding sites identified in RNA three-dimensional structures available from the Protein Data Bank (PDB) and Nucleic Acid Database (NDB). Currently, our database contains information relating to binding of 9764 metal ions corresponding to 23 distinct elements; in 256 RNA structures. The metal ion locations were confirmed and ligands characterized using original literature references. MeRNA includes eight manually identified metal-ion binding motifs, which are described in the literature. MeRNA is searchable by PDB identifier, metal ion, method of structure determination, resolution and R-values for X-ray structure, and distance from metal to any RNA atom or to water. New structures with their respective binding motifs will be added to the database as they become available. The MeRNA database will further our understanding of the roles of metal ions in RNA folding and catalysis and have applications in structural and functional analysis, RNA design and engineering.

  13. Non-stoichiometric AB5 alloys for metal hydride electrodes

    DOE Patents [OSTI]

    Reilly, James J.; Adzic, Gordana D.; Johnson, John R.; Vogt, Thomas; McBreen, James

    2001-01-01

    The present invention provides a non-stoichiometric alloy comprising a composition having the formula AB.sub.5+X an atomic ratio wherein A is selected from the group consisting of the rare earth metals, yttrium, mischmetal, or a combination thereof; B is nickel and tin, or nickel and tin and at least a third element selected from the group consisting of the elements in group IVA of the periodic table, aluminum, manganese, iron, cobalt, copper, antimony or a combination thereof; X is greater than 0 and less than or equal to about 2.0; and wherein at least one substituted A site is occupied by at least one of the B elements. An electrode incorporating said alloy and an electrochemical cell incorporating said electrode are also described.

  14. Metallic glass could make your next cell phone harder to break

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

    Metallic glass could make your next cell phone harder to break Alumni Link: Opportunities, News and Resources for Former Employees Latest Issue:September 2015 all issues All Issues » submit Metallic glass could make your next cell phone harder to break Lab researcher works to rearrange the atoms in metals June 20, 2014 New insights to changing the atomic structure of metals New insights to changing the atomic structure of metals Contact Linda Anderman Email Metal and glass objects are all

  15. De novo design of ligands for metal separation. Annual progress report, September 15, 1996--September 14, 1997

    SciTech Connect (OSTI)

    1997-01-01

    'The specific aim of this report is to parameterize force field to reproduce geometries and relative energetics of metal-ligand complexes for cesium, strontium, plutonium, uranium, americium and other relevent alkali, transition, lanthanide and actinide metals. As an initial attempt to examine parametrization, Dr. Yasuo Takeuchi has examined parameters for iron in combination with the molecular mechanics force field. The authors realize that most of the current ad hoc methodogies used to model metal interactions in the past do not have a firm theoretical foundation for modeling the d and f orbitals. They have, therefore, started a collaboration with Prof. Anders Carlsson of the Department of Physics to provide a theoretically correct functional form for the metal force field. Prof. Carlsson has an extensive track record in the derivation of the form of angular force fields from analysis of the quantum-mechanical electronic structure. His most important related works have treated the angular forces around transition-metal (TM) atoms in an aluminum host, the angular forces in elemental bcc transition metals, and the origins of angular and torsional forces in well-bonded s-p systems. They propose to apply the basic ideas of these calculations to developing force laws for transition metal ions in biomolecules. Of particular relevance to the proposed work is his study analyzing angular forces around transition metal (TM) atoms embedded in an aluminum host. Such TM atoms have a profound effect on the host structure, often entirely reassembling the host structure in order to satisfy the angular bonding constraints around the TM atoms. For example, at a concentration of only 1 {approximately} TM to 12 {approximately} Al, the transition metals Mn, Mo, Tc, W, and Re form the Al{sup 12}W structure, in which the underlying fcc aluminum lattice is disassembled and reassembled into icosahedra which surround the transition-metal atoms. The Al{sup 12}W structure is a body

  16. METHOD OF MAKING FUEL ELEMENTS

    DOE Patents [OSTI]

    Bean, C.H.; Macherey, R.E.

    1959-12-01

    A method is described for fabricating fuel elements, particularly for enclosing a plate of metal with a second metal by inserting the plate into an aperture of a frame of a second plate, placing a sheet of the second metal on each of opposite faces of the assembled plate and frame, purging with an inert gas the air from the space within the frame and the sheets while sealing the seams between the frame and the sheets, exhausting the space, purging the space with air, re-exhausting the spaces, sealing the second aperture, and applying heat and pressure to bond the sheets, the plate, and the frame to one another.

  17. FUEL ELEMENT

    DOE Patents [OSTI]

    Bean, R.W.

    1963-11-19

    A ceramic fuel element for a nuclear reactor that has improved structural stability as well as improved cooling and fission product retention characteristics is presented. The fuel element includes a plurality of stacked hollow ceramic moderator blocks arranged along a tubular raetallic shroud that encloses a series of axially apertured moderator cylinders spaced inwardly of the shroud. A plurality of ceramic nuclear fuel rods are arranged in the annular space between the shroud and cylinders of moderator and appropriate support means and means for directing gas coolant through the annular space are also provided. (AEC)

  18. Pseudopotentials for quantum Monte Carlo studies of transition metal oxides

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

    Krogel, Jaron T.; Santana Palacio, Juan A.; Reboredo, Fernando A.

    2016-02-22

    Quantum Monte Carlo (QMC) calculations of transition metal oxides are partially limited by the availability of high-quality pseudopotentials that are both accurate in QMC and compatible with major plane-wave electronic structure codes. We have generated a set of neon-core pseudopotentials with small cutoff radii for the early transition metal elements Sc to Zn within the local density approximation of density functional theory. The pseudopotentials have been directly tested for accuracy within QMC by calculating the first through fourth ionization potentials of the isolated transition metal (M) atoms and the binding curve of each M-O dimer. We find the ionization potentialsmore » to be accurate to 0.16(1) eV, on average, relative to experiment. The equilibrium bond lengths of the dimers are within 0.5(1)% of experimental values, on average, and the binding energies are also typically accurate to 0.18(3) eV. The level of accuracy we find for atoms and dimers is comparable to what has recently been observed for bulk metals and oxides using the same pseudopotentials. Our QMC pseudopotential results compare well with the findings of previous QMC studies and benchmark quantum chemical calculations.« less

  19. Metal working lubricant compositions

    SciTech Connect (OSTI)

    Andress, H.J.; Davis, R.H.; Schick, J.W.

    1981-08-11

    A lubricant concentrate for use in metal processing comprises a sulfur compound such as a sulfurized olefin or sulfurized mineral oil and an ester prepared from a fatty acid having 12 to 40 carbon atoms or the dimer thereof or a polyalkenylsuccinic acid or anhydride and a hydroxyl-containing amine.

  20. A New Gap-Opening Mechanism in a Triple-Band Metal

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

    on 1D metals has been enriched by the synthesis of quite novel materials, of which carbon nanotubes and metallic atomic wires on surfaces are recent examples. Atomic structure...

  1. Atomic Chemistry in Turbulent Media I: Effect of Atomic Cooling...

    Office of Scientific and Technical Information (OSTI)

    Atomic Chemistry in Turbulent Media I: Effect of Atomic Cooling Citation Details In-Document Search Title: Atomic Chemistry in Turbulent Media I: Effect of Atomic Cooling Authors: ...

  2. FUEL ELEMENT CONSTRUCTION

    DOE Patents [OSTI]

    Zumwalt, L.R.

    1961-08-01

    Fuel elements having a solid core of fissionable material encased in a cladding material are described. A conversion material is provided within the cladding to react with the fission products to form stable, relatively non- volatile compounds thereby minimizing the migration of the fission products into the coolant. The conversion material is preferably a metallic fluoride, such as lead difluoride, and may be in the form of a coating on the fuel core or interior of the cladding, or dispersed within the fuel core. (AEC)

  3. Lesson 3 - Atoms and Isotopes | Department of Energy

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

    3 - Atoms and Isotopes Lesson 3 - Atoms and Isotopes You've probably heard people refer to nuclear energy as "atomic energy." Why? Nuclear energy is the energy that is stored in the bonds of atoms, inside the nucleus. Nuclear power plants are designed to capture this energy as heat and convert it to electricity. This lesson looks closely at what atoms are and how atoms store energy. This lesson covers the following topics: Matter Molecules Elements Chemical reaction Periodic table The

  4. Atom Trajectory Viewer

    Energy Science and Technology Software Center (OSTI)

    2015-12-28

    Atom Trajectory Viewer is a visualization tool developed to enable interactive exploration of atomic trajectories and corresponding statistics in molecular dynamics.

  5. Spray casting of metallic preforms

    DOE Patents [OSTI]

    Flinn, John E.; Burch, Joseph V.; Sears, James W.

    2000-01-01

    A metal alloy is melted in a crucible and ejected from the bottom of the crucible as a descending stream of molten metal. The descending stream is impacted with a plurality of primary inert gas jets surrounding the molten metal stream to produce a plume of atomized molten metal droplets. An inert gas is blown onto a lower portion of the plume with a plurality of auxiliary inert gas jets to deflect the plume into a more restricted pattern of high droplet density, thereby substantially eliminating unwanted overspray and resulting wasted material. The plume is projected onto a moving substrate to form a monolithic metallic product having generally parallel sides.

  6. Sensing mode atomic force microscope

    DOE Patents [OSTI]

    Hough, Paul V. C.; Wang, Chengpu

    2003-01-01

    An atomic force microscope utilizes a pulse release system and improved method of operation to minimize contact forces between a probe tip affixed to a flexible cantilever and a specimen being measured. The pulse release system includes a magnetic particle affixed proximate the probe tip and an electromagnetic coil. When energized, the electromagnetic coil generates a magnetic field which applies a driving force on the magnetic particle sufficient to overcome adhesive forces exhibited between the probe tip and specimen. The atomic force microscope includes two independently displaceable piezo elements operable along a Z-axis. A controller drives the first Z-axis piezo element to provide a controlled approach between the probe tip and specimen up to a point of contact between the probe tip and specimen. The controller then drives the first Z-axis piezo element to withdraw the cantilever from the specimen. The controller also activates the pulse release system which drives the probe tip away from the specimen during withdrawal. Following withdrawal, the controller adjusts the height of the second Z-axis piezo element to maintain a substantially constant approach distance between successive samples.

  7. Quinary metallic glass alloys

    DOE Patents [OSTI]

    Lin, X.; Johnson, W.L.

    1998-04-07

    At least quinary alloys form metallic glass upon cooling below the glass transition temperature at a rate less than 10{sup 3}K/s. Such alloys comprise zirconium and/or hafnium in the range of 45 to 65 atomic percent, titanium and/or niobium in the range of 4 to 7.5 atomic percent, and aluminum and/or zinc in the range of 5 to 15 atomic percent. The balance of the alloy compositions comprise copper, iron, and cobalt and/or nickel. The composition is constrained such that the atomic percentage of iron is less than 10 percent. Further, the ratio of copper to nickel and/or cobalt is in the range of from 1:2 to 2:1. The alloy composition formula is: (Zr,Hf){sub a}(Al,Zn){sub b}(Ti,Nb){sub c}(Cu{sub x}Fe{sub y}(Ni,Co){sub z}){sub d} wherein the constraints upon the formula are: a ranges from 45 to 65 atomic percent, b ranges from 5 to 15 atomic percent, c ranges from 4 to 7.5 atomic percent, d comprises the balance, d{hor_ellipsis}y is less than 10 atomic percent, and x/z ranges from 0.5 to 2.

  8. Quinary metallic glass alloys

    DOE Patents [OSTI]

    Lin, Xianghong; Johnson, William L.

    1998-01-01

    At least quinary alloys form metallic glass upon cooling below the glass transition temperature at a rate less than 10.sup.3 K/s. Such alloys comprise zirconium and/or hafnium in the range of 45 to 65 atomic percent, titanium and/or niobium in the range of 4 to 7.5 atomic percent, and aluminum and/or zinc in the range of 5 to 15 atomic percent. The balance of the alloy compositions comprise copper, iron, and cobalt and/or nickel. The composition is constrained such that the atomic percentage of iron is less than 10 percent. Further, the ratio of copper to nickel and/or cobalt is in the range of from 1:2 to 2:1. The alloy composition formula is: (Zr,Hf).sub.a (Al,Zn).sub.b (Ti,Nb).sub.c (Cu.sub.x Fe.sub.y (Ni,Co).sub.z).sub.d wherein the constraints upon the formula are: a ranges from 45 to 65 atomic percent, b ranges from 5 to 15 atomic percent, c ranges from 4 to 7.5 atomic percent, d comprises the balance, d.multidot.y is less than 10 atomic percent, and x/z ranges from 0.5 to 2.

  9. Studies of Flerovium and Element 115 Homologs with Macrocyclic Extractants

    SciTech Connect (OSTI)

    Despotopulos, John D.

    2015-03-12

    Study of the chemistry of the heaviest elements, Z ≥ 104, poses a unique challenge due to their low production cross-sections and short half-lives. Chemistry also must be studied on the one-atom-at-a-time scale, requiring automated, fast, and very efficient chemical schemes. Recent studies of the chemical behavior of copernicium (Cn, element 112) and flerovium (Fl, element 114) together with the discovery of isotopes of these elements with half-lives suitable for chemical studies have spurred a renewed interest in the development of rapid systems designed to study the chemical properties of elements with Z ≥ 114. This dissertation explores both extraction chromatography and solvent extraction as methods for development of a rapid chemical separation scheme for the homologs of flerovium (Pb, Sn, Hg) and element 115 (Bi, Sb), with the goal of developing a chemical scheme that, in the future, can be applied to on-line chemistry of both Fl and element 115. Carrier-free radionuclides, used in these studies, of the homologs of Fl and element 115 were obtained by proton activation of high-purity metal foils at the Lawrence Livermore National Laboratory (LLNL) Center for Accelerator Mass Spectrometry (CAMS): natIn(p,n)113Sn, natSn(p,n)124Sb, and Au(p,n)197m,gHg. The carrier-free activity was separated from the foils by novel separation schemes based on ion exchange and extraction chromatography techniques. Carrier-free Pb and Bi isotopes were obtained from development of a novel generator based on cation exchange chromatography using the 232U parent to generate 212Pb and 212Bi. Macrocyclic extractants, specifically crown ethers and their derivatives, were chosen for these studies; crown ethers show high selectivity for metal ions. Finally. a potential chemical system for Fl was established based on the Eichrom Pb resin, and insight to an improved system based on thiacrown ethers is

  10. Composite oxygen ion transport element

    DOE Patents [OSTI]

    Chen, Jack C.; Besecker, Charles J.; Chen, Hancun; Robinson, Earil T.

    2007-06-12

    A composite oxygen ion transport element that has a layered structure formed by a dense layer to transport oxygen ions and electrons and a porous support layer to provide mechanical support. The dense layer can be formed of a mixture of a mixed conductor, an ionic conductor, and a metal. The porous support layer can be fabricated from an oxide dispersion strengthened metal, a metal-reinforced intermetallic alloy, a boron-doped Mo.sub.5Si.sub.3-based intermetallic alloy or combinations thereof. The support layer can be provided with a network of non-interconnected pores and each of said pores communicates between opposite surfaces of said support layer. Such a support layer can be advantageously employed to reduce diffusion resistance in any type of element, including those using a different material makeup than that outlined above.

  11. Atomic and electronic structure of Pd{sub 40}Ni{sub 40}P{sub...

    Office of Scientific and Technical Information (OSTI)

    (M) atoms and form a polar covalently bonded random network of P-M-P favoring certain angles. The remaining M atoms act as metallic glue with a tendency of nanoscale clustering of...

  12. Polymer quenched prealloyed metal powder

    DOE Patents [OSTI]

    Hajaligol, Mohammad R.; Fleischhauer, Grier; German, Randall M.

    2001-01-01

    A powder metallurgical process of preparing a sheet from a powder having an intermetallic alloy composition such as an iron, nickel or titanium aluminide. The sheet can be manufactured into electrical resistance heating elements having improved room temperature ductility, electrical resistivity, cyclic fatigue resistance, high temperature oxidation resistance, low and high temperature strength, and/or resistance to high temperature sagging. The iron aluminide has an entirely ferritic microstructure which is free of austenite and can include, in weight %, 4 to 32% Al, and optional additions such as .ltoreq.1% Cr, .gtoreq.0.05% Zr .ltoreq.2% Ti, .ltoreq.2% Mo, .ltoreq.1% Ni, .ltoreq.0.75% C, .ltoreq.0.1% B, .ltoreq.1% submicron oxide particles and/or electrically insulating or electrically conductive covalent ceramic particles, .ltoreq.1% rare earth metal, and/or .ltoreq.3 % Cu. The process includes forming a non-densified metal sheet by consolidating a powder having an intermetallic alloy composition such as by roll compaction, tape casting or plasma spraying, forming a cold rolled sheet by cold rolling the non-densified metal sheet so as to increase the density and reduce the thickness thereof and annealing the cold rolled sheet. The powder can be a water, polymer or gas atomized powder which is subjecting to sieving and/or blending with a binder prior to the consolidation step. After the consolidation step, the sheet can be partially sintered. The cold rolling and/or annealing steps can be repeated to achieve the desired sheet thickness and properties. The annealing can be carried out in a vacuum furnace with a vacuum or inert atmosphere. During final annealing, the cold rolled sheet recrystallizes to an average grain size of about 10 to 30 .mu.m. Final stress relief annealing can be carried out in the B2 phase temperature range.

  13. Method for decontamination of radioactive metal surfaces

    DOE Patents [OSTI]

    Bray, Lane A.

    1996-01-01

    Disclosed is a method for removing radioactive contaminants from metal surfaces by applying steam containing an inorganic acid and cerium IV. Cerium IV is applied to contaminated metal surfaces by introducing cerium IV in solution into a steam spray directed at contaminated metal surfaces. Cerium IV solution is converted to an essentially atomized or vapor phase by the steam.

  14. Method for decontamination of radioactive metal surfaces

    DOE Patents [OSTI]

    Bray, L.A.

    1996-08-13

    Disclosed is a method for removing radioactive contaminants from metal surfaces by applying steam containing an inorganic acid and cerium IV. Cerium IV is applied to contaminated metal surfaces by introducing cerium IV in solution into a steam spray directed at contaminated metal surfaces. Cerium IV solution is converted to an essentially atomized or vapor phase by the steam.

  15. Using support vector machines to improve elemental ion identification in macromolecular crystal structures

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

    Morshed, Nader; Echols, Nathaniel; Adams, Paul D.

    2015-04-25

    In the process of macromolecular model building, crystallographers must examine electron density for isolated atoms and differentiate sites containing structured solvent molecules from those containing elemental ions. This task requires specific knowledge of metal-binding chemistry and scattering properties and is prone to error. A method has previously been described to identify ions based on manually chosen criteria for a number of elements. Here, the use of support vector machines (SVMs) to automatically classify isolated atoms as either solvent or one of various ions is described. Two data sets of protein crystal structures, one containing manually curated structures deposited with anomalousmore » diffraction data and another with automatically filtered, high-resolution structures, were constructed. On the manually curated data set, an SVM classifier was able to distinguish calcium from manganese, zinc, iron and nickel, as well as all five of these ions from water molecules, with a high degree of accuracy. Additionally, SVMs trained on the automatically curated set of high-resolution structures were able to successfully classify most common elemental ions in an independent validation test set. This method is readily extensible to other elemental ions and can also be used in conjunction with previous methods based on a priori expectations of the chemical environment and X-ray scattering.« less

  16. Using support vector machines to improve elemental ion identification in macromolecular crystal structures

    SciTech Connect (OSTI)

    Morshed, Nader; Echols, Nathaniel; Adams, Paul D.

    2015-04-25

    In the process of macromolecular model building, crystallographers must examine electron density for isolated atoms and differentiate sites containing structured solvent molecules from those containing elemental ions. This task requires specific knowledge of metal-binding chemistry and scattering properties and is prone to error. A method has previously been described to identify ions based on manually chosen criteria for a number of elements. Here, the use of support vector machines (SVMs) to automatically classify isolated atoms as either solvent or one of various ions is described. Two data sets of protein crystal structures, one containing manually curated structures deposited with anomalous diffraction data and another with automatically filtered, high-resolution structures, were constructed. On the manually curated data set, an SVM classifier was able to distinguish calcium from manganese, zinc, iron and nickel, as well as all five of these ions from water molecules, with a high degree of accuracy. Additionally, SVMs trained on the automatically curated set of high-resolution structures were able to successfully classify most common elemental ions in an independent validation test set. This method is readily extensible to other elemental ions and can also be used in conjunction with previous methods based on a priori expectations of the chemical environment and X-ray scattering.

  17. Programmatic Elements

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

    2007-07-11

    The Guide provides acceptable methods of meeting the requirements of DOE O 151.1C for programmatic elements that sustain the emergency management program and maintain the readiness of the program to respond to an emergency. Supersedes DOE G 151.1-1, Volume 5-1, DOE G 151.1-1, Volume 5-2, DOE G 151.1-1, Volume 5-3, DOE G 151.1-1, Volume 5-4, DOE G 151.1-1, Volume 7-1, and DOE G 151.1-1, Volume 7-3.

  18. Comparison of methods for leaching heavy metals from composts

    SciTech Connect (OSTI)

    Ciba, Jerzy; Zolotajkin, Maria; Kluczka, Joanna; Loska, Krzysztof; Cebula, Jan

    2003-07-01

    This paper presents the determination of total iron, copper, zinc, chromium, nickel, lead, cadmium and mercury contents in the compost obtained from sorted municipal organic solid waste applying the following methods of sample mineralization: 40% hydrofluoric acid with preliminary incineration of a sample, a mixture of concentrated nitric(V) and chloric(VII) acids with preliminary incineration of organic matter and a mixture of nitric(V) and chloric(VII) acids without sample incineration. The speciation analysis of Tessier was used to estimate the bioavailability of the metals. Elution degrees of the mobile forms of the metals from the compost with 10% nitric(V) acid and 1 mol/dm{sup 3} hydrochloric acid were compared. The contents of the elements in the eluates were determined applying atomic absorption spectrometry.

  19. Arc plasma generator of atomic driver for steady-state negative ion source

    SciTech Connect (OSTI)

    Ivanov, A. A.; Belchenko, Yu. I.; Davydenko, V. I.; Novosibirsk State University, Novosibirsk ; Ivanov, I. A.; Kolmogorov, V. V.; Listopad, A. A. Mishagin, V. V.; Shulzhenko, G. I.; Putvinsky, S. V.; Smirnov, A.

    2014-02-15

    The paper reviews the results of development of steady-state arc-discharge plasma generator with directly heated LaB{sub 6} cathode. This arc-discharge plasma generator produces a plasma jet which is to be converted into an atomic one after recombination on a metallic plate. The plate is electrically biased relative to the plasma in order to control the atom energies. Such an intensive jet of hydrogen atoms can be used in negative ion sources for effective production of negative ions on a cesiated surface of plasma grid. All elements of the plasma generator have an augmented water cooling to operate in long pulse mode or in steady state. The thermo-mechanical stresses and deformations of the most critical elements of the plasma generator were determined by simulations. Magnetic field inside the discharge chamber was optimized to reduce the local power loads. The first tests of the steady-state arc plasma generator prototype have performed in long-pulse mode.

  20. Memristor using a transition metal nitride insulator

    DOE Patents [OSTI]

    Stevens, James E; Marinella, Matthew; Lohn, Andrew John

    2014-10-28

    Apparatus is disclosed in which at least one resistive switching element is interposed between at least a first and a second conducting electrode element. The resistive switching element comprises a metal oxynitride. A method for making such a resistive switching element is also disclosed.

  1. Ruthenium / aerogel nanocomposits via Atomic Layer Deposition

    SciTech Connect (OSTI)

    Biener, J; Baumann, T F; Wang, Y; Nelson, E J; Kucheyev, S O; Hamza, A V; Kemell, M; Ritala, M; Leskela, M

    2006-08-28

    We present a general approach to prepare metal/aerogel nanocomposites via template directed atomic layer deposition (ALD). In particular, we used a Ru ALD process consisting of alternating exposures to bis(cyclopentadienyl)ruthenium (RuCp{sub 2}) and air at 350 C to deposit metallic Ru nanoparticles on the internal surfaces of carbon and silica aerogels. The process does not affect the morphology of the aerogel template and offers excellent control over metal loading by simply adjusting the number of ALD cycles. We also discuss the limitations of our ALD approach, and suggest ways to overcome these.

  2. Atomization methods for forming magnet powders

    DOE Patents [OSTI]

    Sellers, Charles H.; Branagan, Daniel J.; Hyde, Timothy A.

    2000-01-01

    The invention encompasses methods of utilizing atomization, methods for forming magnet powders, methods for forming magnets, and methods for forming bonded magnets. The invention further encompasses methods for simulating atomization conditions. In one aspect, the invention includes an atomization method for forming a magnet powder comprising: a) forming a melt comprising R.sub.2.1 Q.sub.13.9 B.sub.1, Z and X, wherein R is a rare earth element; X is an element selected from the group consisting of carbon, nitrogen, oxygen and mixtures thereof; Q is an element selected from the group consisting of Fe, Co and mixtures thereof; and Z is an element selected from the group consisting of Ti, Zr, Hf and mixtures thereof; b) atomizing the melt to form generally spherical alloy powder granules having an internal structure comprising at least one of a substantially amorphous phase or a substantially nanocrystalline phase; and c) heat treating the alloy powder to increase an energy product of the alloy powder; after the heat treatment, the alloy powder comprising an energy product of at least 10 MGOe. In another aspect, the invention includes a magnet comprising R, Q, B, Z and X, wherein R is a rare earth element; X is an element selected from the group consisting of carbon, nitrogen, oxygen and mixtures thereof; Q is an element selected from the group consisting of Fe, Co and mixtures thereof; and Z is an element selected from the group consisting of Ti, Zr, Hf and mixtures thereof; the magnet comprising an internal structure comprising R.sub.2.1 Q.sub.13.9 B.sub.1.

  3. Ternary alkali-metal and transition metal or metalloid acetylides as alkali-metal intercalation electrodes for batteries

    DOE Patents [OSTI]

    Nemeth, Karoly; Srajer, George; Harkay, Katherine C; Terdik, Joseph Z

    2015-02-10

    Novel intercalation electrode materials including ternary acetylides of chemical formula: A.sub.nMC.sub.2 where A is alkali or alkaline-earth element; M is transition metal or metalloid element; C.sub.2 is reference to the acetylide ion; n is an integer that is 0, 1, 2, 3 or 4 when A is alkali element and 0, 1, or 2 when A is alkaline-earth element. The alkali elements are Lithium (Li), Sodium (Na), Potassium (K), Rubidium (Rb), Cesium (Cs) and Francium (Fr). The alkaline-earth elements are Berilium (Be), Magnesium (Mg), Calcium (Ca), Strontium (Sr), Barium (Ba), and Radium (Ra). M is a transition metal that is any element in groups 3 through 12 inclusive on the Periodic Table of Elements (elements 21 (Sc) to element 30 (Zn)). In another exemplary embodiment, M is a metalloid element.

  4. EXELFS of Metallic Glasses

    SciTech Connect (OSTI)

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

    1999-11-30

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

  5. Response Elements

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

    2007-07-11

    The Guide provides acceptable methods for meeting the requirement of DOE O 151.1C for response elements that respond or contribute to response as needed in an emergency. Supersedes DOE G 151.1-1, Volume 3-1, DOE G 151.1-1, Volume 3-2, DOE G 151.1-1, Volume 3-3, DOE G 151.1-1, Volume 3-4, DOE G 151.1-1, Volume 4-1, DOE G 151.1-1, Volume 4-2, DOE G 151.1-1, Volume 4-3, DOE G 151.1-1, Volume 4-4, DOE G 151.1-1, Volume 4-5, and DOE G 151.1-1, Volume 4-6.

  6. Applying Metal-Organic Frameworks in heterogeneous Catalyisis...

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

    Metal-Organic Frameworks in heterogeneous Catalyisis To control heterogeneous catalysis at atomic and electronic-level represents one of the most challenge research areas....

  7. The Modified Embedded Atom Method

    SciTech Connect (OSTI)

    Baskes, M.I.

    1994-08-01

    Recent modifications have been made to generalize the Embedded Atom Method (EAM) to describe bonding in diverse materials. By including angular dependence of the electron density in an empirical way, the Modified Embedded Atom Method (MEAM) has been able to reproduce the basic energetic and structural properties of 45 elements. This method is ideally suited for examining the interfacial behavior of dissimilar materials. This paper explains in detail the derivation of the method, shows how the parameters of the MEAM are determined directly from experiment or first principles calculations, and examines the quality of the reproduction of the database. Materials with fcc, bcc, hcp, and diamond cubic crystal structure are discussed. A few simple examples of the application of the MEAM to surfaces and interfaces are presented. Calculations of pullout of a SiC fiber in a diamond matrix as a function of applied stress show non-uniform deformation of the fiber.

  8. Metallization of electronic insulators

    DOE Patents [OSTI]

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

    1994-01-01

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

  9. Iowa Powder Atomization Technologies, Inc. | Department of Energy

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

    Iowa Powder Atomization Technologies, Inc. America's Next Top Energy Innovator Challenge 6067 likes Iowa Powder Atomization Technologies, Inc. Ames Laboratory Iowa Powder Atomization Technologies, Inc. (IPAT) aims to become a leading domestic titanium powder producer allowing for a paradigm shift in the cost of titanium powders for metal injection molding (MIM) feedstock. Decreasing this cost will create vast opportunities for aerospace, military, biomedical, and consumer applications. Titanium

  10. Applications of pulsed neutron powder diffraction to actinide elements. [Pu-Al

    SciTech Connect (OSTI)

    Lawson, A.C.; Richardson, J.W.; Mueller, M.H.; Lander, G.H.; Goldstone, J.A.; Williams, A.; Kwei, G.H.; Von Dreele, R.B.; Faber, J. Jr.; Hitterman, R.L.

    1987-11-01

    We have been using the technique of pulsed neutron powder diffraction to study several problems in the physics and chemistry of the actinide elements. In these elements one often encounters very complex structures resulting from polymorphic transformations presumably induced by the presence of 5f-electrons. For example, at least five distinct structures of plutonium metal are found between room temperature and its melting point of 640/sup 0/C, and two of the structures are monoclinc. The determination of the crystal structure of beta-uranium (tetragonal, 30 atoms per unit cell) which has finnaly been shown to be centrosymmetric, after decades of uncertainty is discussed. Some preliminary results on the structure of alpha-plutonium (which confirm Zachariasen's original determination of the monoclinic structure) are presented. Pu-Al alloys were also studied. 12 refs., 18 figs.

  11. THE ATOMIC WEIGHTS COMMISSION AND ISOTOPIC ABUNDANCE RATIO DETERMINATIONS.

    SciTech Connect (OSTI)

    HOLDEN, N.E.

    2005-08-07

    Following Thomson's discovery of stable isotopes in non-radioactive chemical elements, the derivation of atomic weight values from mass spectrometric measurements of isotopic abundance ratios moved very slowly. Forty years later, only 3 1/2 % of the recommended values were based on mass spectrometric measurements and only 38% in the first half century. It might be noted that two chemical elements (tellurium and mercury) are still based on chemical measurements, where the atomic weight value calculated from the relative isotopic abundance measurement either agrees with the value from the chemical measurement or the atomic weight value calculated from the relative isotopic abundance measurement falls within the uncertainty of the chemical measurement of the atomic weight. Of the 19 chemical elements, whose atomic weight is based on non-corrected relative isotopic abundance measurements, five of these are two isotope systems (indium, iridium, lanthanum, lutetium and tantalum) and one is a three-isotope system (oxygen).

  12. Ductile transplutonium metal alloys

    DOE Patents [OSTI]

    Conner, W.V.

    1981-10-09

    Alloys of Ce with transplutonium metals such as Am, Cm, Bk and Cf have properties making them highly suitable as souces of the transplutonium element, e.g., for use in radiation detector technology or as radiation sources. The alloys are ductile, homogeneous, easy to prepare and have a fairly high density.

  13. Ductile transplutonium metal alloys

    DOE Patents [OSTI]

    Conner, William V.

    1983-01-01

    Alloys of Ce with transplutonium metals such as Am, Cm, Bk and Cf have properties making them highly suitable as sources of the transplutonium element, e.g., for use in radiation detector technology or as radiation sources. The alloys are ductile, homogeneous, easy to prepare and have a fairly high density.

  14. Manhattan Project: Exploring the Atom, 1919-1932

    Office of Scientific and Technical Information (OSTI)

    The road to the atomic bomb began in earnest in 1919 with the first artificial transmutation of an element. The New Zealander Ernest Rutherford, working in the Cavendish Laboratory ...

  15. Atomic Energy Commission Takes Over Responsibility for all Atomic...

    National Nuclear Security Administration (NNSA)

    Takes Over Responsibility for all Atomic Energy Programs Atomic Energy Commission Takes Over Responsibility for all Atomic Energy Program Washington, DC In accordance with the ...

  16. Control of the Accumulation of Non-Process Elements in Pulp Mills with Bleach Filtrate Reuse: A Chemical Equilibrium Approach to Predicting the Partitioning of Metals in Pulp Mill and Bleach Plant Streams

    SciTech Connect (OSTI)

    Frederick, W.J. Jr.; Rudie, A.W.; Schmidl, G.W.; Sinquefield, S.A.; Rorrer, G.L.; Laver, M.L.; Yantasee, W.; Ming, D.

    2000-08-01

    The overall goal of this project was to develop fundamental, experimentally based methods for predicting the solubility or organic and inorganic matter and their interactions in recycled effluent from kraft pulp mills and bleach plants. This included: characterizing the capacity of wood pulp and dissolved organic matter to bind metal ions, developing a thermodynamic database of properties needed to describe the solubility of inorganic matter in pulp mill streams, incorporation of the database into equilibrium calculation software for predicting the solubility of the metals of interest, and evaluating its capability to predict the distribution of the metals between pulp fibers, inorganic precipitates, and solution.

  17. Photo-induced valence change of the sulfur atom in an L-cysteine thin film grown on a silver metal substrate in a saliva-emulated aqueous solution

    SciTech Connect (OSTI)

    Tsujibayashi, Toru; Azuma, Junpei; Yamamoto, Isamu; Takahashi, Kazutoshi; Kamada, Masao

    2015-04-27

    A thin film of L-cysteine (HSCH{sub 2}CH(NH{sub 2})COOH) is grown on a silver substrate in saliva-emulated aqueous solution. X-ray photoemission spectroscopic measurements have revealed that the sulfur atom shows valence change under IR laser irradiation at 825?nm. The valence change maintains for about a minute at room temperature and more than an hour between 110 and 250?K after stopping the laser irradiation. It is not observed at all at temperatures lower than 110?K. This temperature-dependent behavior indicates that the photo-excited electronic change should be accompanied by a conformational change in the L-cysteine molecule. It is strongly suggested that the reversible valence change of the sulfur atom is applicable to a memory used around room temperature.

  18. RECONDITIONING FUEL ELEMENTS

    DOE Patents [OSTI]

    Brandt, H.L.

    1962-02-20

    A process is given for decanning fuel elements that consist of a uranium core, an intermediate section either of bronze, silicon, Al-Si, and uranium silicide layers or of lead, Al-Si, and uranium silicide layers around said core, and an aluminum can bonded to said intermediate section. The aluminum can is dissolved in a solution of sodium hydroxide (9 to 20 wt%) and sodium nitrate (35 to 12 wt %), and the layers of the intermediate section are dissolved in a boiling sodium hydroxide solution of a minimum concentration of 50 wt%. (AEC) A method of selectively reducing plutonium oxides and the rare earth oxides but not uranium oxides is described which comprises placing the oxides in a molten solvent of zinc or cadmium and then adding metallic uranium as a reducing agent. (AEC)

  19. Element of an inductive coupler

    DOE Patents [OSTI]

    Hall, David R.; Fox, Joe

    2006-08-15

    An element for an inductive coupler in a downhole component comprises magnetically conductive material, which is disposed in a recess in annular housing. The magnetically conductive material forms a generally circular trough. The circular trough comprises an outer generally U-shaped surface, an inner generally U-shaped surface, and two generally planar surfaces joining the inner and outer surfaces. The element further comprises pressure relief grooves in at least one of the surfaces of the circular trough. The pressure relief grooves may be scored lines. Preferably the pressure relief grooves are parallel to the magnetic field generated by the magnetically conductive material. The magnetically conductive material is selected from the group consisting of soft iron, ferrite, a nickel iron alloy, a silicon iron alloy, a cobalt iron alloy, and a mu-metal. Preferably, the annular housing is a metal ring.

  20. Metal aminoboranes

    DOE Patents [OSTI]

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

    2010-05-11

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

  1. Comparative study of local atomic structures in Zr{sub 2}Cu{sub x}Ni{sub 1−x} (x = 0, 0.5, 1) metallic glasses

    SciTech Connect (OSTI)

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

    2015-11-21

    Extensive analysis has been performed to understand the key structural motifs accounting for the difference in glass forming ability in the Zr-Cu and Zr-Ni binary alloy systems. Here, the reliable atomic structure models of Zr{sub 2}Cu{sub x}Ni{sub 1−x} (x = 0, 0.5, 1) are constructed using the combination of X-ray diffraction experiments, ab initio molecular dynamics simulations and a constrained reverse Monte Carlo method. We observe a systematic variation of the interatomic distance of different atomic pairs with respect to the alloy composition. The ideal icosahedral content in all samples is limited, despite the high content of five-fold symmetry motifs. We also demonstrate that the population of Z-clusters in Zr{sub 2}Cu glass is much higher than that in the Zr{sub 2}Ni and Zr{sub 2}Cu{sub 0.5}Ni{sub 0.5} samples. And Z12 〈0, 0, 12, 0〉 Voronoi polyhedra clusters prefer to form around Cu atoms, while Ni-centered clusters are more like Z11 〈0, 2, 8, 1〉 clusters, which is less energetically stable compared to Z12 clusters. These two different structural properties may account for the higher glass forming ability of Zr{sub 2}Cu alloy than that of Zr{sub 2}Ni alloy.

  2. CORROSION RESISTANT JACKETED METAL BODY

    DOE Patents [OSTI]

    Brugmann, E.W.

    1958-08-26

    S>Metal jacketed metallic bodies of the type used as feel elements fer nuclear reactors are presented. The fuel element is comprised of a plurality of jacketed cylindrical bodies joined in end to end abutting relationship. The abutting ends of the internal fissionable bodies are provided with a mating screw and thread means for joining the two together. The jacket material is of a corrosion resistant metal and overlaps the abutting ends of the internal bodies, thereby effectively sealing these bodies from contact with exteral reactive gases and liquids.

  3. COMPARTMENTED REACTOR FUEL ELEMENT

    DOE Patents [OSTI]

    Cain, F.M. Jr.

    1962-09-11

    A method of making a nuclear reactor fuel element of the elongated red type is given wherein the fissionable fuel material is enclosed within a tubular metal cladding. The method comprises coating the metal cladding tube on its inside wall with a brazing alloy, inserting groups of cylindrical pellets of fissionable fuel material into the tube with spacing members between adjacent groups of pellets, sealing the ends of the tubes to leave a void space therewithin, heating the tube and its contents to an elevated temperature to melt the brazing alloy and to expand the pellets to their maximum dimensions under predetermined operating conditions thereby automatically positioning the spacing members along the tube, and finally cooling the tube to room temperature whereby the spacing disks become permanently fixed at their edges in the brazing alloy and define a hermetically sealed compartment for each fl group of fuel pellets. Upon cooling, the pellets contract thus leaving a space to accommodate thermal expansion of the pellets when in use in a reactor. The spacing members also provide lateral support for the tubular cladding to prevent collapse thereof when subjected to a reactor environment. (AEC)

  4. FUEL ELEMENTS FOR THERMAL-FISSION NUCLEAR REACTORS

    DOE Patents [OSTI]

    Flint, O.

    1961-01-10

    Fuel elements for thermal-fission nuclear reactors are described. The fuel element is comprised of a core of alumina, a film of a metal of the class consisting of copper, silver, and nickel on the outer face of the core, and a coating of an oxide of a metal isotope of the class consisting of Un/sup 235/, U/ sup 233/, and Pu/sup 239/ on the metal f ilm.

  5. Atomic Energy Commission : Atomic Power at Shippingport - 1958 Educational Film

    SciTech Connect (OSTI)

    2013-02-02

    The United States Atomic Energy Commission & Westinghouse Electric Company take us on a tour of an atomic power station.

  6. PARTICLE ACCELERATORS; 74 ATOMIC AND MOLECULAR PHYSICS; ATOMS...

    Office of Scientific and Technical Information (OSTI)

    74 ATOMIC AND MOLECULAR PHYSICS; ATOMS; ELECTRONS; HELIUM; LIGHT SOURCES; RADIATIONS; STORAGE RINGS; SYNCHROTRONS SYNCHROTRON RADIATION SYNCHROTRONLIGHT SOURCES QUANTUM CHAOS...

  7. Atomic Energy Commission : Atomic Power at Shippingport - 1958 Educational Film

    ScienceCinema (OSTI)

    None

    2014-07-31

    The United States Atomic Energy Commission & Westinghouse Electric Company take us on a tour of an atomic power station.

  8. Atomic Energy Commission Takes Over Responsibility for all Atomic Energy

    National Nuclear Security Administration (NNSA)

    Programs | National Nuclear Security Administration | (NNSA) Takes Over Responsibility for all Atomic Energy Programs Atomic Energy Commission Takes Over Responsibility for all Atomic Energy Program Washington, DC In accordance with the Atomic Energy Act of 1946, all atomic energy activities are transferred to the newly created Atomic Energy Commission

  9. Heavy Element Synthesis Reactions W. Loveland Oregon State University

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

    Reactions W. Loveland Oregon State University The role of ATLAS in helping us understand heavy element synthesis reactions and heavy element properties * Hot (E*=35-60 MeV) and Cold (E*=15 MeV) fusion reactions * Multi-nucleon transfer reactions * Fission * Atomic physics and chemistry of the heaviest elements * Structure of the heaviest nuclei The challenge of studying the heaviest elements at ATLAS * ATLAS beam time is oversubscribed * Low cross section studies - High luminosity - ATLAS has

  10. Plutonium metal exchange program : current status and statistical analysis

    SciTech Connect (OSTI)

    Tandon, L.; Eglin, J. L.; Michalak, S. E.; Picard, R. R.; Temer, D. J.

    2004-01-01

    The Rocky Flats Plutonium (Pu) Metal Sample Exchange program was conducted to insure the quality and intercomparability of measurements such as Pu assay, Pu isotopics, and impurity analyses. The Rocky Flats program was discontinued in 1989 after more than 30 years. In 2001, Los Alamos National Laboratory (LANL) reestablished the Pu Metal Exchange program. In addition to the Atomic Weapons Establishment (AWE) at Aldermaston, six Department of Energy (DOE) facilities Argonne East, Argonne West, Livermore, Los Alamos, New Brunswick Laboratory, and Savannah River are currently participating in the program. Plutonium metal samples are prepared and distributed to the sites for destructive measurements to determine elemental concentration, isotopic abundance, and both metallic and nonmetallic impurity levels. The program provides independent verification of analytical measurement capabilies for each participating facility and allows problems in analytical methods to be identified. The current status of the program will be discussed with emphasis on the unique statistical analysis and modeling of the data developed for the program. The discussion includes the definition of the consensus values for each analyte (in the presence and absence of anomalous values and/or censored values), and interesting features of the data and the results.

  11. High Temperature Ultrasonic Transducers for In-Service Inspection of Liquid Metal Fast Reactors

    SciTech Connect (OSTI)

    Griffin, Jeffrey W.; Posakony, Gerald J.; Harris, Robert V.; Baldwin, David L.; Jones, Anthony M.; Bond, Leonard J.

    2011-12-31

    In-service inspection of liquid metal (sodium) fast reactors requires the use of ultrasonic transducers capable of operating at high temperatures (>200°C), high gamma radiation fields, and the chemically reactive liquid sodium environment. In the early- to mid-1970s, the U.S. Atomic Energy Commission supported development of high-temperature, submersible single-element transducers, used for scanning and under-sodium imaging in the Fast Flux Test Facility and the Clinch River Breeder Reactor. Current work is building on this technology to develop the next generation of high-temperature linear ultrasonic transducer arrays for under-sodium viewing and in-service inspections.

  12. Determination of elements in ayurvedic medicinal plants by AAS

    SciTech Connect (OSTI)

    Teerthe, Santoshkumar S.; Kerur, B. R.

    2015-08-28

    India has a rich country for the uses of Ayurvedic medicinal plants for treatment and also the north- Karnataka boasts an unparallel diversity of medicinal plants. The present study attempts to estimate and compare the level of trace and heavy metals in some selected leaves and root samples of Ayurvedic medicinal plants such as Mg, Al, K, Cr, Mn, Fe, Cu, Zn, and Cd. The samples are collected from different places of North-Karnataka regions and sample solutions prepared as the ratio of 1:25:25+950ml=1000ppm.the trace and heavy elemental concentration was estimated using Atomic Absorption Spectrometric (AAS) Method. The average concentrations of Mg, Mn, Fe and Zn, are ranging from 2ppm to 5250.2ppm and potassium (K) has more concentration as compare to all other. The other elements likes Al, Cr, Cu, and Cd were also estimed and presented in the table. Therefore, these medicinal plants are rich in some essential minerals, especially K, Mg, Mn, Fe and Zn which are essential for human health.

  13. Metal-doped semiconductor nanoparticles and methods of synthesis thereof

    DOE Patents [OSTI]

    Ren, Zhifeng; Chen, Gang; Poudel, Bed; Kumar, Shankar; Wang, Wenzhong; Dresselhaus, Mildred

    2009-09-08

    The present invention generally relates to binary or higher order semiconductor nanoparticles doped with a metallic element, and thermoelectric compositions incorporating such nanoparticles. In one aspect, the present invention provides a thermoelectric composition comprising a plurality of nanoparticles each of which includes an alloy matrix formed of a Group IV element and Group VI element and a metallic dopant distributed within the matrix.

  14. The Harnessed Atom

    Broader source: Energy.gov [DOE]

    The Harnessed Atom is a new middle school science, technology, engineering, and math (STEM) curriculum extension that focuses on nuclear science and energy. It offers teachers accurate, unbiased,...

  15. Copper-silver-titanium filler metal for direct brazing of structural ceramics

    DOE Patents [OSTI]

    Moorhead, Arthur J.

    1987-01-01

    A method of joining ceramics and metals to themselves and to one another is described using a brazing filler metal consisting essentially of 35 to 50 atomic percent copper, 15 to 50 atomic percent silver and 10 to 45 atomic percent titanium. This method produces strong joints that can withstand high service temperatures and oxidizing environments.

  16. High-accuracy coupled cluster calculations of atomic properties

    SciTech Connect (OSTI)

    Borschevsky, A.; Yakobi, H.; Eliav, E.; Kaldor, U.

    2015-01-22

    The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm{sup −1}, the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues.

  17. Metal inks

    DOE Patents [OSTI]

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

    2014-02-04

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

  18. Element partitioning in combustion- and gasification-based waste-to-energy units

    SciTech Connect (OSTI)

    Arena, Umberto; Di Gregorio, Fabrizio

    2013-05-15

    Highlights: ? Element partitioning of waste-to-energy units by means of a substance flow analysis. ? A comparison between moving grate combustors and high temperature gasifiers. ? Classification of key elements according to their behavior during WtE processes. ? Slags and metals from waste gasifiers are completely and immediately recyclable. ? Potential reduction of amounts of solid residue to be sent to landfill disposal. - Abstract: A critical comparison between combustion- and gasification-based waste-to-energy systems needs a deep knowledge of the mass flows of materials and elements inside and throughout the units. The study collected and processed data from several moving grate conventional incinerators and high-temperature shaft gasifiers with direct melting, which are in operation worldwide. A material and substance flow analysis was then developed to systematically assess the flows and stocks of materials and elements within each waste-to-energy unit, by connecting the sources, pathways, and intermediate and final sinks of each species. The patterns of key elements, such as carbon, chloride and heavy metals, in the different solid and gaseous output streams of the two compared processes have been then defined. The combination of partitioning coefficients with the mass balances on atomic species and results of mineralogical characterization from recent literatures was used to estimate a composition of bottom ashes and slags from the two types of waste-to-energy technologies. The results also allow to quantify some of the performance parameters of the units and, in particular, the potential reduction of the amount of solid residues to be sent to final disposal.

  19. Modified Embedded Atom Method

    Energy Science and Technology Software Center (OSTI)

    2012-08-01

    Interatomic force and energy calculation subroutine to be used with the molecular dynamics simulation code LAMMPS (Ref a.). The code evaluated the total energy and atomic forces (energy gradient) according to a cubic spline-based variant (Ref b.) of the Modified Embedded Atom Method (MEAM) with a additional Stillinger-Weber (SW) contribution.

  20. Gas atomization synthesis of refractory or intermetallic compounds and supersaturated solid solutions

    DOE Patents [OSTI]

    Anderson, I.E.; Lograsso, B.K.; Ellis, T.W.

    1994-11-29

    A metallic melt is atomized using a high pressure atomizing gas wherein the temperature of the melt and the composition of the atomizing gas are selected such that the gas and melt react in the atomization spray zone to form a refractory or intermetallic compound in the as-atomized powder particles. A metallic melt is also atomized using a high pressure atomizing gas mixture gas wherein the temperature of the melt and the ratio of a reactive gas to a carrier gas are selected to form powder particles comprising a supersaturated solid solution of the atomic species of the reactive gas in the particles. The powder particles are then heat treated to precipitate dispersoids in-situ therein to form a dispersion strengthened material. 9 figures.

  1. Gas atomization synthesis of refractory or intermetallic compounds and supersaturated solid solutions

    DOE Patents [OSTI]

    Anderson, Iver E.; Lograsso, Barbara K.; Ellis, Timothy W.

    1994-01-01

    A metallic melt is atomized using a high pressure atomizing gas wherein the temperature of the melt and the composition of the atomizing gas are selected such that the gas and melt react in the atomization spray zone to form a refractory or intermetallic compound in the as-atomized powder particles. A metallic melt is also atomized using a high pressure atomizing gas mixture gas wherein the temperature of the melt and the ratio of a reactive gas to a carrier gas are selected to form powder particles comprising a supersaturated solid solution of the atomic species of the reactive gas in the particles. The powder particles are then heat treated to precipitate dispersoids in-situ therein to form a dispersion strengthened material.

  2. METAL PHTHALOCYANINES

    DOE Patents [OSTI]

    Frigerio, N.A.

    1962-03-27

    A process is given for preparing heavy metal phthalocyanines, sulfonated or not. The process comprises mixing an inorganic metal salt with dimethyl formamide or methyl sulfoxide; separating the metal complex formed from the solution; mixing the complex with an equimolar amount of sodium, potassium, lithium, magnesium, or beryllium sulfonated or unsulfonated phthalocyanine whereby heavy-metal phthalocyanine crystals are formed; and separating the crystals from the solution. Uranyl, thorium, lead, hafnium, and lanthanide rare earth phthalocyanines can be produced by the process. (AEC)

  3. Atomic Structure Calculations from the Los Alamos Atomic Physics Codes

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

    Cowan, R. D.

    The well known Hartree-Fock method of R.D. Cowan, developed at Los Alamos National Laboratory, is used for the atomic structure calculations. Electron impact excitation cross sections are calculated using either the distorted wave approximation (DWA) or the first order many body theory (FOMBT). Electron impact ionization cross sections can be calculated using the scaled hydrogenic method developed by Sampson and co-workers, the binary encounter method or the distorted wave method. Photoionization cross sections and, where appropriate, autoionizations are also calculated. Original manuals for the atomic structure code, the collisional excitation code, and the ionization code, are available from this website. Using the specialized interface, you will be able to define the ionization stage of an element and pick the initial and final configurations. You will be led through a series of web pages ending with a display of results in the form of cross sections, collision strengths or rates coefficients. Results are available in tabular and graphic form.

  4. First principles DFT study of ferromagnetism in SnO{sub 2} induced by doped group 1A and 2A non-magnetic elements X (X=Li, Na, K, Be, Mg, Ca)

    SciTech Connect (OSTI)

    Chakraborty, Brahmananda Ramaniah, Lavanya M.

    2014-04-24

    Transition metal - free - ferromagnetism in diluted magnetic semiconductors (DMS) is of much current interest in the search for more efficient DMS materials for spintronic applications. Here, we report the results of our first principles density functional theory (DFT) study on impurity - induced ferromagnetism in non-magnetic SnO{sub 2} by a non-magnetic impurity. The impurities considered are sp-type of group 1A and 2A elements X (X = Li, Na, K, Be, Mg, Ca). Even a single atom of the group 1A elements makes the system magnetic, whereas for the group 2A elements Ca and Mg, a higher doping is required to induce ferromagnetism. For all the elements studied, the magnetic moment appears to increase with the doping concentration, at least at certain impurity separations, which is a positive indicator for practical applications.

  5. Silicone metalization

    DOE Patents [OSTI]

    Maghribi, Mariam N.; Krulevitch, Peter; Hamilton, Julie

    2006-12-05

    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.

  6. Silicone metalization

    DOE Patents [OSTI]

    Maghribi, Mariam N.; Krulevitch, Peter; Hamilton, Julie

    2008-12-09

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

  7. Rare Earth Metals for Science | The Ames Laboratory

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

    Rare Earth Metals for Science The Ames Laboratory has been actively involved in the ... More information on the rare-earth elements Quantities of high-purity rare earth metals ...

  8. Amorphous metal alloy

    DOE Patents [OSTI]

    Wang, R.; Merz, M.D.

    1980-04-09

    Amorphous metal alloys of the iron-chromium and nickel-chromium type have excellent corrosion resistance and high temperature stability and are suitable for use as a protective coating on less corrosion resistant substrates. The alloys are stabilized in the amorphous state by one or more elements of titanium, zirconium, hafnium, niobium, tantalum, molybdenum, and tungsten. The alloy is preferably prepared by sputter deposition.

  9. Protected Nuclear Fuel Element

    DOE Patents [OSTI]

    Kittel, J. H.; Schumar, J. F.

    1962-12-01

    A stainless steel-clad actinide metal fuel rod for use in fast reactors is reported. In order to prevert cladding failures due to alloy formation between the actinide metal and the stainless steel, a mesh-like sleeve of expanded metal is interposed between them, the sleeve metal being of niobium, tantalum, molybdenum, tungsten, zirconium, or vanadium. Liquid alkali metal is added as a heat transfer agent. (AEC)

  10. Metal-silicane: Stability and properties

    SciTech Connect (OSTI)

    Yang, Huan-Cheng; Wang, Jing, E-mail: jwang@hebtu.edu.cn [Department of Physics and Hebei Advanced Thin Film Laboratory, Hebei Normal University, Shijiazhuang 050024 (China); Liu, Ying [Department of Physics and Hebei Advanced Thin Film Laboratory, Hebei Normal University, Shijiazhuang 050024 (China); National Key Laboratory for Materials Simulation and Design, Beijing 100083 (China)

    2014-08-28

    The decoration of silicane using 16 different metal adatoms and the adsorption of small molecules are studied using first-principles calculations. Of the 16 metal adatoms, Li, Na, K, Ca, In, and Sc show a larger binding energy with silicane than their corresponding cohesive energy in the bulk, which suggests they can form 2D layers on the surface of silicane. The band analysis indicates that decoration with metal atoms can effectively tailor the electronic properties of silicane. The adsorption for hydrogen and carbon monoxide on Li-silicane system demonstrates that each Li atom can adsorb a maximum of five H{sub 2} or four CO molecules with the average adsorption energy of 0.18 and 0.23 eV/atom, respectively. The calculated results suggest that metal-silicane systems can provide more information for applications as hydrogen-storage or environment-protection materials.